smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012533029 209969903 /nfs/dbraw/zinc/96/99/03/209969903.db2.gz CHHRAGPFYVCABN-ACUNGTFPSA-N 0 0 383.278 5.307 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cccc(OCc3ccccc3F)c2)C2CC2)cc1 ZINC000012166020 209914776 /nfs/dbraw/zinc/91/47/76/209914776.db2.gz NSRVXPDTNYYGKK-UHFFFAOYSA-N 0 0 389.470 5.518 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000011914620 209891714 /nfs/dbraw/zinc/89/17/14/209891714.db2.gz IFCRPAIVYKJRMJ-UHFFFAOYSA-N 0 0 376.843 5.637 50 0 GKAARN Cc1ccc(N(Cc2cccs2)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000011914560 209891868 /nfs/dbraw/zinc/89/18/68/209891868.db2.gz BOUOCAUERYVDII-UHFFFAOYSA-N 0 0 399.943 5.939 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC=CC[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000257349629 222779373 /nfs/dbraw/zinc/77/93/73/222779373.db2.gz PMRDJYSYMUJMKE-CVTNHUBSSA-N 0 0 396.659 7.475 50 0 GKAARN CC(C)c1ccc(Cc2cnc(NC(=O)[C@H]3COc4ccccc4C3)s2)cc1 ZINC000011689964 209878689 /nfs/dbraw/zinc/87/86/89/209878689.db2.gz IYZLSUUTLWJADD-LJQANCHMSA-N 0 0 392.524 5.047 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257347995 222779923 /nfs/dbraw/zinc/77/99/23/222779923.db2.gz AHWOEMBXZXGDBQ-XTEPJPRDSA-N 0 0 396.659 7.619 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000010493185 209861856 /nfs/dbraw/zinc/86/18/56/209861856.db2.gz BAJMVFSLDJFCJC-KRWDZBQOSA-N 0 0 392.842 5.197 50 0 GKAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3Cl)s2)cs1 ZINC000010105327 209853823 /nfs/dbraw/zinc/85/38/23/209853823.db2.gz ZTMQYTHHBIPICV-UHFFFAOYSA-N 0 0 383.325 5.417 50 0 GKAARN CCCCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000009846137 209847184 /nfs/dbraw/zinc/84/71/84/209847184.db2.gz FNYLNNQEXSWIIQ-UHFFFAOYSA-N 0 0 399.947 5.983 50 0 GKAARN CCCCc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 ZINC000009597418 209837509 /nfs/dbraw/zinc/83/75/09/209837509.db2.gz LRLZITRYGSNKGU-UHFFFAOYSA-N 0 0 390.577 7.252 50 0 GKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1cccc(F)c1 ZINC000009575387 209835105 /nfs/dbraw/zinc/83/51/05/209835105.db2.gz IREOUWFPBCJRSJ-LJQANCHMSA-N 0 0 393.462 5.622 50 0 GKAARN Cc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1NC(=O)c1ccco1 ZINC000009516501 209831828 /nfs/dbraw/zinc/83/18/28/209831828.db2.gz ROWLCQHXPQISDM-HNNXBMFYSA-N 0 0 388.423 5.078 50 0 GKAARN CC(C)OCc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)cc1 ZINC000009515312 209831380 /nfs/dbraw/zinc/83/13/80/209831380.db2.gz UBAHKXXEVRMUMN-UHFFFAOYSA-N 0 0 391.496 5.469 50 0 GKAARN Cc1cc(C)cc(OCC(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)c1 ZINC000009431914 209830233 /nfs/dbraw/zinc/83/02/33/209830233.db2.gz BVBZYTNPZMJGCM-UHFFFAOYSA-N 0 0 383.875 5.158 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)cc1 ZINC000009122339 209813780 /nfs/dbraw/zinc/81/37/80/209813780.db2.gz IBXHVLOZVZBTLC-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN COc1cccc([C@H]2CC(C)=NN2c2nc(-c3ccccc3)cs2)c1OC ZINC000008992371 209809482 /nfs/dbraw/zinc/80/94/82/209809482.db2.gz NXCLBLYTMXHFCX-GOSISDBHSA-N 0 0 379.485 5.155 50 0 GKAARN Cc1ccc2c(CC(=O)Nc3nnc(SCc4ccccc4)s3)coc2c1 ZINC000008756612 209800125 /nfs/dbraw/zinc/80/01/25/209800125.db2.gz ARBSJNYVWMRGOL-UHFFFAOYSA-N 0 0 395.509 5.066 50 0 GKAARN CCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nnc1-c1ccccc1 ZINC000008746589 209797984 /nfs/dbraw/zinc/79/79/84/209797984.db2.gz LPORKEYZOJWUEX-ZDUSSCGKSA-N 0 0 399.470 5.563 50 0 GKAARN COc1c(C)cnc(-c2sc(Nc3ccccc3)nc2-c2ccccc2)c1C ZINC000008715589 209794726 /nfs/dbraw/zinc/79/47/26/209794726.db2.gz YSUZFCMKLDNQHG-UHFFFAOYSA-N 0 0 387.508 6.241 50 0 GKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)sc2nc(-c3ccccc3)cn12 ZINC000008583852 209786886 /nfs/dbraw/zinc/78/68/86/209786886.db2.gz MUXOFTUXDXUBFK-UHFFFAOYSA-N 0 0 381.888 5.585 50 0 GKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1 ZINC000008599845 209787672 /nfs/dbraw/zinc/78/76/72/209787672.db2.gz FEFUHDSAMRLFFM-VWLOTQADSA-N 0 0 380.491 5.573 50 0 GKAARN CCCOc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008586666 209786842 /nfs/dbraw/zinc/78/68/42/209786842.db2.gz VVZYVJKDOCKPTC-UHFFFAOYSA-N 0 0 380.513 5.105 50 0 GKAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cc(F)ccc1Br ZINC000008249480 209770348 /nfs/dbraw/zinc/77/03/48/209770348.db2.gz PVZSXAFTRROKLI-UHFFFAOYSA-N 0 0 382.232 5.412 50 0 GKAARN COCCn1c(SCc2cccc(Cl)c2)nnc1-c1c[nH]c2ccccc21 ZINC000008206242 209767954 /nfs/dbraw/zinc/76/79/54/209767954.db2.gz INEXPUPHPJSVRI-UHFFFAOYSA-N 0 0 398.919 5.019 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000008075778 209761463 /nfs/dbraw/zinc/76/14/63/209761463.db2.gz BZOJLNWXOSYGDA-UHFFFAOYSA-N 0 0 397.478 5.168 50 0 GKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935687 209708616 /nfs/dbraw/zinc/70/86/16/209708616.db2.gz GPIZIWKFNVFJRI-YJBOKZPZSA-N 0 0 385.939 5.238 50 0 GKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)cc1Cl ZINC000006902034 209706642 /nfs/dbraw/zinc/70/66/42/209706642.db2.gz HIUGTGSFKZBFTG-UHFFFAOYSA-N 0 0 399.947 5.463 50 0 GKAARN O=C1OC(c2ccccc2F)=NC1=CNc1cc(Cl)c(Cl)cc1Cl ZINC000006884722 209703568 /nfs/dbraw/zinc/70/35/68/209703568.db2.gz CRWOFXRMLKYZAR-AUWJEWJLSA-N 0 0 385.609 5.043 50 0 GKAARN CCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2C)c1 ZINC000006839197 209696712 /nfs/dbraw/zinc/69/67/12/209696712.db2.gz NMZYJWPHALKFSM-NRFANRHFSA-N 0 0 386.492 5.041 50 0 GKAARN Cc1cccc(-n2c(Oc3ccc(Cl)cc3)nc3ccccc3c2=O)c1C ZINC000006850695 209696803 /nfs/dbraw/zinc/69/68/03/209696803.db2.gz RRNSEXRKJSLARM-UHFFFAOYSA-N 0 0 376.843 5.448 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CC(C)(C)C)c2)cc1 ZINC000006836240 209695040 /nfs/dbraw/zinc/69/50/40/209695040.db2.gz SUTJQWFOBSHZMO-OAQYLSRUSA-N 0 0 382.529 5.148 50 0 GKAARN Cc1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)c1C ZINC000006768967 209683261 /nfs/dbraw/zinc/68/32/61/209683261.db2.gz VHDFDODRGOAICF-UHFFFAOYSA-N 0 0 379.529 5.356 50 0 GKAARN CC(C)NC(=O)c1c(C(C)C)nn(-c2ccc(Cl)c(Cl)c2)c1C(C)C ZINC000006770783 209683020 /nfs/dbraw/zinc/68/30/20/209683020.db2.gz DWDLZRSQENJBSO-UHFFFAOYSA-N 0 0 382.335 5.564 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccco1)Cc1ccccc1Cl ZINC000006810696 209691089 /nfs/dbraw/zinc/69/10/89/209691089.db2.gz IAKPRPVMWRLWEI-UHFFFAOYSA-N 0 0 379.843 5.830 50 0 GKAARN O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCCc2ccccc21 ZINC000006808482 209690637 /nfs/dbraw/zinc/69/06/37/209690637.db2.gz ZNJSAVAICAJAJX-UHFFFAOYSA-N 0 0 397.952 6.267 50 0 GKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccc(C)cc4)oc3ccc2O1 ZINC000006808118 209690578 /nfs/dbraw/zinc/69/05/78/209690578.db2.gz KTLDRLIIWIUNKN-QHCPKHFHSA-N 0 0 377.440 5.436 50 0 GKAARN CCc1ccc(CN(Cc2ccco2)C(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000006747441 209677865 /nfs/dbraw/zinc/67/78/65/209677865.db2.gz UPMNZDVDYWDDEO-UHFFFAOYSA-N 0 0 391.511 5.375 50 0 GKAARN Cc1ccc(Cn2c3cnccc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000006752341 209679358 /nfs/dbraw/zinc/67/93/58/209679358.db2.gz WCZBGIZAMZAJKW-UHFFFAOYSA-N 0 0 397.906 5.873 50 0 GKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CC(C)(C)C)cc2)c1C ZINC000006733996 209674647 /nfs/dbraw/zinc/67/46/47/209674647.db2.gz PRYJZELJFOBCKQ-JOCHJYFZSA-N 0 0 396.556 5.457 50 0 GKAARN Cc1cccc(-c2nc3ccccc3c(=O)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000006720530 209673921 /nfs/dbraw/zinc/67/39/21/209673921.db2.gz DHKNDFYQNSDRGE-UHFFFAOYSA-N 0 0 382.507 5.718 50 0 GKAARN CCCCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000006704794 209670373 /nfs/dbraw/zinc/67/03/73/209670373.db2.gz RLZFWTBZLBLSRJ-IBGZPJMESA-N 0 0 392.499 5.115 50 0 GKAARN COc1ccc(-c2nnn3c2nc(N[C@H](C)c2ccccc2)c2ccccc23)cc1 ZINC000006738867 209676503 /nfs/dbraw/zinc/67/65/03/209676503.db2.gz LZTNSOMQZXMKIL-MRXNPFEDSA-N 0 0 395.466 5.126 50 0 GKAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000006583454 209658233 /nfs/dbraw/zinc/65/82/33/209658233.db2.gz DUYZMHASNIBUCY-UHFFFAOYSA-N 0 0 379.510 5.218 50 0 GKAARN Cc1ccc(C)c(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 ZINC000006531549 209654584 /nfs/dbraw/zinc/65/45/84/209654584.db2.gz JCSNXAUOVXEQSL-UHFFFAOYSA-N 0 0 386.524 5.298 50 0 GKAARN COc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1OC ZINC000006259103 209641065 /nfs/dbraw/zinc/64/10/65/209641065.db2.gz JZBCCRBRMQDUNY-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN CC(C)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000006085098 209628764 /nfs/dbraw/zinc/62/87/64/209628764.db2.gz XZAPLCYYNSRNQL-UHFFFAOYSA-N 0 0 376.934 5.804 50 0 GKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1 ZINC000006048145 209627254 /nfs/dbraw/zinc/62/72/54/209627254.db2.gz OVBSBQHWACGNJH-LADGPHEKSA-N 0 0 376.500 5.535 50 0 GKAARN Clc1ccccc1OCCSc1nc2ccccc2n1-c1ccccc1 ZINC000006025719 209626925 /nfs/dbraw/zinc/62/69/25/209626925.db2.gz HLXPPFRCWKYLGV-UHFFFAOYSA-N 0 0 380.900 5.850 50 0 GKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4C)ccc3Cl)oc2c(C)c1 ZINC000005815675 209616886 /nfs/dbraw/zinc/61/68/86/209616886.db2.gz BJNMPGBCUMBCSQ-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN Cc1ccc(C)c(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)c1 ZINC000005793452 209615135 /nfs/dbraw/zinc/61/51/35/209615135.db2.gz HSFZQBMXUQFBFL-UHFFFAOYSA-N 0 0 388.536 5.614 50 0 GKAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005685367 209610187 /nfs/dbraw/zinc/61/01/87/209610187.db2.gz YSHSJOOFCXQFRM-INIZCTEOSA-N 0 0 387.323 5.532 50 0 GKAARN Cc1ccc(-c2nc3cc(NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1C ZINC000005684427 209609057 /nfs/dbraw/zinc/60/90/57/209609057.db2.gz NGZLNTDSKBVVFB-UHFFFAOYSA-N 0 0 383.662 5.420 50 0 GKAARN CCC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000005477678 209597686 /nfs/dbraw/zinc/59/76/86/209597686.db2.gz OFMJZYIIMKTKNQ-UHFFFAOYSA-N 0 0 382.507 6.312 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000005235927 209581733 /nfs/dbraw/zinc/58/17/33/209581733.db2.gz UNQFDYTZPPIOKO-FQEVSTJZSA-N 0 0 389.543 5.754 50 0 GKAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2C(=O)Nc2cc(C)ccc2C)c1 ZINC000005205848 209580189 /nfs/dbraw/zinc/58/01/89/209580189.db2.gz YFYBLLZXDRLLSY-UHFFFAOYSA-N 0 0 387.483 5.817 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccc(F)c1 ZINC000005174202 209577332 /nfs/dbraw/zinc/57/73/32/209577332.db2.gz AYSAZBLYRKENDW-UHFFFAOYSA-N 0 0 384.769 5.679 50 0 GKAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)c(C)c1 ZINC000005131957 209572998 /nfs/dbraw/zinc/57/29/98/209572998.db2.gz BTKLRCORGFSZFE-UHFFFAOYSA-N 0 0 388.492 5.581 50 0 GKAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000005093343 209569036 /nfs/dbraw/zinc/56/90/36/209569036.db2.gz UZQQLPFPSUWSAD-FMIVXFBMSA-N 0 0 388.858 5.034 50 0 GKAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c(N2CCCC2)n1 ZINC000005047488 209562998 /nfs/dbraw/zinc/56/29/98/209562998.db2.gz XQAHRYJBOHCKAO-UHFFFAOYSA-N 0 0 398.601 5.249 50 0 GKAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(c1ccccc1)C3=O ZINC000005051001 209562321 /nfs/dbraw/zinc/56/23/21/209562321.db2.gz DHBIQZMZJZHNTA-QFIPXVFZSA-N 0 0 381.431 5.160 50 0 GKAARN COc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccccc3F)C2)cc1 ZINC000005073992 209566951 /nfs/dbraw/zinc/56/69/51/209566951.db2.gz GFBOARCNIHKMEV-JOCHJYFZSA-N 0 0 380.850 5.843 50 0 GKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1ccc(C)c(C)c1 ZINC000004939419 209549792 /nfs/dbraw/zinc/54/97/92/209549792.db2.gz BLGPJVMVQIJAEL-UHFFFAOYSA-N 0 0 391.492 5.600 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938238 209549709 /nfs/dbraw/zinc/54/97/09/209549709.db2.gz NFCBCIHBGKZEMF-UHFFFAOYSA-N 0 0 382.872 5.672 50 0 GKAARN C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004912174 209544522 /nfs/dbraw/zinc/54/45/22/209544522.db2.gz NERFKCFNRRSNBD-DKRLNXSXSA-N 0 0 379.500 5.266 50 0 GKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2Cc2ccccc2Cl)c1 ZINC000004914469 209544058 /nfs/dbraw/zinc/54/40/58/209544058.db2.gz XBPCDTNSFBYOIU-UHFFFAOYSA-N 0 0 393.943 6.042 50 0 GKAARN Fc1ccc(CSc2nc3ccncc3n2Cc2ccc(Cl)cc2)cc1 ZINC000004914278 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/nfs/dbraw/zinc/38/95/88/209389588.db2.gz LCNMACSKZWKBDD-UHFFFAOYSA-N 0 0 390.552 6.672 50 0 GKAARN Cc1cccc(NC(=O)CSc2nccc(-c3ccc(Cl)cc3)n2)c1C ZINC000002806397 209388884 /nfs/dbraw/zinc/38/88/84/209388884.db2.gz IVYKEUYHGBWXSY-UHFFFAOYSA-N 0 0 383.904 5.145 50 0 GKAARN CCn1cc(-c2cc(C(=O)N[C@H](C)CCCC(C)C)c3ccccc3n2)cn1 ZINC000002808789 209387731 /nfs/dbraw/zinc/38/77/31/209387731.db2.gz CZNOBEGWVFORED-QGZVFWFLSA-N 0 0 378.520 5.063 50 0 GKAARN O=C(CSCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002534648 209369745 /nfs/dbraw/zinc/36/97/45/209369745.db2.gz VNMIMCJHHWECDE-UHFFFAOYSA-N 0 0 399.364 5.525 50 0 GKAARN Clc1ccc(CSc2nsc(SCc3ccc(Cl)cc3)n2)cc1 ZINC000002577707 209369469 /nfs/dbraw/zinc/36/94/69/209369469.db2.gz BZFSLWNLOURZHS-UHFFFAOYSA-N 0 0 399.393 6.430 50 0 GKAARN O=C(CCSc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002531680 209368275 /nfs/dbraw/zinc/36/82/75/209368275.db2.gz SHADSSKZBCTFJX-UHFFFAOYSA-N 0 0 397.337 6.481 50 0 GKAARN Cc1ccc2oc(=O)c(-c3cccc(Br)c3)c(-c3ccccc3)c2c1 ZINC000002529943 209367679 /nfs/dbraw/zinc/36/76/79/209367679.db2.gz ZQWYTIFOSBLXBC-UHFFFAOYSA-N 0 0 391.264 6.198 50 0 GKAARN O=C(C[C@H](Nc1cccc2c1-c1ccccc1C2)c1ccccc1)c1ccccc1 ZINC000002464447 209365692 /nfs/dbraw/zinc/36/56/92/209365692.db2.gz QDGQYMSQCLIEBB-SANMLTNESA-N 0 0 389.498 6.684 50 0 GKAARN Cc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002450631 209365228 /nfs/dbraw/zinc/36/52/28/209365228.db2.gz NHBORRASNGJUEU-XMMPIXPASA-N 0 0 391.486 6.082 50 0 GKAARN CC[C@@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002461096 209365005 /nfs/dbraw/zinc/36/50/05/209365005.db2.gz UTCDTOQAKLRHJG-LLVKDONJSA-N 0 0 397.905 5.311 50 0 GKAARN CC(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000002429776 209364157 /nfs/dbraw/zinc/36/41/57/209364157.db2.gz XAHLVZDGMVEWKM-UHFFFAOYSA-N 0 0 387.936 5.337 50 0 GKAARN O=C(Nc1ccccc1Cl)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000002768916 209383980 /nfs/dbraw/zinc/38/39/80/209383980.db2.gz SWJGXBQEOWHNQZ-UHFFFAOYSA-N 0 0 387.866 6.325 50 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O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccccc1 ZINC000002749913 209382195 /nfs/dbraw/zinc/38/21/95/209382195.db2.gz RKNFOVMFGLFMKE-UHFFFAOYSA-N 0 0 379.485 5.067 50 0 GKAARN Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)Cc2ccccc2)cc1 ZINC000002762558 209382237 /nfs/dbraw/zinc/38/22/37/209382237.db2.gz LYJPSMQSSDKXFS-UHFFFAOYSA-N 0 0 378.859 5.082 50 0 GKAARN COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)c1ccc(C)o1 ZINC000002761581 209382257 /nfs/dbraw/zinc/38/22/57/209382257.db2.gz JVCMPMBBBZQLNW-UHFFFAOYSA-N 0 0 391.448 5.509 50 0 GKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000002755933 209382045 /nfs/dbraw/zinc/38/20/45/209382045.db2.gz ABBZYFNZUIDGAC-UHFFFAOYSA-N 0 0 393.097 6.098 50 0 GKAARN CCc1ccccc1-n1nc(-c2ccc(C)c(C)c2)cc1-c1ccc(C)c(C)c1 ZINC000002733579 209381413 /nfs/dbraw/zinc/38/14/13/209381413.db2.gz TZEOXIVUGYEXNR-UHFFFAOYSA-N 0 0 380.535 7.002 50 0 GKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1c(Cl)cccc1Cl ZINC000002747668 209381284 /nfs/dbraw/zinc/38/12/84/209381284.db2.gz VBICYJGTAWLEBB-UHFFFAOYSA-N 0 0 393.097 6.098 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CC[C@H](CC)C2 ZINC000002737410 209381315 /nfs/dbraw/zinc/38/13/15/209381315.db2.gz NLMNNYLMYUBNHC-BYIUCRAPSA-N 0 0 397.540 5.400 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1 ZINC000002747576 209381027 /nfs/dbraw/zinc/38/10/27/209381027.db2.gz CWRGWQVAGCCNPX-UHFFFAOYSA-N 0 0 378.475 5.409 50 0 GKAARN Fc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002747911 209380822 /nfs/dbraw/zinc/38/08/22/209380822.db2.gz RNBUUCMQCORKNL-OAHLLOKOSA-N 0 0 387.332 5.577 50 0 GKAARN CCc1c(-c2ccc(OC)cc2)nn(-c2cccc(C)c2)c1-c1ccc(OC)cc1 ZINC000002733339 209380901 /nfs/dbraw/zinc/38/09/01/209380901.db2.gz NWJDNAUQVHVJIX-UHFFFAOYSA-N 0 0 398.506 6.094 50 0 GKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(Cl)cc2)n1 ZINC000002733591 209380601 /nfs/dbraw/zinc/38/06/01/209380601.db2.gz CMHLAVUHOCNJJV-UHFFFAOYSA-N 0 0 390.870 5.877 50 0 GKAARN CCOc1ccc(C(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)cc1OCC ZINC000002728006 209380245 /nfs/dbraw/zinc/38/02/45/209380245.db2.gz HGYABZHHERNCEU-DYESRHJHSA-N 0 0 393.508 5.100 50 0 GKAARN CC(C)CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000002721626 209380283 /nfs/dbraw/zinc/38/02/83/209380283.db2.gz ZVYKCEDYQFSLQO-UHFFFAOYSA-N 0 0 391.489 5.062 50 0 GKAARN CC[C@@H](C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000002721756 209379987 /nfs/dbraw/zinc/37/99/87/209379987.db2.gz FTKSUQLQDRFJSD-LLVKDONJSA-N 0 0 397.518 5.266 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c(C)c1 ZINC000002723715 209379474 /nfs/dbraw/zinc/37/94/74/209379474.db2.gz XFNOPIBPRSWZKN-UHFFFAOYSA-N 0 0 385.920 5.182 50 0 GKAARN CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1 ZINC000002690571 209378663 /nfs/dbraw/zinc/37/86/63/209378663.db2.gz RGJZPUFKYWGMIX-UHFFFAOYSA-N 0 0 397.453 5.789 50 0 GKAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCCC2)cc1 ZINC000002714444 209378386 /nfs/dbraw/zinc/37/83/86/209378386.db2.gz YNFWVZOWEYBYML-UHFFFAOYSA-N 0 0 388.902 5.731 50 0 GKAARN CCOc1ccc(-c2nnc3c4cc(C)ccc4n(Cc4ccccc4)cc2-3)cc1 ZINC000002689426 209378203 /nfs/dbraw/zinc/37/82/03/209378203.db2.gz SHQKZWBFCOXGNV-UHFFFAOYSA-N 0 0 393.490 5.959 50 0 GKAARN Cc1oc(-c2ccccc2Cl)cc1-c1nn2c(nnc2-c2ccco2)s1 ZINC000002706918 209378063 /nfs/dbraw/zinc/37/80/63/209378063.db2.gz CANBSSIQYMZPMD-UHFFFAOYSA-N 0 0 382.832 5.335 50 0 GKAARN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000002663310 209377114 /nfs/dbraw/zinc/37/71/14/209377114.db2.gz BJIOAWNHFGIXMP-UHFFFAOYSA-N 0 0 396.490 5.590 50 0 GKAARN Cc1cccc(Cc2cnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)c1 ZINC000002669179 209376832 /nfs/dbraw/zinc/37/68/32/209376832.db2.gz QBELFQXEQVIBDF-UHFFFAOYSA-N 0 0 398.531 5.813 50 0 GKAARN Cc1ccc(CNc2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc32)cc1 ZINC000002688981 209376301 /nfs/dbraw/zinc/37/63/01/209376301.db2.gz FQNNUIHFJDIBCS-UHFFFAOYSA-N 0 0 399.885 5.518 50 0 GKAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc(F)cc1 ZINC000002658060 209375352 /nfs/dbraw/zinc/37/53/52/209375352.db2.gz IORANQOAGANCQS-UHFFFAOYSA-N 0 0 382.489 5.037 50 0 GKAARN Cc1nc(-c2cccc(NC(=O)c3sc(-c4ccccc4)nc3C)c2)cs1 ZINC000002647511 209375225 /nfs/dbraw/zinc/37/52/25/209375225.db2.gz JYYGDHUDVPQYMF-UHFFFAOYSA-N 0 0 391.521 5.803 50 0 GKAARN COc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C(C)C)cc1 ZINC000002640655 209374299 /nfs/dbraw/zinc/37/42/99/209374299.db2.gz IACQADMULBBNMB-UHFFFAOYSA-N 0 0 396.541 5.437 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000002638603 209373777 /nfs/dbraw/zinc/37/37/77/209373777.db2.gz BPYXROHZAATHDH-UHFFFAOYSA-N 0 0 398.409 6.234 50 0 GKAARN Cc1cccc(C)c1NC(=O)CCCSc1nnc2sc3ccccc3n12 ZINC000002644136 209373698 /nfs/dbraw/zinc/37/36/98/209373698.db2.gz XVVJOGLOWUWTIB-UHFFFAOYSA-N 0 0 396.541 5.072 50 0 GKAARN O=C(Cc1ccc(Cl)cc1Cl)OCc1csc(-c2ccccc2)n1 ZINC000002635150 209373216 /nfs/dbraw/zinc/37/32/16/209373216.db2.gz KDIOVYBSZHSIBM-UHFFFAOYSA-N 0 0 378.280 5.403 50 0 GKAARN COc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl ZINC000002633999 209372961 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ZINC000002088366 209346200 /nfs/dbraw/zinc/34/62/00/209346200.db2.gz IVRFDMGLGAKAER-UHFFFAOYSA-N 0 0 394.540 6.147 50 0 GKAARN Cc1cccc2c(C(=O)Nc3cccc4ccccc43)cc(-c3ccccc3)nc12 ZINC000002078830 209346247 /nfs/dbraw/zinc/34/62/47/209346247.db2.gz IPXHPXWIYODGNV-UHFFFAOYSA-N 0 0 388.470 6.616 50 0 GKAARN CCc1c(C)c2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2oc1=O ZINC000002091142 209346309 /nfs/dbraw/zinc/34/63/09/209346309.db2.gz NGOHWKPYSVPODA-UHFFFAOYSA-N 0 0 398.458 5.593 50 0 biogenic GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c(C)c1 ZINC000002081992 209345943 /nfs/dbraw/zinc/34/59/43/209345943.db2.gz ZVRFHYJECSFLHF-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN CCCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCCCC2 ZINC000002081663 209345805 /nfs/dbraw/zinc/34/58/05/209345805.db2.gz WCWSIKOGQHDTSS-UHFFFAOYSA-N 0 0 377.550 5.493 50 0 GKAARN Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)c(C)c1 ZINC000002081574 209345822 /nfs/dbraw/zinc/34/58/22/209345822.db2.gz HDYOAFATOADZAM-UHFFFAOYSA-N 0 0 380.491 6.388 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WXRBTJJNLVXHRE-UHFFFAOYSA-N 0 0 393.870 5.287 50 0 GKAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2cccc3ccccc32)cc1 ZINC000002068721 209344942 /nfs/dbraw/zinc/34/49/42/209344942.db2.gz CCQSXSFWDPWTDQ-VWLOTQADSA-N 0 0 391.514 6.401 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002060583 209344951 /nfs/dbraw/zinc/34/49/51/209344951.db2.gz RFNXGFLUZCMNBD-OAHLLOKOSA-N 0 0 385.529 5.328 50 0 GKAARN CC(C)(C)c1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc(C(C)(C)C)c1O ZINC000002054704 209344728 /nfs/dbraw/zinc/34/47/28/209344728.db2.gz SPHOAWIFRGTFFH-XDHOZWIPSA-N 0 0 395.474 5.471 50 0 GKAARN Cc1c(NC(=O)c2ccc3ccccc3c2)cccc1-c1nc2ccccc2s1 ZINC000002056956 209344463 /nfs/dbraw/zinc/34/44/63/209344463.db2.gz PDANPPHNRVFLSK-UHFFFAOYSA-N 0 0 394.499 6.677 50 0 GKAARN CCCCOc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002072435 209344594 /nfs/dbraw/zinc/34/45/94/209344594.db2.gz ZRFQRJCCNNBVNP-UHFFFAOYSA-N 0 0 395.506 6.733 50 0 GKAARN CC(C)(C)c1ccc(-c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)cc1 ZINC000002076945 209344616 /nfs/dbraw/zinc/34/46/16/209344616.db2.gz RXOQQVVSCPMEMH-UHFFFAOYSA-N 0 0 375.438 6.010 50 0 GKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)/C=C/c2ccccc2)cc1 ZINC000001972300 209343412 /nfs/dbraw/zinc/34/34/12/209343412.db2.gz QVNOFZMAHKRSLP-LFIBNONCSA-N 0 0 398.414 5.087 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCC2 ZINC000001903807 209342750 /nfs/dbraw/zinc/34/27/50/209342750.db2.gz FPDXSLWXPOYSJI-VAWYXSNFSA-N 0 0 389.904 5.109 50 0 GKAARN Cc1ccccc1COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001915212 209342606 /nfs/dbraw/zinc/34/26/06/209342606.db2.gz WUWFRLXIHPKMON-UHFFFAOYSA-N 0 0 392.838 6.126 50 0 GKAARN CC(=O)Nc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000001892200 209341739 /nfs/dbraw/zinc/34/17/39/209341739.db2.gz RJJPGAQDPCWTFA-YYADALCUSA-N 0 0 388.854 5.944 50 0 GKAARN Cc1c(OCc2cccc(Cl)c2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893488 209341248 /nfs/dbraw/zinc/34/12/48/209341248.db2.gz KIKCPCDKVLIYJJ-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN Cc1ccc(-c2ccc(OC(=O)c3ccc(C)c(Br)c3)cc2)cc1 ZINC000001847913 209341186 /nfs/dbraw/zinc/34/11/86/209341186.db2.gz ANVVVQYKPLPTAB-UHFFFAOYSA-N 0 0 381.269 5.952 50 0 GKAARN Clc1ccc(Cn2c(COc3cccc4ccccc43)nc3ccccc32)cc1 ZINC000001806146 209340286 /nfs/dbraw/zinc/34/02/86/209340286.db2.gz SVUZSIRNBXPLHO-UHFFFAOYSA-N 0 0 398.893 6.470 50 0 GKAARN Cc1cc2c(cc1C)N(C(=O)c1sc3ccccc3c1Cl)C(C)(C)C[C@@H]2C ZINC000001821301 209340384 /nfs/dbraw/zinc/34/03/84/209340384.db2.gz YOWDSBQPFUCUPT-HNNXBMFYSA-N 0 0 397.971 7.104 50 0 GKAARN O=c1oc2cc(OCc3ccc(Cl)c(Cl)c3)c(Cl)cc2c2c1CCC2 ZINC000001797579 209340201 /nfs/dbraw/zinc/34/02/01/209340201.db2.gz VVVDWMQTPMRFAH-UHFFFAOYSA-N 0 0 395.669 5.821 50 0 GKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCC3 ZINC000001830863 209339693 /nfs/dbraw/zinc/33/96/93/209339693.db2.gz GPBCTQQKFSVPNH-UHFFFAOYSA-N 0 0 384.570 5.527 50 0 GKAARN CCCc1cc2c(cc1OCc1ccc(C)cc1)oc(=O)cc2-c1ccccc1 ZINC000001797491 209339387 /nfs/dbraw/zinc/33/93/87/209339387.db2.gz DPMMNDMECRZRTA-UHFFFAOYSA-N 0 0 384.475 6.300 50 0 GKAARN CCCCc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001775851 209339075 /nfs/dbraw/zinc/33/90/75/209339075.db2.gz JSHFKAIVHNEBOE-UHFFFAOYSA-N 0 0 398.462 5.082 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)cc1 ZINC000001773659 209338990 /nfs/dbraw/zinc/33/89/90/209338990.db2.gz GSCQYZDYXZVIEV-UHFFFAOYSA-N 0 0 386.904 5.570 50 0 GKAARN Clc1ccc(CSc2nnc(SCc3cccc(Cl)c3)s2)cc1 ZINC000001770018 209338726 /nfs/dbraw/zinc/33/87/26/209338726.db2.gz PFEWMPGIFSXUPM-UHFFFAOYSA-N 0 0 399.393 6.430 50 0 GKAARN CCOc1ccc(-c2nc3sc(-c4ccc(OCC)cc4)nc3s2)cc1 ZINC000001761805 209338756 /nfs/dbraw/zinc/33/87/56/209338756.db2.gz KESQQZDTZHMVQX-UHFFFAOYSA-N 0 0 382.510 5.884 50 0 GKAARN Cc1ccc(Nc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1Br ZINC000001778451 209338328 /nfs/dbraw/zinc/33/83/28/209338328.db2.gz CWUFUYCNNBKKCB-SNVBAGLBSA-N 0 0 388.334 5.631 50 0 GKAARN Cc1ccc(COc2ccc3c(c2)occ(-c2ccccc2Cl)c3=O)cc1 ZINC000001770837 209338451 /nfs/dbraw/zinc/33/84/51/209338451.db2.gz PKRYAIWMSGOHCA-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 biogenic GKAARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000001756632 209338051 /nfs/dbraw/zinc/33/80/51/209338051.db2.gz OHOPXSOPNHRYEI-LJQANCHMSA-N 0 0 381.840 6.494 50 0 GKAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1c1ccc(Br)cc1 ZINC000001514302 209331818 /nfs/dbraw/zinc/33/18/18/209331818.db2.gz WHVQMXLPEKHJRO-UHFFFAOYSA-N 0 0 386.632 5.056 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000001401177 209326979 /nfs/dbraw/zinc/32/69/79/209326979.db2.gz YXVWWWUNZNVXTE-UHFFFAOYSA-N 0 0 382.794 5.735 50 0 GKAARN CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000001413967 209327087 /nfs/dbraw/zinc/32/70/87/209327087.db2.gz TUUQWOLESZNZJH-UHFFFAOYSA-N 0 0 386.451 5.383 50 0 GKAARN O=C(CSCc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)no1 ZINC000001398192 209326627 /nfs/dbraw/zinc/32/66/27/209326627.db2.gz CCCSDJPAEISIDM-UHFFFAOYSA-N 0 0 377.387 5.477 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)nc(-c2cccnc2)n1 ZINC000001401664 209326720 /nfs/dbraw/zinc/32/67/20/209326720.db2.gz HJEIZQFIUDTJJC-UHFFFAOYSA-N 0 0 386.842 5.111 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)c1ccnn1C(=O)Nc1ccccc1 ZINC000001402520 209326404 /nfs/dbraw/zinc/32/64/04/209326404.db2.gz HJQBSDNHJVVPIL-LBPRGKRZSA-N 0 0 376.243 5.410 50 0 GKAARN Clc1ccc(COc2ccccc2-c2ccnc3nc4ccccc4n32)cc1 ZINC000001399406 209326547 /nfs/dbraw/zinc/32/65/47/209326547.db2.gz NAOBNDVVJMMANF-UHFFFAOYSA-N 0 0 385.854 5.782 50 0 GKAARN FC(F)(F)c1cccc(Cn2c3ccccc3nc2-c2ccc(Cl)nc2)c1 ZINC000001383352 209325883 /nfs/dbraw/zinc/32/58/83/209325883.db2.gz BSJOFBIIEAKWAT-UHFFFAOYSA-N 0 0 387.792 5.819 50 0 GKAARN O=C(c1ccc(Cl)cc1)[C@H]1CN(c2ccccc2)C[C@@H]1c1ccccc1F ZINC000001394190 209325733 /nfs/dbraw/zinc/32/57/33/209325733.db2.gz IKFPQMOCFMMABO-RTWAWAEBSA-N 0 0 379.862 5.582 50 0 GKAARN FC(F)(F)c1cccc(Oc2nnc(Cc3ccccc3)c3ccccc32)c1 ZINC000001384850 209325522 /nfs/dbraw/zinc/32/55/22/209325522.db2.gz ZGJFZCYOGIFJII-UHFFFAOYSA-N 0 0 380.369 6.032 50 0 GKAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccco2)cc1 ZINC000010215105 209321156 /nfs/dbraw/zinc/32/11/56/209321156.db2.gz FENSELHAZQZNEG-DENIHFKCSA-N 0 0 394.858 5.574 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215070 209321221 /nfs/dbraw/zinc/32/12/21/209321221.db2.gz PQIKPTVUDKLXJI-TZIWHRDSSA-N 0 0 380.900 5.952 50 0 GKAARN O=C(C=Cc1c(Cl)cccc1Cl)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009987922 209320568 /nfs/dbraw/zinc/32/05/68/209320568.db2.gz NCYSKFKDJZKBSD-MDZDMXLPSA-N 0 0 388.294 5.128 50 0 GKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)cc1C ZINC000001311429 209319930 /nfs/dbraw/zinc/31/99/30/209319930.db2.gz UQSXCYIIFDZNBI-UHFFFAOYSA-N 0 0 388.492 5.841 50 0 GKAARN CCOc1ccc2nc(SCC(=O)n3c(C)c(C)c4ccccc43)sc2c1 ZINC000001254197 209317301 /nfs/dbraw/zinc/31/73/01/209317301.db2.gz UUDRLFYQUXPAFU-UHFFFAOYSA-N 0 0 396.537 5.699 50 0 GKAARN Cc1cc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)oc2cc1C ZINC000001505724 209331408 /nfs/dbraw/zinc/33/14/08/209331408.db2.gz DFXRXAHRSTTZPG-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN Cc1cccc(C(=O)Nc2cccc3c(NC(=O)c4cccc(C)c4)cccc23)c1 ZINC000001509034 209330735 /nfs/dbraw/zinc/33/07/35/209330735.db2.gz KVPMMVNYZJSROR-UHFFFAOYSA-N 0 0 394.474 5.961 50 0 GKAARN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)c1 ZINC000001505770 209330759 /nfs/dbraw/zinc/33/07/59/209330759.db2.gz YDHVJZRLAMIEEI-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4)c3)oc2c1 ZINC000001505756 209330767 /nfs/dbraw/zinc/33/07/67/209330767.db2.gz ZCSFIZLHLMCNRE-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN Cc1ccc(-c2nc(NC(=O)Cc3ccccc3)sc2-c2ccccc2)cc1 ZINC000001509709 209330242 /nfs/dbraw/zinc/33/02/42/209330242.db2.gz RMHQCBOIZVAHCA-UHFFFAOYSA-N 0 0 384.504 5.967 50 0 GKAARN c1csc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000001447540 209329875 /nfs/dbraw/zinc/32/98/75/209329875.db2.gz SROXNAMMCJVCBO-UHFFFAOYSA-N 0 0 382.492 5.761 50 0 GKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCCC2)cc1 ZINC000001447733 209329884 /nfs/dbraw/zinc/32/98/84/209329884.db2.gz PCJVBRWENQSXPP-UHFFFAOYSA-N 0 0 398.510 5.477 50 0 GKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)C1 ZINC000001459811 209329545 /nfs/dbraw/zinc/32/95/45/209329545.db2.gz WHTJUEZQSBSNAX-HZPDHXFCSA-N 0 0 378.903 5.673 50 0 GKAARN Cc1cc(C(=O)CSc2ccc(Cl)cc2)c(C)n1CCc1ccccc1 ZINC000001465368 209329363 /nfs/dbraw/zinc/32/93/63/209329363.db2.gz GAQMCRBJAPGXLC-UHFFFAOYSA-N 0 0 383.944 5.976 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Br)cc1)c1ccccn1 ZINC000001448666 209329145 /nfs/dbraw/zinc/32/91/45/209329145.db2.gz FOOGWNKRHOCCLL-NRFANRHFSA-N 0 0 392.300 5.835 50 0 GKAARN O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000010290905 209328979 /nfs/dbraw/zinc/32/89/79/209328979.db2.gz JECLKUXSSDEINO-IBGZPJMESA-N 0 0 393.405 5.354 50 0 GKAARN CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000001444701 209328470 /nfs/dbraw/zinc/32/84/70/209328470.db2.gz SAWKVWRVUWOCEW-UHFFFAOYSA-N 0 0 378.497 5.098 50 0 GKAARN CCSc1ccc(NC(=O)CC2c3ccccc3Oc3ccccc32)cc1 ZINC000001438259 209328500 /nfs/dbraw/zinc/32/85/00/209328500.db2.gz PAVVZJILAWXHIA-UHFFFAOYSA-N 0 0 375.493 6.065 50 0 GKAARN O=C(Nc1ccccc1[C@H]1CC1(Cl)Cl)c1ccccc1Br ZINC000001443172 209328297 /nfs/dbraw/zinc/32/82/97/209328297.db2.gz PLLKFKFFXOMBDM-GFCCVEGCSA-N 0 0 385.088 5.363 50 0 GKAARN c1coc(-c2nnc(SCc3cccc4ccccc43)n2-c2ccccc2)c1 ZINC000001445749 209327691 /nfs/dbraw/zinc/32/76/91/209327691.db2.gz RXGLOZHXBFAPAH-UHFFFAOYSA-N 0 0 383.476 5.973 50 0 GKAARN COC(=O)c1ccc(NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1 ZINC000001436515 209327730 /nfs/dbraw/zinc/32/77/30/209327730.db2.gz MOGOANHKVSRSRB-HSZRJFAPSA-N 0 0 399.490 5.035 50 0 GKAARN CC(C)[C@H]1O[C@H](c2cccc(NC(=O)c3ccc(Cl)cc3)c2)OCC1(C)C ZINC000001440932 209327592 /nfs/dbraw/zinc/32/75/92/209327592.db2.gz MIOXQDMDCZEQOZ-TZIWHRDSSA-N 0 0 387.907 5.689 50 0 GKAARN Cc1ccc(N[P@@](C)(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1C 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O=C(NCc1ccco1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 ZINC000000673357 209257479 /nfs/dbraw/zinc/25/74/79/209257479.db2.gz XHGMBYMMYAIVTH-UHFFFAOYSA-N 0 0 376.239 5.095 50 0 GKAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000000677883 209257524 /nfs/dbraw/zinc/25/75/24/209257524.db2.gz ZWOCSAQEADYQPQ-UHFFFAOYSA-N 0 0 380.658 6.468 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc2c(c1)OCO2 ZINC000000656557 209255785 /nfs/dbraw/zinc/25/57/85/209255785.db2.gz OLZGFQSITIKVQK-UHFFFAOYSA-N 0 0 393.251 5.098 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cs1)C1c2ccccc2Oc2ccccc21 ZINC000000650194 209255545 /nfs/dbraw/zinc/25/55/45/209255545.db2.gz MKABONFQPZQDSG-UHFFFAOYSA-N 0 0 384.460 5.686 50 0 GKAARN Cc1cc(C)n(C(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)n1 ZINC000000652014 209255450 /nfs/dbraw/zinc/25/54/50/209255450.db2.gz GKDHUVDIFDSPFF-UHFFFAOYSA-N 0 0 375.859 5.365 50 0 GKAARN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000000649732 209255198 /nfs/dbraw/zinc/25/51/98/209255198.db2.gz XGIUNRTXJGFTJI-NRFANRHFSA-N 0 0 392.911 5.671 50 0 aggregator GKAARN O=C(CN1CCCCC1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000000667859 209256279 /nfs/dbraw/zinc/25/62/79/209256279.db2.gz YPOQUKFSQDBXFL-UHFFFAOYSA-N 0 0 383.561 5.282 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC ZINC000000652227 209255850 /nfs/dbraw/zinc/25/58/50/209255850.db2.gz YNZRJAFKVHKVIY-GQCTYLIASA-N 0 0 386.662 5.316 50 0 GKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(SC)cc2)cc1 ZINC000000635354 209252954 /nfs/dbraw/zinc/25/29/54/209252954.db2.gz NHWSMYMCLVLSRB-NRFANRHFSA-N 0 0 376.481 5.188 50 0 GKAARN Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 ZINC000000631180 209252999 /nfs/dbraw/zinc/25/29/99/209252999.db2.gz ZJUKRSHFBZPEKF-HZPDHXFCSA-N 0 0 379.678 5.385 50 0 GKAARN COc1ccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)cc1 ZINC000000644876 209254184 /nfs/dbraw/zinc/25/41/84/209254184.db2.gz FXQIKLGVOHOQLH-UHFFFAOYSA-N 0 0 396.512 5.326 50 0 GKAARN C[C@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)OCc1ccccc1 ZINC000000645421 209254114 /nfs/dbraw/zinc/25/41/14/209254114.db2.gz BYLHQTYICVHVFS-KBPBESRZSA-N 0 0 398.553 5.040 50 0 GKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc2ccccc21 ZINC000000640789 209253801 /nfs/dbraw/zinc/25/38/01/209253801.db2.gz ICXNNRSVLFUBFC-UHFFFAOYSA-N 0 0 380.658 5.818 50 0 GKAARN CSc1ccc(NC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000000641457 209253824 /nfs/dbraw/zinc/25/38/24/209253824.db2.gz CMHDGMOLQXIASB-UHFFFAOYSA-N 0 0 396.899 5.937 50 0 GKAARN COC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(C)cc4)c32)cc1 ZINC000000628274 209251335 /nfs/dbraw/zinc/25/13/35/209251335.db2.gz SUNDZELKIRWUGW-UHFFFAOYSA-N 0 0 376.437 5.246 50 0 GKAARN CNC(=O)c1cnc(/C=C\c2ccc(-c3cccc(Cl)c3Cl)o2)s1 ZINC000096402172 209240611 /nfs/dbraw/zinc/24/06/11/209240611.db2.gz HHCZYRQSLNRWJC-VURMDHGXSA-N 0 0 379.268 5.240 50 0 GKAARN O=c1c(-c2ccc(Cl)cc2)coc2c1ccc1c2CN(Cc2ccco2)CO1 ZINC000013655183 209234714 /nfs/dbraw/zinc/23/47/14/209234714.db2.gz ADBBFLFPSYSJRE-UHFFFAOYSA-N 0 0 393.826 5.059 50 0 GKAARN Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C(C)C)c2c1 ZINC000006624226 209232999 /nfs/dbraw/zinc/23/29/99/209232999.db2.gz CXLNZVXAVKQYIV-UHFFFAOYSA-N 0 0 375.424 5.418 50 0 biogenic GKAARN Cc1nc(C(=O)NCc2ccc(Cl)cc2Cl)cc2c3ccccc3[nH]c21 ZINC000006167362 209232939 /nfs/dbraw/zinc/23/29/39/209232939.db2.gz KHNLCNLBYBSHLS-UHFFFAOYSA-N 0 0 384.266 5.261 50 0 biogenic GKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 ZINC000005178550 209231561 /nfs/dbraw/zinc/23/15/61/209231561.db2.gz MTTQVIBZIHHBSB-UHFFFAOYSA-N 0 0 386.451 5.345 50 0 GKAARN O=C(Oc1ccc2c(c1)occ(-c1nc3ccccc3s1)c2=O)c1ccccc1 ZINC000002264971 209228863 /nfs/dbraw/zinc/22/88/63/209228863.db2.gz MIWAUQXMTPZXBU-UHFFFAOYSA-N 0 0 399.427 5.289 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 ZINC000002125646 209230120 /nfs/dbraw/zinc/23/01/20/209230120.db2.gz MMCFKNSFCLOTQP-UHFFFAOYSA-N 0 0 384.859 5.359 50 0 biogenic GKAARN CCCc1cc2c(cc1OC(C)C)oc(CC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000001748639 209229767 /nfs/dbraw/zinc/22/97/67/209229767.db2.gz TYEYPMLQVLNTRS-UHFFFAOYSA-N 0 0 394.467 5.491 50 0 biogenic GKAARN Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000001447968 209227891 /nfs/dbraw/zinc/22/78/91/209227891.db2.gz DPIDKEYKOFMPMJ-UHFFFAOYSA-N 0 0 390.822 5.641 50 0 GKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3F)cc21 ZINC000000623663 209227187 /nfs/dbraw/zinc/22/71/87/209227187.db2.gz SFSMJFCPDKLOCW-UHFFFAOYSA-N 0 0 393.208 5.008 50 0 GKAARN COc1ccc2c(c1)oc(=O)cc2-c1oc2ccc(Br)cc2c1C ZINC000001448140 209226942 /nfs/dbraw/zinc/22/69/42/209226942.db2.gz VTDOHYHXQNBMQH-UHFFFAOYSA-N 0 0 385.213 5.286 50 0 biogenic GKAARN CCCC[C@@H](CC)C(=O)Oc1ccc(Br)cc1Br ZINC000002061735 212263842 /nfs/dbraw/zinc/26/38/42/212263842.db2.gz ZFWYUTYMDNCAKB-SNVBAGLBSA-N 0 0 378.104 5.333 50 0 GKAARN O=C(CCCc1ccccc1)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000002073545 212263611 /nfs/dbraw/zinc/26/36/11/212263611.db2.gz LXXGASCLAZFDHL-UHFFFAOYSA-N 0 0 376.431 5.039 50 0 GKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2CC(=O)c1ccccc1 ZINC000002065953 212263464 /nfs/dbraw/zinc/26/34/64/212263464.db2.gz NBDGSOGLBISPQO-UHFFFAOYSA-N 0 0 397.590 6.453 50 0 GKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002065952 212263579 /nfs/dbraw/zinc/26/35/79/212263579.db2.gz BJSQDUVVLCGRKR-DVECYGJZSA-N 0 0 398.550 6.576 50 0 GKAARN CC[C@@H](C(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl)c1ccccc1 ZINC000002073521 212263127 /nfs/dbraw/zinc/26/31/27/212263127.db2.gz NCHVMSBVEJIYKQ-LJQANCHMSA-N 0 0 398.934 5.535 50 0 GKAARN COc1ccc([C@@]2(c3ccccc3)ON=C(c3ccccc3)S2)cc1OC ZINC000002077537 212262749 /nfs/dbraw/zinc/26/27/49/212262749.db2.gz WXHWVYYPFJYMCP-QFIPXVFZSA-N 0 0 377.465 5.030 50 0 GKAARN CCCOc1ccc(-c2csc3ncn(Cc4ccc(C)cc4)c(=O)c23)cc1 ZINC000001911971 212260451 /nfs/dbraw/zinc/26/04/51/212260451.db2.gz YDKPPAUHXWKTDO-UHFFFAOYSA-N 0 0 390.508 5.271 50 0 GKAARN O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000001948772 212260505 /nfs/dbraw/zinc/26/05/05/212260505.db2.gz DFSSTZBEEFVULC-RIYZIHGNSA-N 0 0 397.055 5.100 50 0 GKAARN Cc1cc2c(cc1C)-c1c(=S)n(-c3ccc(C(C)C)cc3)sc1C(C)(C)N2 ZINC000001903359 212259417 /nfs/dbraw/zinc/25/94/17/212259417.db2.gz FCZWEXSOGDYTLL-UHFFFAOYSA-N 0 0 394.609 7.336 50 0 GKAARN CCCCCC(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 ZINC000001851135 212259276 /nfs/dbraw/zinc/25/92/76/212259276.db2.gz AZWHAHPYYFTORT-UHFFFAOYSA-N 0 0 388.265 5.171 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000001847987 212259113 /nfs/dbraw/zinc/25/91/13/212259113.db2.gz ICVSEWZRZQWRBK-UHFFFAOYSA-N 0 0 390.449 5.855 50 0 GKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(OC)cc3)c2c1 ZINC000001892529 212258954 /nfs/dbraw/zinc/25/89/54/212258954.db2.gz FJFXINOILQYOPQ-WNAAXNPUSA-N 0 0 385.463 5.912 50 0 GKAARN O=C(Oc1ccccc1-c1ccccc1OC(=O)c1ccccc1)c1ccccc1 ZINC000001865176 212258792 /nfs/dbraw/zinc/25/87/92/212258792.db2.gz QNJMYEFVCJJOPE-UHFFFAOYSA-N 0 0 394.426 5.792 50 0 GKAARN CCCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001882366 212258796 /nfs/dbraw/zinc/25/87/96/212258796.db2.gz QDNNIOYCMZYGAO-UHFFFAOYSA-N 0 0 382.577 5.919 50 0 GKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001807046 212257346 /nfs/dbraw/zinc/25/73/46/212257346.db2.gz GGIKJLZDFDWKGJ-UHFFFAOYSA-N 0 0 377.443 5.837 50 0 GKAARN Cc1cc(OCc2ccc(C(C)(C)C)cc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001797641 212257365 /nfs/dbraw/zinc/25/73/65/212257365.db2.gz KSMBFKXLUHUDGE-UHFFFAOYSA-N 0 0 376.496 5.857 50 0 GKAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N[C@@H]1CCCC[C@@H]1C ZINC000001774673 212255937 /nfs/dbraw/zinc/25/59/37/212255937.db2.gz FHTKGVZBGKHFDB-XHDPSFHLSA-N 0 0 381.303 5.709 50 0 GKAARN O=c1c2ccc(OCc3ccc(F)cc3)cc2occ1-c1ccc(Cl)cc1 ZINC000001770236 212255818 /nfs/dbraw/zinc/25/58/18/212255818.db2.gz XIFDILZPOSCRAZ-UHFFFAOYSA-N 0 0 380.802 5.832 50 0 biogenic GKAARN Cc1ccc(OCCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001773336 212255833 /nfs/dbraw/zinc/25/58/33/212255833.db2.gz JDHZGYLKDOGDFN-UHFFFAOYSA-N 0 0 375.468 5.372 50 0 GKAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000001779181 212255517 /nfs/dbraw/zinc/25/55/17/212255517.db2.gz QPICTFRDSKLYFW-NTCAYCPXSA-N 0 0 397.396 5.936 50 0 GKAARN CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCCC ZINC000001736036 212254509 /nfs/dbraw/zinc/25/45/09/212254509.db2.gz QJRSPJSHRYYBJL-UHFFFAOYSA-N 0 0 388.074 5.434 50 0 GKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C)c(C)c1)C(C)(C)N2 ZINC000002053549 212262017 /nfs/dbraw/zinc/26/20/17/212262017.db2.gz VPSKPBZKWDYGJP-XDOYNYLZSA-N 0 0 382.554 5.995 50 0 GKAARN CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000002052137 212261764 /nfs/dbraw/zinc/26/17/64/212261764.db2.gz MIHIQIRVZDGTPS-UHFFFAOYSA-N 0 0 395.528 5.505 50 0 GKAARN CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002052133 212261534 /nfs/dbraw/zinc/26/15/34/212261534.db2.gz OXGDOELYBIFPLN-UHFFFAOYSA-N 0 0 383.542 5.357 50 0 GKAARN CCCCC1CCC(C(=O)OCC(=O)c2ccc(Br)cc2)CC1 ZINC000002053439 212261570 /nfs/dbraw/zinc/26/15/70/212261570.db2.gz WPTXJVJHFNDGKU-UHFFFAOYSA-N 0 0 381.310 5.172 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)sc2c1 ZINC000002025845 212261321 /nfs/dbraw/zinc/26/13/21/212261321.db2.gz JLCCTIVZISKGIL-UHFFFAOYSA-N 0 0 393.899 6.569 50 0 GKAARN Cc1cccc(C(=O)N2c3cc(C)ccc3-c3c(=S)ssc3C2(C)C)c1 ZINC000002052828 212261107 /nfs/dbraw/zinc/26/11/07/212261107.db2.gz BGKHVFZIGLZXOX-UHFFFAOYSA-N 0 0 397.590 6.718 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1Cl ZINC000001986259 212261168 /nfs/dbraw/zinc/26/11/68/212261168.db2.gz BJHJKGLSJWICGJ-UHFFFAOYSA-N 0 0 385.872 5.498 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 ZINC000002050759 212261209 /nfs/dbraw/zinc/26/12/09/212261209.db2.gz BWXBSHRTJGHIMN-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1 ZINC000001580985 212249815 /nfs/dbraw/zinc/24/98/15/212249815.db2.gz OMCUOJTVNIHQTI-UHFFFAOYSA-N 0 0 382.506 8.355 50 0 GKAARN CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000001543563 212248802 /nfs/dbraw/zinc/24/88/02/212248802.db2.gz MQNYRKWJSMQECI-QFIPXVFZSA-N 0 0 380.491 6.091 50 0 in-vivo GKAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc(Cl)c1Cl ZINC000001517877 212248537 /nfs/dbraw/zinc/24/85/37/212248537.db2.gz RUTTVNVAHUHZHG-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)s2)cc1 ZINC000001453043 212246577 /nfs/dbraw/zinc/24/65/77/212246577.db2.gz FMVRMBDPUOJDEN-GOSISDBHSA-N 0 0 392.568 5.983 50 0 GKAARN COc1ccccc1OCc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000001452865 212246593 /nfs/dbraw/zinc/24/65/93/212246593.db2.gz PFGKXWHZFYXEJW-UHFFFAOYSA-N 0 0 378.859 5.326 50 0 GKAARN Cc1c(Cl)ccc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3cccnc3)nc12 ZINC000001460276 212246725 /nfs/dbraw/zinc/24/67/25/212246725.db2.gz JGFUFPLHVMUGQM-AWEZNQCLSA-N 0 0 379.891 5.273 50 0 GKAARN Cc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)o1 ZINC000253500717 209221147 /nfs/dbraw/zinc/22/11/47/209221147.db2.gz MFWNSDZRXMNLKW-LJVVPQPHSA-N 0 0 382.544 5.266 50 0 biogenic GKAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)/C(=C/c5ccccc5)C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000253497668 209220380 /nfs/dbraw/zinc/22/03/80/209220380.db2.gz CGFWQQQWRBBZTJ-VVBYNPARSA-N 0 0 394.599 5.835 50 0 GKAARN CCC[C@@H]1Nc2cc3ccccc3cc2[C@H](Nc2ccc3ccccc3c2)[C@H]1CC ZINC000245238260 209214669 /nfs/dbraw/zinc/21/46/69/209214669.db2.gz HQZMQFIQDVYNQA-GYGTVUFYSA-N 0 0 394.562 7.767 50 0 GKAARN Cc1nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c2c2c1CCCC2 ZINC000001454525 212246153 /nfs/dbraw/zinc/24/61/53/212246153.db2.gz CBZZREUITDFZRR-UHFFFAOYSA-N 0 0 391.323 5.604 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)NCc2ccccc2)c1 ZINC000001444706 212246180 /nfs/dbraw/zinc/24/61/80/212246180.db2.gz HOTUJPJGKAIPKL-UHFFFAOYSA-N 0 0 396.899 5.046 50 0 GKAARN C[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc34)c2C1 ZINC000001438287 212244883 /nfs/dbraw/zinc/24/48/83/212244883.db2.gz RWOGBHFWFWHLPF-HNNXBMFYSA-N 0 0 391.492 5.512 50 0 GKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215099 212239085 /nfs/dbraw/zinc/23/90/85/212239085.db2.gz WFFFIFOIKNIYGN-IFMALSPDSA-N 0 0 376.481 5.389 50 0 GKAARN O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 ZINC000009910838 212237694 /nfs/dbraw/zinc/23/76/94/212237694.db2.gz GREOZYAFGNVUGG-UHFFFAOYSA-N 0 0 397.927 6.643 50 0 GKAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cc1OC ZINC000009956600 212237664 /nfs/dbraw/zinc/23/76/64/212237664.db2.gz OLCLKGVRKDFMOM-TZZQJPOUSA-N 0 0 385.891 5.124 50 0 GKAARN Clc1ccc(Cc2nnc(SCc3cccnc3)n2-c2ccccc2)cc1 ZINC000001431414 212244527 /nfs/dbraw/zinc/24/45/27/212244527.db2.gz GSQZOAWWKDDTIG-UHFFFAOYSA-N 0 0 392.915 5.199 50 0 GKAARN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000001414890 212243658 /nfs/dbraw/zinc/24/36/58/212243658.db2.gz FATQRZFSYLGJCX-VMPITWQZSA-N 0 0 382.778 5.532 50 0 GKAARN O=C(Cc1ccccc1)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000001425362 212243514 /nfs/dbraw/zinc/24/35/14/212243514.db2.gz 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S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000001214111 212229620 /nfs/dbraw/zinc/22/96/20/212229620.db2.gz WSKQJKVCLZTFGA-UHFFFAOYSA-N 0 0 380.944 5.849 50 0 aggregator GKAARN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccccc1 ZINC000001210976 212229464 /nfs/dbraw/zinc/22/94/64/212229464.db2.gz ZGFRCQHIFKUWRS-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000001201194 212228869 /nfs/dbraw/zinc/22/88/69/212228869.db2.gz QXZOZDMSDIQQID-UHFFFAOYSA-N 0 0 382.250 5.789 50 0 GKAARN CCCC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000001203990 212228566 /nfs/dbraw/zinc/22/85/66/212228566.db2.gz PCGFNFRXCAVHLO-UHFFFAOYSA-N 0 0 395.684 5.093 50 0 GKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1 ZINC000001202699 212228672 /nfs/dbraw/zinc/22/86/72/212228672.db2.gz YJAHLQAOYRKPJL-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)cc1 ZINC000001200321 212227864 /nfs/dbraw/zinc/22/78/64/212227864.db2.gz 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Brc1c(OCc2nc(-c3ccccc3)no2)ccc2ccccc21 ZINC000001124177 212219802 /nfs/dbraw/zinc/21/98/02/212219802.db2.gz NEVBBTUVVUHIPA-UHFFFAOYSA-N 0 0 381.229 5.231 50 0 GKAARN O=C(Nc1cccc2c(NC(=O)C3CCCCC3)cccc12)C1CCCCC1 ZINC000001158856 212224230 /nfs/dbraw/zinc/22/42/30/212224230.db2.gz UORCTSSXPBCVHI-UHFFFAOYSA-N 0 0 378.516 5.877 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001143399 212223541 /nfs/dbraw/zinc/22/35/41/212223541.db2.gz LZYDHRXTPVDKTM-DHZHZOJOSA-N 0 0 382.872 5.306 50 0 GKAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000001148221 212223332 /nfs/dbraw/zinc/22/33/32/212223332.db2.gz HDNXCEAULHRONK-UHFFFAOYSA-N 0 0 381.859 5.767 50 0 GKAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(C)c1 ZINC000001140761 212222364 /nfs/dbraw/zinc/22/23/64/212222364.db2.gz XANCEJWWUYCKLV-UHFFFAOYSA-N 0 0 395.528 5.382 50 0 GKAARN CCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000001124288 212219883 /nfs/dbraw/zinc/21/98/83/212219883.db2.gz 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CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(Cl)cc1 ZINC000001912363 203922328 /nfs/dbraw/zinc/92/23/28/203922328.db2.gz LMAPZJDCPMGBEP-UHFFFAOYSA-N 0 0 394.780 5.827 50 0 GKAARN Cc1ccccc1COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001915192 203922859 /nfs/dbraw/zinc/92/28/59/203922859.db2.gz IPJKTRBIMJOPKK-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 biogenic GKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002060907 203924759 /nfs/dbraw/zinc/92/47/59/203924759.db2.gz SYUIXNMHWUKBNY-MHZLTWQESA-N 0 0 399.534 6.139 50 0 aggregator GKAARN CCCCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1 ZINC000002439867 203945544 /nfs/dbraw/zinc/94/55/44/203945544.db2.gz XYVBWQPJXXGLCU-UHFFFAOYSA-N 0 0 394.898 7.291 50 0 GKAARN CCn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1ccccc1F ZINC000002441521 203945564 /nfs/dbraw/zinc/94/55/64/203945564.db2.gz JYYTUXMPMPQUMW-UHFFFAOYSA-N 0 0 386.426 5.080 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1C ZINC000002082075 203925768 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/nfs/dbraw/zinc/96/52/07/203965207.db2.gz SVNQZBIDFHOPHD-CPNJWEJPSA-N 0 0 381.834 5.667 50 0 GKAARN CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)c3ccccc3)c(Cl)cc12 ZINC000002811644 203965452 /nfs/dbraw/zinc/96/54/52/203965452.db2.gz VSOJOCVYTXEVSV-AWEZNQCLSA-N 0 0 384.859 5.439 50 0 GKAARN Cc1ccc(NC(=S)NCCOc2ccccc2Cc2ccccc2)c(C)c1 ZINC000002870260 203969823 /nfs/dbraw/zinc/96/98/23/203969823.db2.gz LCDJEFFBZAPCPA-UHFFFAOYSA-N 0 0 390.552 5.260 50 0 GKAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2c1 ZINC000002867458 203970127 /nfs/dbraw/zinc/97/01/27/203970127.db2.gz GHYCFJCMURWTAM-LJQANCHMSA-N 0 0 395.506 5.713 50 0 GKAARN Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1 ZINC000002893029 203972544 /nfs/dbraw/zinc/97/25/44/203972544.db2.gz JGQGXGLMAKDLBO-UHFFFAOYSA-N 0 0 375.311 5.951 50 0 GKAARN CC(C)COP(=O)(OCC(C)C)[C@@H](Nc1ccccc1)c1ccc(F)cc1 ZINC000002918305 203973590 /nfs/dbraw/zinc/97/35/90/203973590.db2.gz UVUMVPUPXCSFJN-OAQYLSRUSA-N 0 0 393.439 6.475 50 0 GKAARN 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CC(C)c1ccc(NC(=O)CCCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000004702648 204066885 /nfs/dbraw/zinc/06/68/85/204066885.db2.gz AFUTYFUXHZRVPT-UHFFFAOYSA-N 0 0 393.531 5.158 50 0 GKAARN CCCN(C(=O)CCc1nc(-c2ccc(C)cc2)no1)c1cccc(Cl)c1 ZINC000004921025 204091795 /nfs/dbraw/zinc/09/17/95/204091795.db2.gz ZWDQOWZMBQXTDE-UHFFFAOYSA-N 0 0 383.879 5.074 50 0 GKAARN CSc1cccc(Sc2cc(C(=O)NCCC(C)C)c3ccccc3n2)c1 ZINC000004712075 204067390 /nfs/dbraw/zinc/06/73/90/204067390.db2.gz NHNQOACYMVCSAB-UHFFFAOYSA-N 0 0 396.581 5.884 50 0 GKAARN c1ccc(CSc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000004711743 204067534 /nfs/dbraw/zinc/06/75/34/204067534.db2.gz MVUQAQWALUJVAV-UHFFFAOYSA-N 0 0 385.496 5.651 50 0 GKAARN CCc1sc(NC(=O)c2cccc(NC(=O)C(C)C)c2)nc1-c1ccccc1 ZINC000004722516 204067650 /nfs/dbraw/zinc/06/76/50/204067650.db2.gz ZYLLKZQHYXVDCI-UHFFFAOYSA-N 0 0 393.512 5.219 50 0 GKAARN COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(C)o3)C[C@H]21 ZINC000004715787 204068005 /nfs/dbraw/zinc/06/80/05/204068005.db2.gz 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Cc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccc(F)cc1 ZINC000004739730 204072557 /nfs/dbraw/zinc/07/25/57/204072557.db2.gz SPOQAKSTRYPBBF-UHFFFAOYSA-N 0 0 396.487 5.476 50 0 GKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000004744568 204072611 /nfs/dbraw/zinc/07/26/11/204072611.db2.gz YPPOHFCRWFYVQE-LCUIJRPUSA-N 0 0 384.435 5.235 50 0 GKAARN CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 ZINC000004747366 204072765 /nfs/dbraw/zinc/07/27/65/204072765.db2.gz SFEDEOKCFYYFTO-MRXNPFEDSA-N 0 0 377.875 5.349 50 0 GKAARN Cc1ccsc1[C@H]1c2c(ccc3ccccc32)Nc2c3ccccc3oc(=O)c21 ZINC000004748052 204072841 /nfs/dbraw/zinc/07/28/41/204072841.db2.gz ZCLABZPOQSUJCG-NRFANRHFSA-N 0 0 395.483 6.553 50 0 GKAARN Cc1c([C@H]2C3=C(CCCC3)C(=O)N2[C@@H](C)c2ccccc2)c2ccccc2n1C ZINC000004748279 204073038 /nfs/dbraw/zinc/07/30/38/204073038.db2.gz JATSYDJCDBNEHZ-SSOJOUAXSA-N 0 0 384.523 6.002 50 0 GKAARN COc1ccc([C@@H]2Sc3ccccc3Nc3c4ccccc4oc(=O)c32)cc1 ZINC000004747394 204073245 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CCC(=O)Nc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)c1 ZINC000004837425 204080886 /nfs/dbraw/zinc/08/08/86/204080886.db2.gz NJKIPOWWPROVJF-XMMPIXPASA-N 0 0 399.494 5.399 50 0 GKAARN COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccccc1C)oc1ccccc12 ZINC000004833806 204081010 /nfs/dbraw/zinc/08/10/10/204081010.db2.gz OGSGNKQYDLFLKB-HNNXBMFYSA-N 0 0 375.424 5.309 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(cccc2C)s1 ZINC000004834630 204081258 /nfs/dbraw/zinc/08/12/58/204081258.db2.gz HAHUVTCQCZMVCR-UHFFFAOYSA-N 0 0 383.860 5.474 50 0 GKAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000004837527 204081332 /nfs/dbraw/zinc/08/13/32/204081332.db2.gz NUNCQHYRAYJLBD-UHFFFAOYSA-N 0 0 388.470 6.028 50 0 GKAARN C(\c1ccccc1)=C1\CCC[C@@H]2C1=Nc1ccccc1S[C@H]2c1ccccc1 ZINC000004844200 204082484 /nfs/dbraw/zinc/08/24/84/204082484.db2.gz UZGHVXQHRUPJIO-DOAJZJKKSA-N 0 0 381.544 7.490 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000004855135 204082765 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204235154 /nfs/dbraw/zinc/23/51/54/204235154.db2.gz XXONJHSXFVSWNJ-SFHVURJKSA-N 0 0 396.585 5.196 50 0 GKAARN O=C(CSc1ccc2ccccc2n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007200117 204235840 /nfs/dbraw/zinc/23/58/40/204235840.db2.gz ACZVWXIGUJVXSA-JOCHJYFZSA-N 0 0 390.533 5.294 50 0 GKAARN C[C@H](Oc1ccccc1F)c1nnc(SCc2cc(-c3ccccc3)on2)o1 ZINC000007335677 204238941 /nfs/dbraw/zinc/23/89/41/204238941.db2.gz UZUNXPHGWXKMAS-ZDUSSCGKSA-N 0 0 397.431 5.296 50 0 GKAARN CCOc1ccccc1NC(=O)[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000007387529 204239683 /nfs/dbraw/zinc/23/96/83/204239683.db2.gz MGWUDSFEZPZXMB-JOCHJYFZSA-N 0 0 394.902 5.208 50 0 GKAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](C)CC)CC2=O)cc1 ZINC000007343662 204239734 /nfs/dbraw/zinc/23/97/34/204239734.db2.gz WWFKQZYWUQZVSM-ROUUACIJSA-N 0 0 391.515 5.002 50 0 GKAARN COc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3C)cs2)cc1OC ZINC000007402880 204241494 /nfs/dbraw/zinc/24/14/94/204241494.db2.gz CZFLKXNCZRSMIK-UHFFFAOYSA-N 0 0 388.876 5.041 50 0 GKAARN C[C@H](c1ccccc1)n1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000007544873 204241998 /nfs/dbraw/zinc/24/19/98/204241998.db2.gz LPWLOSXJIVAHBQ-MJGOQNOKSA-N 0 0 399.469 5.305 50 0 GKAARN CC(C)CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007544669 204242101 /nfs/dbraw/zinc/24/21/01/204242101.db2.gz ZFWPRVSTEQVCGA-MRXNPFEDSA-N 0 0 381.907 5.256 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000007543431 204242689 /nfs/dbraw/zinc/24/26/89/204242689.db2.gz SQIYBUVJDTZEBA-FQEVSTJZSA-N 0 0 389.543 5.700 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007542613 204242818 /nfs/dbraw/zinc/24/28/18/204242818.db2.gz LGKMDHMSPFVXPF-INIZCTEOSA-N 0 0 381.907 5.400 50 0 GKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(Cl)cc1Cl ZINC000007580483 204243555 /nfs/dbraw/zinc/24/35/55/204243555.db2.gz YZCWCCAKXQFDMG-UHFFFAOYSA-N 0 0 395.311 5.289 50 0 GKAARN Cc1cc(-c2nnc(CSc3nc(C)cc(-c4ccccc4)n3)o2)c(C)o1 ZINC000007625284 204245390 /nfs/dbraw/zinc/24/53/90/204245390.db2.gz 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CCCCc1ccc(-c2csc3c2C(=O)N[C@@H](c2cn(CC)nc2C)N3)cc1 ZINC000006890866 204220356 /nfs/dbraw/zinc/22/03/56/204220356.db2.gz ZIQHGYTYVPNIFJ-HXUWFJFHSA-N 0 0 394.544 5.137 50 0 GKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000008553775 204279949 /nfs/dbraw/zinc/27/99/49/204279949.db2.gz CYXAJHBRHUNWPW-QFIPXVFZSA-N 0 0 385.854 5.480 50 0 GKAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000008586671 204280063 /nfs/dbraw/zinc/28/00/63/204280063.db2.gz MWWWAIBQKQVXPG-UHFFFAOYSA-N 0 0 379.525 5.901 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 ZINC000008598954 204280839 /nfs/dbraw/zinc/28/08/39/204280839.db2.gz XIYCBXUNCHCUJJ-UHFFFAOYSA-N 0 0 384.483 5.413 50 0 GKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3C)c2)c1C ZINC000008600239 204281168 /nfs/dbraw/zinc/28/11/68/204281168.db2.gz IMWDFTFVLOWASU-UHFFFAOYSA-N 0 0 390.892 5.029 50 0 GKAARN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000008600751 204281396 /nfs/dbraw/zinc/28/13/96/204281396.db2.gz FBLMEIDGPVNRFF-UHFFFAOYSA-N 0 0 388.920 5.281 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)cc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000008607116 204281416 /nfs/dbraw/zinc/28/14/16/204281416.db2.gz HJLFIZGPBCCFCM-UHFFFAOYSA-N 0 0 394.544 5.329 50 0 GKAARN O=C(CCCSc1nc2ccccc2[nH]1)OCc1c(Cl)cccc1Cl ZINC000008656934 204283003 /nfs/dbraw/zinc/28/30/03/204283003.db2.gz HUGFCAMEZBVOCZ-UHFFFAOYSA-N 0 0 395.311 5.485 50 0 GKAARN Cc1nc2cc(Nc3nnc(-c4ccc(Cl)cc4)c4ccccc43)ccc2n1C ZINC000008656901 204283561 /nfs/dbraw/zinc/28/35/61/204283561.db2.gz LAMOWJFBWVRKIB-UHFFFAOYSA-N 0 0 399.885 5.889 50 0 GKAARN Oc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc32)cc1 ZINC000008656595 204283963 /nfs/dbraw/zinc/28/39/63/204283963.db2.gz IYIWVOFWICPQSF-UHFFFAOYSA-N 0 0 392.256 5.509 50 0 GKAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000009096277 204298247 /nfs/dbraw/zinc/29/82/47/204298247.db2.gz OWIIZLRRGBUKEU-GOSISDBHSA-N 0 0 384.483 5.093 50 0 GKAARN O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1C1CCCC1 ZINC000008720186 204286438 /nfs/dbraw/zinc/28/64/38/204286438.db2.gz WXUAANDNZXBQIE-NRFANRHFSA-N 0 0 392.890 5.239 50 0 GKAARN Cc1nn(-c2ccccc2)c(Cl)c1CN(Cc1ccco1)Cc1ccco1 ZINC000008718647 204286536 /nfs/dbraw/zinc/28/65/36/204286536.db2.gz KAPVTPICCZIQTM-UHFFFAOYSA-N 0 0 381.863 5.223 50 0 GKAARN COc1ccc(-c2nc(CSc3nc4ccccc4n3C)cs2)cc1OC ZINC000008807645 204290858 /nfs/dbraw/zinc/29/08/58/204290858.db2.gz HLJDANVWJZHWHI-UHFFFAOYSA-N 0 0 397.525 5.006 50 0 GKAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000008817810 204291059 /nfs/dbraw/zinc/29/10/59/204291059.db2.gz ZVVUGRROYMAPQF-UHFFFAOYSA-N 0 0 377.451 5.535 50 0 GKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCc3ccc(C)cc3)cc12 ZINC000008912272 204293254 /nfs/dbraw/zinc/29/32/54/204293254.db2.gz UGKXDKGZZHKQIQ-UHFFFAOYSA-N 0 0 396.534 5.853 50 0 GKAARN Cc1c(C[NH2+]CCC2=CCCCC2)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000008932410 204294117 /nfs/dbraw/zinc/29/41/17/204294117.db2.gz 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ZINC000009052566 204296586 /nfs/dbraw/zinc/29/65/86/204296586.db2.gz MUZKCEMCDBKODA-MRXNPFEDSA-N 0 0 382.529 5.327 50 0 GKAARN C[C@@H](C(=O)NCCc1ccc(O)cc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009050827 204297050 /nfs/dbraw/zinc/29/70/50/204297050.db2.gz ANDQFXZFWGVTNH-CQSZACIVSA-N 0 0 392.886 5.143 50 0 GKAARN Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@H]3c3cccs3)cs2)cc1 ZINC000008036546 204259012 /nfs/dbraw/zinc/25/90/12/204259012.db2.gz FVBPRDPAQVJULJ-SFHVURJKSA-N 0 0 397.569 5.031 50 0 GKAARN c1csc(-c2nc(CN3CCCC[C@H]3c3nc4ccccc4s3)co2)c1 ZINC000008005132 204259136 /nfs/dbraw/zinc/25/91/36/204259136.db2.gz GZFHSJWRVXGXKH-INIZCTEOSA-N 0 0 381.526 5.740 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000008007685 204259825 /nfs/dbraw/zinc/25/98/25/204259825.db2.gz RGBCBSRKIXQKHR-UHFFFAOYSA-N 0 0 379.529 6.013 50 0 GKAARN COc1cc(CN(C)C(=O)/C=C/c2ccsc2)ccc1OCc1ccccc1 ZINC000008074156 204260203 /nfs/dbraw/zinc/26/02/03/204260203.db2.gz BZLOIBBMNSBTQA-PKNBQFBNSA-N 0 0 393.508 5.008 50 0 GKAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccs1 ZINC000008073174 204260515 /nfs/dbraw/zinc/26/05/15/204260515.db2.gz WAPNKYWUMUAGBS-UHFFFAOYSA-N 0 0 376.275 5.043 50 0 GKAARN O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc[nH]1 ZINC000008074107 204260703 /nfs/dbraw/zinc/26/07/03/204260703.db2.gz UIQQFTUPBOUBBH-UHFFFAOYSA-N 0 0 386.908 5.017 50 0 GKAARN CCOCCSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000008090129 204261549 /nfs/dbraw/zinc/26/15/49/204261549.db2.gz YURYALFSUBLOOW-UHFFFAOYSA-N 0 0 398.919 5.198 50 0 GKAARN CC(C)c1ccccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008102945 204261625 /nfs/dbraw/zinc/26/16/25/204261625.db2.gz YPRDIVPRRGBEIS-KRWDZBQOSA-N 0 0 394.540 5.205 50 0 GKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000008128934 204261919 /nfs/dbraw/zinc/26/19/19/204261919.db2.gz LYDAPUXVVYIETF-UHFFFAOYSA-N 0 0 391.254 5.430 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COCc1nc2ccccc2s1 ZINC000008131132 204263333 /nfs/dbraw/zinc/26/33/33/204263333.db2.gz 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O=C(CSCc1nc2ccccc2s1)N1CCC(Cc2ccccc2)CC1 ZINC000011101501 204342985 /nfs/dbraw/zinc/34/29/85/204342985.db2.gz LOQREFWGUCPWPX-UHFFFAOYSA-N 0 0 396.581 5.011 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1Cl ZINC000011096669 204343257 /nfs/dbraw/zinc/34/32/57/204343257.db2.gz IOFBIWIVGKATBM-UHFFFAOYSA-N 0 0 378.859 5.082 50 0 GKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc3ccccc32)cc1 ZINC000012403993 204405231 /nfs/dbraw/zinc/40/52/31/204405231.db2.gz JWIKPNSCURVCHF-AHWVRZQESA-N 0 0 376.459 6.082 50 0 GKAARN O=C(C1CC1)N(Cc1ccc(OC2CCCCCCC2)cc1)Cc1cccnc1 ZINC000012185696 204379633 /nfs/dbraw/zinc/37/96/33/204379633.db2.gz PIWAMTGEWKVENG-UHFFFAOYSA-N 0 0 392.543 5.512 50 0 GKAARN Clc1ccc(Sc2c(-c3ccccc3)nc3sc4c(n32)CCCC4)cc1 ZINC000012523818 204417048 /nfs/dbraw/zinc/41/70/48/204417048.db2.gz OCFPHXGZRBVVPV-UHFFFAOYSA-N 0 0 396.968 6.746 50 0 GKAARN COc1ccc(CN(C(=O)c2ccc(C)s2)C2CCCC2)cc1OC(C)C ZINC000012219013 204383438 /nfs/dbraw/zinc/38/34/38/204383438.db2.gz 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Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000012757088 204443781 /nfs/dbraw/zinc/44/37/81/204443781.db2.gz XHSZWSIABAIXTL-QGZVFWFLSA-N 0 0 389.455 5.045 50 0 GKAARN Clc1ccccc1COc1cnnc(SCc2ccccc2Cl)n1 ZINC000027752345 209177291 /nfs/dbraw/zinc/17/72/91/209177291.db2.gz WOGUJERKNCDFNZ-UHFFFAOYSA-N 0 0 378.284 5.050 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc(SC(F)F)nc1C ZINC000012974525 204470431 /nfs/dbraw/zinc/47/04/31/204470431.db2.gz FNXUNVZVJONQDP-UHFFFAOYSA-N 0 0 393.503 5.411 50 0 GKAARN CCC(C)(C)[C@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCC4 ZINC000012970700 204471221 /nfs/dbraw/zinc/47/12/21/204471221.db2.gz VEHVYJNZTDZLNX-SFHVURJKSA-N 0 0 389.608 7.302 50 0 GKAARN Cc1ccc([C@@H]2CCCN2C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 ZINC000012989296 204473580 /nfs/dbraw/zinc/47/35/80/204473580.db2.gz MLXCPPRMFVWZNM-FQEVSTJZSA-N 0 0 396.487 5.147 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1ccccc1F ZINC000012816234 204454093 /nfs/dbraw/zinc/45/40/93/204454093.db2.gz HCWDWIKLOSDHIM-JTQLQIEISA-N 0 0 376.790 5.073 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@@H](CCSC)NC(=O)c1ccccc1 ZINC000013562904 204495428 /nfs/dbraw/zinc/49/54/28/204495428.db2.gz KTILELKNJCNOAX-HXUWFJFHSA-N 0 0 395.572 5.451 50 0 GKAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1(c2ccccc2)CCC1 ZINC000014118999 204523406 /nfs/dbraw/zinc/52/34/06/204523406.db2.gz GYDGCKIJODFNCO-JOCHJYFZSA-N 0 0 375.899 5.668 50 0 GKAARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccccc1Cl ZINC000000640868 209166792 /nfs/dbraw/zinc/16/67/92/209166792.db2.gz DYJVSUWZJVXIHG-UHFFFAOYSA-N 0 0 375.049 5.675 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)Oc1cc(Cl)c(Cl)cc1Cl ZINC000002149407 209169492 /nfs/dbraw/zinc/16/94/92/209169492.db2.gz BBXYMUHZJVNZMA-UHFFFAOYSA-N 0 0 384.568 6.277 50 0 GKAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)c1 ZINC000013769238 204513312 /nfs/dbraw/zinc/51/33/12/204513312.db2.gz MKHLKIGKOZZMSA-FYYLOGMGSA-N 0 0 390.870 5.591 50 0 GKAARN O=C1C2=C(CCCC2)[C@@H](NCc2ccc(F)cc2)N1[C@@H]1CCCc2ccccc21 ZINC000013940366 204517594 /nfs/dbraw/zinc/51/75/94/204517594.db2.gz NRUUXPMTCSCTPL-RPWUZVMVSA-N 0 0 390.502 5.032 50 0 GKAARN CSc1cccc(NC(=O)N2CCC(CCC(=O)Nc3ccccc3)CC2)c1 ZINC000015065519 204557594 /nfs/dbraw/zinc/55/75/94/204557594.db2.gz QRVHVAIVDUGMGZ-UHFFFAOYSA-N 0 0 397.544 5.071 50 0 GKAARN CCOc1ccccc1NC(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679103 204571370 /nfs/dbraw/zinc/57/13/70/204571370.db2.gz QLLBYNKGZCPMQV-UHFFFAOYSA-N 0 0 393.462 5.067 50 0 GKAARN Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc3c2cnn3C)c(C)c1 ZINC000015682331 204571744 /nfs/dbraw/zinc/57/17/44/204571744.db2.gz WEKXKZNNPKYNCW-UHFFFAOYSA-N 0 0 378.867 5.121 50 0 GKAARN Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3C)c2-n2cccc2)cc1 ZINC000015681256 204571962 /nfs/dbraw/zinc/57/19/62/204571962.db2.gz ZTLHECMNEOAEIB-UHFFFAOYSA-N 0 0 390.874 5.186 50 0 GKAARN Cc1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1C ZINC000015732100 204574574 /nfs/dbraw/zinc/57/45/74/204574574.db2.gz CDTFGXPNRAGDNU-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@@H]2c2cccs2)CCCCC1 ZINC000015867149 204583493 /nfs/dbraw/zinc/58/34/93/204583493.db2.gz AJWPYVWXDASTHR-QGZVFWFLSA-N 0 0 392.565 5.031 50 0 GKAARN CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2nc3ccccc3s2)CC1 ZINC000018069443 204615525 /nfs/dbraw/zinc/61/55/25/204615525.db2.gz AXRGCFGEBBFZFY-UHFFFAOYSA-N 0 0 388.533 5.163 50 0 GKAARN O=S(=O)(c1ccccc1)c1ccccc1C(c1ccccc1)c1ccccc1 ZINC000018194645 204618933 /nfs/dbraw/zinc/61/89/33/204618933.db2.gz SDSQTQKHBKYNOY-UHFFFAOYSA-N 0 0 384.500 5.700 50 0 GKAARN CC(C)=CCC/C(C)=C/COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 ZINC000016738665 204599635 /nfs/dbraw/zinc/59/96/35/204599635.db2.gz QJNVXHWLZHAAOW-CPNJWEJPSA-N 0 0 388.507 6.840 50 0 GKAARN CC(C)OP(=O)(OC(C)C)[C@H](NCc1ccccc1)c1ccccc1F ZINC000020081743 204700344 /nfs/dbraw/zinc/70/03/44/204700344.db2.gz GPIHOVQDGXNEIM-FQEVSTJZSA-N 0 0 379.412 5.657 50 0 GKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000020605347 204732262 /nfs/dbraw/zinc/73/22/62/204732262.db2.gz CBZAFTJJMNRGLG-UHFFFAOYSA-N 0 0 389.352 5.962 50 0 GKAARN COC(=O)c1cccc(COc2ccc3occ(-c4cc5ccccc5o4)c3c2)c1 ZINC000096116575 211966040 /nfs/dbraw/zinc/96/60/40/211966040.db2.gz QGTXUCHYHNSIKM-UHFFFAOYSA-N 0 0 398.414 6.212 50 0 biogenic GKAARN Clc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c(Cl)c1 ZINC000020191048 204707626 /nfs/dbraw/zinc/70/76/26/204707626.db2.gz SCXZMLBPAFTJOP-UHFFFAOYSA-N 0 0 397.290 6.004 50 0 GKAARN CC[C@@H](C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000096119675 211965478 /nfs/dbraw/zinc/96/54/78/211965478.db2.gz SRKOGHRGGZTOQL-GOSISDBHSA-N 0 0 387.439 5.053 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccccc3)no2)cc1C ZINC000021524248 204758458 /nfs/dbraw/zinc/75/84/58/204758458.db2.gz MFQFMQRIXNHOKP-UHFFFAOYSA-N 0 0 386.451 5.394 50 0 GKAARN Cc1c(C(=O)NC2CCCC2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900657 204743925 /nfs/dbraw/zinc/74/39/25/204743925.db2.gz BVOPOIURMQCHAP-UHFFFAOYSA-N 0 0 381.472 5.082 50 0 biogenic GKAARN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 ZINC000020942505 204747575 /nfs/dbraw/zinc/74/75/75/204747575.db2.gz DLMAOXMDTUBRPW-CMDGGOBGSA-N 0 0 394.496 5.018 50 0 GKAARN Cc1c(C[NH2+][C@@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025312 204751129 /nfs/dbraw/zinc/75/11/29/204751129.db2.gz IBIMXSZZRXYRCK-SFHVURJKSA-N 0 0 390.527 5.212 50 0 GKAARN Cc1cc(NC2CCCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000021799140 204764964 /nfs/dbraw/zinc/76/49/64/204764964.db2.gz XGOUAQKGWZQERI-UHFFFAOYSA-N 0 0 392.400 5.607 50 0 GKAARN Cc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000021879861 204767519 /nfs/dbraw/zinc/76/75/19/204767519.db2.gz JCCXPPDQVKIKGX-DEOSSOPVSA-N 0 0 399.469 5.795 50 0 GKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2CC)cc1 ZINC000021890028 204768578 /nfs/dbraw/zinc/76/85/78/204768578.db2.gz JBUNBWVSHXZHMO-FQEVSTJZSA-N 0 0 375.472 5.375 50 0 GKAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891609 204769331 /nfs/dbraw/zinc/76/93/31/204769331.db2.gz CUDZZVJIBXVAKQ-OAQYLSRUSA-N 0 0 379.529 5.200 50 0 GKAARN CC(C)NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021894033 204769569 /nfs/dbraw/zinc/76/95/69/204769569.db2.gz JRCGVFBYTYSYRF-NRFANRHFSA-N 0 0 379.891 5.154 50 0 GKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1cccc(F)c1 ZINC000023333330 204802841 /nfs/dbraw/zinc/80/28/41/204802841.db2.gz QWJOZINHBWSWPJ-CQSZACIVSA-N 0 0 397.471 5.468 50 0 GKAARN O=C(c1ccc(F)c(F)c1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023329539 204803288 /nfs/dbraw/zinc/80/32/88/204803288.db2.gz QDGZUZQIHIKKEG-OAQYLSRUSA-N 0 0 383.825 5.406 50 0 GKAARN COc1ccc(-c2ccc3nc(-c4cc(C)ccc4C)oc3c2)c(OC)c1OC ZINC000023449742 204807447 /nfs/dbraw/zinc/80/74/47/204807447.db2.gz NIFHHTNQIFIQNV-UHFFFAOYSA-N 0 0 389.451 5.804 50 0 GKAARN COc1ccc(-c2ccc3nc(-c4cccc(F)c4C)oc3c2)c(OC)c1OC ZINC000023451618 204807685 /nfs/dbraw/zinc/80/76/85/204807685.db2.gz GXWPTAIRVSKESA-UHFFFAOYSA-N 0 0 393.414 5.635 50 0 GKAARN FC(F)(F)c1ccc(-c2nc(CSc3nc4ccccc4o3)cs2)cc1 ZINC000023440573 204808184 /nfs/dbraw/zinc/80/81/84/204808184.db2.gz XSNMJPFDWXNHDA-UHFFFAOYSA-N 0 0 392.427 6.262 50 0 GKAARN CC(=O)N(CC[C@@](C)(c1ccc(Cl)cc1)C1CC1)[C@H]1CCOC(C)(C)C1 ZINC000032092832 211938327 /nfs/dbraw/zinc/93/83/27/211938327.db2.gz OEFXBSIXMWDHAI-RBBKRZOGSA-N 0 0 377.956 5.204 50 0 GKAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1Sc1ccccc1 ZINC000024747277 204823754 /nfs/dbraw/zinc/82/37/54/204823754.db2.gz PASBPEHQTMMYOX-UHFFFAOYSA-N 0 0 385.492 5.205 50 0 GKAARN COc1ccc(-c2nc(NC(=O)Cc3c(C)[nH]c4ccccc43)sc2C)cc1 ZINC000024669265 204824205 /nfs/dbraw/zinc/82/42/05/204824205.db2.gz SXEVDJWHQZCGHQ-UHFFFAOYSA-N 0 0 391.496 5.098 50 0 GKAARN COc1ccccc1Oc1ccc(NC(=O)Cc2c(C)[nH]c3ccccc32)cc1 ZINC000024782839 204825736 /nfs/dbraw/zinc/82/57/36/204825736.db2.gz FDRQXEUSKBRCOX-UHFFFAOYSA-N 0 0 386.451 5.458 50 0 GKAARN CC(=O)Nc1c(C)cc(C)c(-c2csc(N[C@@H](C)c3ccccc3)n2)c1C ZINC000024841335 204826677 /nfs/dbraw/zinc/82/66/77/204826677.db2.gz KYYYHJPZQFAODD-INIZCTEOSA-N 0 0 379.529 5.867 50 0 GKAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2csc(C)n2)cc1 ZINC000027865781 204863223 /nfs/dbraw/zinc/86/32/23/204863223.db2.gz UGGVXJPRRSGCPG-NRFANRHFSA-N 0 0 393.512 5.007 50 0 GKAARN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027794296 204863550 /nfs/dbraw/zinc/86/35/50/204863550.db2.gz HGNAKIDWCUIYBG-OAQYLSRUSA-N 0 0 394.474 5.784 50 0 GKAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1cccs1)c1ncccc1C ZINC000027995056 204864621 /nfs/dbraw/zinc/86/46/21/204864621.db2.gz KWGCPZMCDOIRCO-UHFFFAOYSA-N 0 0 380.444 5.492 50 0 GKAARN COc1ccccc1-c1cnn2c1nc(C)cc2Nc1ccc(Cl)c(Cl)c1 ZINC000027586306 204857991 /nfs/dbraw/zinc/85/79/91/204857991.db2.gz UIFAZVAQLNQHRJ-UHFFFAOYSA-N 0 0 399.281 5.764 50 0 GKAARN CCCCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)c2cccnc12 ZINC000032622581 204914769 /nfs/dbraw/zinc/91/47/69/204914769.db2.gz FJAUZPQPKHCCQR-UHFFFAOYSA-N 0 0 393.468 5.383 50 0 GKAARN CCN(C(=O)c1sc2nc(C)cc(C(F)(F)F)c2c1C)c1ccccc1 ZINC000032809321 204921598 /nfs/dbraw/zinc/92/15/98/204921598.db2.gz LEZRCHYBHXAWEE-UHFFFAOYSA-N 0 0 378.419 5.599 50 0 GKAARN Cc1c(C(=O)Nc2cccc(C)c2)sc2c1[C@H](c1ccc(O)cc1)CC(=O)N2 ZINC000032092856 204908806 /nfs/dbraw/zinc/90/88/06/204908806.db2.gz HTAMDJSERHCTPD-KRWDZBQOSA-N 0 0 392.480 5.446 50 0 GKAARN Cc1ccc(NC(=O)Nc2cccc(-c3cc4cc(Cl)ccc4[nH]3)c2)cc1C ZINC000033020658 204938894 /nfs/dbraw/zinc/93/88/94/204938894.db2.gz RGWABKXJLIFNOW-UHFFFAOYSA-N 0 0 389.886 6.749 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000033027745 204941491 /nfs/dbraw/zinc/94/14/91/204941491.db2.gz RHAOLSWDPXKSBW-UHFFFAOYSA-N 0 0 376.456 5.093 50 0 GKAARN CCC[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1cccs1 ZINC000033052744 204943000 /nfs/dbraw/zinc/94/30/00/204943000.db2.gz QUNRVVLDBZSIFI-HXUWFJFHSA-N 0 0 387.508 5.630 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033128661 204948693 /nfs/dbraw/zinc/94/86/93/204948693.db2.gz KUVCXEIFJRUKQA-UHFFFAOYSA-N 0 0 385.467 5.150 50 0 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ZINC000044837553 205087163 /nfs/dbraw/zinc/08/71/63/205087163.db2.gz VCPVMJCERQKXEB-UHFFFAOYSA-N 0 0 390.668 5.053 50 0 GKAARN CC(C)(C)c1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000008783301 209133618 /nfs/dbraw/zinc/13/36/18/209133618.db2.gz ISTWABUUVWETME-HSZRJFAPSA-N 0 0 375.487 6.549 50 0 GKAARN Cc1cc(C)c(-n2ccnc2P(C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000045074621 205093233 /nfs/dbraw/zinc/09/32/33/205093233.db2.gz ZRVANNJGPCSNAH-UHFFFAOYSA-N 0 0 382.532 6.570 50 0 GKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(C)c1C ZINC000041078087 205077439 /nfs/dbraw/zinc/07/74/39/205077439.db2.gz FJBCECGHSJDJEW-UHFFFAOYSA-N 0 0 391.515 5.206 50 0 GKAARN COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@@H](C)c1nnc(C)o1 ZINC000048188122 205115535 /nfs/dbraw/zinc/11/55/35/205115535.db2.gz BSSIMAZCXJCUET-AWEZNQCLSA-N 0 0 392.484 5.093 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(C)c(F)c2)n1 ZINC000049005223 205124039 /nfs/dbraw/zinc/12/40/39/205124039.db2.gz ICNKIXVUSFQDIB-MRXNPFEDSA-N 0 0 392.478 5.144 50 0 GKAARN Clc1cccc(Cn2cc(-c3cnn(Cc4cccc(Cl)c4)c3)cn2)c1 ZINC000049574112 205127869 /nfs/dbraw/zinc/12/78/69/205127869.db2.gz JLEHEHJFKIUIFC-UHFFFAOYSA-N 0 0 383.282 5.150 50 0 GKAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)c(F)c1 ZINC000045943161 205099892 /nfs/dbraw/zinc/09/98/92/205099892.db2.gz OETWUNFFPYEMEN-UHFFFAOYSA-N 0 0 380.803 5.004 50 0 GKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(Cl)ccc1C ZINC000045967448 205100206 /nfs/dbraw/zinc/10/02/06/205100206.db2.gz NRKQPJIHDZULFV-UHFFFAOYSA-N 0 0 383.879 5.250 50 0 GKAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000046075866 205104378 /nfs/dbraw/zinc/10/43/78/205104378.db2.gz BZOWQRBTTGULEV-IBGZPJMESA-N 0 0 377.509 6.068 50 0 GKAARN Cc1cc2c(cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)OCCCO2 ZINC000046077862 205104426 /nfs/dbraw/zinc/10/44/26/205104426.db2.gz HXELYUXQXUMPHY-UHFFFAOYSA-N 0 0 385.769 5.081 50 0 GKAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076952 205104846 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Cc1oc(-c2cccc(F)c2F)nc1CN(C)Cc1ccccc1C(F)(F)F ZINC000055042248 205141927 /nfs/dbraw/zinc/14/19/27/205141927.db2.gz OKDZCMRWNWSETE-UHFFFAOYSA-N 0 0 396.359 5.579 50 0 GKAARN CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)N2CCCCCCC2)cc1 ZINC000056770139 205151890 /nfs/dbraw/zinc/15/18/90/205151890.db2.gz MESJBWSUWIATET-UHFFFAOYSA-N 0 0 399.922 5.415 50 0 GKAARN c1ccc(CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)cc1 ZINC000057440231 205157184 /nfs/dbraw/zinc/15/71/84/205157184.db2.gz MJZZWZKKZZPBPL-AREMUKBSSA-N 0 0 384.567 6.582 50 0 GKAARN O=c1nc(CN2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccccc3)c21 ZINC000057457277 205157851 /nfs/dbraw/zinc/15/78/51/205157851.db2.gz RNFXXDOMBWRYON-MRXNPFEDSA-N 0 0 393.537 5.050 50 0 GKAARN C[C@H](N[C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl ZINC000057644972 205161215 /nfs/dbraw/zinc/16/12/15/205161215.db2.gz RRQDSXYZJNESQP-ORAYPTAESA-N 0 0 388.895 5.247 50 0 GKAARN Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3C(C)C)cs2)cc1 ZINC000058315148 205171194 /nfs/dbraw/zinc/17/11/94/205171194.db2.gz 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/nfs/dbraw/zinc/21/12/03/205211203.db2.gz LYICHLMQFNFLAT-UHFFFAOYSA-N 0 0 394.427 5.264 50 0 GKAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3F)c3ccccc32)cc1 ZINC000065130644 205211590 /nfs/dbraw/zinc/21/15/90/205211590.db2.gz JNCXRCSEXSPNHP-UHFFFAOYSA-N 0 0 379.822 5.379 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165084 205214179 /nfs/dbraw/zinc/21/41/79/205214179.db2.gz YSXUWNORUGXSOJ-UHFFFAOYSA-N 0 0 398.919 5.019 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000065153665 205214920 /nfs/dbraw/zinc/21/49/20/205214920.db2.gz BUXMUJBMLGZTKB-UHFFFAOYSA-N 0 0 380.451 5.075 50 0 GKAARN COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1Cl ZINC000064471967 205189965 /nfs/dbraw/zinc/18/99/65/205189965.db2.gz NBDWWQOSFVMDNC-UHFFFAOYSA-N 0 0 399.853 5.016 50 0 GKAARN O=C(NCc1cccnc1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000064472782 205190524 /nfs/dbraw/zinc/19/05/24/205190524.db2.gz BARIYWUENVGGPG-UHFFFAOYSA-N 0 0 393.899 5.184 50 0 GKAARN COc1ccccc1NC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578541 205191223 /nfs/dbraw/zinc/19/12/23/205191223.db2.gz KCDNNLQXIFAOEG-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1nc(COc2cc(C)ccc2C)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000064579759 205192057 /nfs/dbraw/zinc/19/20/57/205192057.db2.gz FRABUDCMIIOWIY-UHFFFAOYSA-N 0 0 386.904 5.553 50 0 GKAARN C[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)c1ccccc1 ZINC000064657675 205192212 /nfs/dbraw/zinc/19/22/12/205192212.db2.gz QRXZNAYDHASSGI-OAHLLOKOSA-N 0 0 394.927 5.901 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c(C)c1 ZINC000064578739 205192641 /nfs/dbraw/zinc/19/26/41/205192641.db2.gz NOHDRNNBPNCCSU-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN CCOc1ccccc1CNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657428 205192814 /nfs/dbraw/zinc/19/28/14/205192814.db2.gz HHEBIRLULUMSLA-UHFFFAOYSA-N 0 0 390.508 5.085 50 0 GKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)c(C)c2)CC3)cc1 ZINC000064659825 205192948 /nfs/dbraw/zinc/19/29/48/205192948.db2.gz 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Cc1ccc2c(c1)sc1nc(-c3ccc(O)cc3)c(NCCCOC(C)C)n21 ZINC000065319301 205229183 /nfs/dbraw/zinc/22/91/83/205229183.db2.gz HFGHSSOHATVEFD-UHFFFAOYSA-N 0 0 395.528 5.457 50 0 GKAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc(Cc3ccc(F)cc3)n2)c1 ZINC000065330147 205230042 /nfs/dbraw/zinc/23/00/42/205230042.db2.gz QVQSLNQWKPJSTH-UHFFFAOYSA-N 0 0 388.402 5.111 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c(Cl)c1 ZINC000065320551 205230772 /nfs/dbraw/zinc/23/07/72/205230772.db2.gz MJCULGLCZOQUMN-KRWDZBQOSA-N 0 0 382.851 5.067 50 0 GKAARN CCCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322357 205230819 /nfs/dbraw/zinc/23/08/19/205230819.db2.gz ORTCLGYKSZIEOX-UHFFFAOYSA-N 0 0 396.560 5.136 50 0 GKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1Cl ZINC000067297416 205245420 /nfs/dbraw/zinc/24/54/20/205245420.db2.gz CVCOBPJEBRYUBA-ROMGYVFFSA-N 0 0 392.817 5.710 50 0 GKAARN Cc1nn(C)c(Cl)c1-c1c(-c2ccccc2)ncn1[C@H](C)Cc1ccccn1 ZINC000065394992 205233573 /nfs/dbraw/zinc/23/35/73/205233573.db2.gz 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205238219 /nfs/dbraw/zinc/23/82/19/205238219.db2.gz KXCYLTMFWKMSGO-CQSZACIVSA-N 0 0 381.430 5.407 50 0 GKAARN CSc1ccc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 ZINC000065567464 205238374 /nfs/dbraw/zinc/23/83/74/205238374.db2.gz UTIIASMCKHUQPN-FQEVSTJZSA-N 0 0 382.554 5.106 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc3cccnc32)cc1 ZINC000065587609 205238519 /nfs/dbraw/zinc/23/85/19/205238519.db2.gz HGBBCXPHDIBOIP-NRFANRHFSA-N 0 0 375.472 5.393 50 0 GKAARN CSc1ccc(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc1 ZINC000065567470 205238539 /nfs/dbraw/zinc/23/85/39/205238539.db2.gz UTIIASMCKHUQPN-HXUWFJFHSA-N 0 0 382.554 5.106 50 0 GKAARN CCc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)c1 ZINC000067297542 205245626 /nfs/dbraw/zinc/24/56/26/205245626.db2.gz MOMIVIHDZMJLEQ-RFBIWTDZSA-N 0 0 398.462 5.489 50 0 GKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2)cc1 ZINC000067190054 205240598 /nfs/dbraw/zinc/24/05/98/205240598.db2.gz SMCUPTQPVYAPAF-LCUIJRPUSA-N 0 0 384.435 5.235 50 0 GKAARN OCC[C@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000066348503 205241901 /nfs/dbraw/zinc/24/19/01/205241901.db2.gz KJMCZWJBHWBPNB-HXUWFJFHSA-N 0 0 397.312 5.542 50 0 GKAARN Cc1cc(C)cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 ZINC000067296877 205245705 /nfs/dbraw/zinc/24/57/05/205245705.db2.gz SJWNDWSKGUOYCF-QPLCGJKRSA-N 0 0 382.463 5.843 50 0 GKAARN CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C)n1 ZINC000067296713 205245744 /nfs/dbraw/zinc/24/57/44/205245744.db2.gz BMDBYBSEEFGDKC-LCUIJRPUSA-N 0 0 399.450 5.020 50 0 GKAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)cc1F ZINC000065184765 205217457 /nfs/dbraw/zinc/21/74/57/205217457.db2.gz KVOKBZGSTHQZIA-UHFFFAOYSA-N 0 0 379.819 5.379 50 0 GKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(F)c1C ZINC000067297087 205245048 /nfs/dbraw/zinc/24/50/48/205245048.db2.gz ICJMMZPFUIAGKP-PNHLSOANSA-N 0 0 386.426 5.673 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000065219179 205219023 /nfs/dbraw/zinc/21/90/23/205219023.db2.gz LXUYVDMOCBFWBI-UHFFFAOYSA-N 0 0 395.871 5.679 50 0 GKAARN Cc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000065219062 205219059 /nfs/dbraw/zinc/21/90/59/205219059.db2.gz ITTQWDPAHVYEHB-UHFFFAOYSA-N 0 0 379.416 5.165 50 0 GKAARN O=C(Cc1cccc(Cl)c1)Nc1ccsc1-c1nc(-c2ccccc2)no1 ZINC000065218826 205219934 /nfs/dbraw/zinc/21/99/34/205219934.db2.gz BIMUCBWMIIKPHP-UHFFFAOYSA-N 0 0 395.871 5.300 50 0 GKAARN Cc1ccc2[nH]c([C@H](NCc3cnc(-c4cccc(C)c4)nc3)C(C)C)nc2c1 ZINC000067678382 205254411 /nfs/dbraw/zinc/25/44/11/205254411.db2.gz GVKWRNPLLHEUSP-JOCHJYFZSA-N 0 0 385.515 5.124 50 0 GKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000068688409 205271690 /nfs/dbraw/zinc/27/16/90/205271690.db2.gz GPGIYEXKGJWEPB-UHFFFAOYSA-N 0 0 377.915 6.992 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000069270552 205272074 /nfs/dbraw/zinc/27/20/74/205272074.db2.gz IMUPVHUDOGQLTJ-CZUORRHYSA-N 0 0 376.859 5.237 50 0 GKAARN CCC[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000068728343 205272099 /nfs/dbraw/zinc/27/20/99/205272099.db2.gz LEZGVYQYVCUQBH-XCXWGBRNSA-N 0 0 376.327 6.001 50 0 GKAARN Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](c1ccccc1)c1ccncc1 ZINC000069350762 205273188 /nfs/dbraw/zinc/27/31/88/205273188.db2.gz IFFKECJYDIHKMP-HXUWFJFHSA-N 0 0 386.476 5.460 50 0 GKAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)c1ccccc1C(F)(F)F ZINC000090592902 205273663 /nfs/dbraw/zinc/27/36/63/205273663.db2.gz IOAYHPSCLGMYCW-UHFFFAOYSA-N 0 0 394.393 5.206 50 0 GKAARN O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1 ZINC000067335415 205246689 /nfs/dbraw/zinc/24/66/89/205246689.db2.gz JEOGCSKMXJNCQU-UHFFFAOYSA-N 0 0 399.393 5.152 50 0 GKAARN O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(F)c(Cl)c1 ZINC000067350427 205247173 /nfs/dbraw/zinc/24/71/73/205247173.db2.gz NQOFPOSXPUTHAY-UHFFFAOYSA-N 0 0 399.853 5.119 50 0 GKAARN C[C@H](Nc1cccc(CO)c1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000071807875 205299273 /nfs/dbraw/zinc/29/92/73/205299273.db2.gz UKWDXZIVKISWDM-INIZCTEOSA-N 0 0 391.902 5.403 50 0 GKAARN Cc1cc(NC(=O)c2ccccc2F)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000071815578 205299443 /nfs/dbraw/zinc/29/94/43/205299443.db2.gz UIWUZNHBNSXSEV-UHFFFAOYSA-N 0 0 397.759 5.244 50 0 GKAARN COc1ccc2oc(C)c(C(=O)Nc3cc(C4CC4)nn3-c3ccccc3)c2c1 ZINC000069632553 205276542 /nfs/dbraw/zinc/27/65/42/205276542.db2.gz ISFSWGMRBDOFAV-UHFFFAOYSA-N 0 0 387.439 5.065 50 0 GKAARN COc1ccc2oc(C)c(C(=O)Nc3ccccc3OCc3cscn3)c2c1 ZINC000070019935 205277692 /nfs/dbraw/zinc/27/76/92/205277692.db2.gz DAJPVNMWNFGUEB-UHFFFAOYSA-N 0 0 394.452 5.038 50 0 GKAARN O=C(Nc1cccc(C2SCCCS2)c1)c1occc1-c1ccccc1 ZINC000070720136 205277814 /nfs/dbraw/zinc/27/78/14/205277814.db2.gz DNMNYMOKOQCRLP-UHFFFAOYSA-N 0 0 381.522 6.068 50 0 GKAARN COc1ccccc1NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000072404758 205344962 /nfs/dbraw/zinc/34/49/62/205344962.db2.gz LAKCRHLDQWNMTA-OAHLLOKOSA-N 0 0 394.298 5.153 50 0 GKAARN O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccccc1C(F)(F)F ZINC000084500278 205393645 /nfs/dbraw/zinc/39/36/45/205393645.db2.gz JBLOUJOGVUGYPZ-UHFFFAOYSA-N 0 0 387.405 5.235 50 0 GKAARN CCCSc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344156 205383607 /nfs/dbraw/zinc/38/36/07/205383607.db2.gz GMGRDYZGGZRWMH-NEPJUHHUSA-N 0 0 388.345 5.089 50 0 GKAARN O=C(Nc1cccc(Br)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344873 205385064 /nfs/dbraw/zinc/38/50/64/205385064.db2.gz FFOHIMUXCXRQHY-GJZGRUSLSA-N 0 0 385.088 5.498 50 0 GKAARN Clc1cccc(/C=C/c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000080346278 205385687 /nfs/dbraw/zinc/38/56/87/205385687.db2.gz AAACQXCOJRJYKP-SNAWJCMRSA-N 0 0 396.947 5.477 50 0 GKAARN Cc1nc(-c2cccc(NC(=O)c3csc(-c4ccccc4)n3)c2)oc1C ZINC000084061827 205391112 /nfs/dbraw/zinc/39/11/12/205391112.db2.gz UGCRFVXXQBKLSJ-UHFFFAOYSA-N 0 0 375.453 5.334 50 0 GKAARN CC(C)n1ccc2c1cccc2NC(=O)c1cn(C(C)C)c(=O)c2ccccc12 ZINC000085878598 205401593 /nfs/dbraw/zinc/40/15/93/205401593.db2.gz LJYTVMGGLCLJQT-UHFFFAOYSA-N 0 0 387.483 5.370 50 0 biogenic GKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649865 205402153 /nfs/dbraw/zinc/40/21/53/205402153.db2.gz MJFQNPWYAYPDDR-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN O=C(Oc1cccc2cccnc21)c1cn(CCCCCF)c2ccccc12 ZINC000095705077 205504564 /nfs/dbraw/zinc/50/45/64/205504564.db2.gz MBOCMBFDYVSGLJ-UHFFFAOYSA-N 0 0 376.431 5.549 50 0 in-vitro GKAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000095975189 205511456 /nfs/dbraw/zinc/51/14/56/205511456.db2.gz RCVXHAVDISNHEE-IHRRRGAJSA-N 0 0 391.503 5.398 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)SC(c1ccccc1)c1ccccc1 ZINC000057991738 211778506 /nfs/dbraw/zinc/77/85/06/211778506.db2.gz NNWKCUSESURYPY-KRWDZBQOSA-N 0 0 395.955 6.498 50 0 GKAARN Cc1ccc(OCc2nnc(SCCSc3ccc(Cl)cc3)o2)cc1 ZINC000058018774 211777371 /nfs/dbraw/zinc/77/73/71/211777371.db2.gz FNNNZJIFZXTSMB-UHFFFAOYSA-N 0 0 392.933 5.495 50 0 GKAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc4ccccc4n3)nn21 ZINC000096194415 205541705 /nfs/dbraw/zinc/54/17/05/205541705.db2.gz ZVKOELIURUVOKU-UHFFFAOYSA-N 0 0 383.436 5.123 50 0 GKAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1C(F)(F)F ZINC000096203798 205542885 /nfs/dbraw/zinc/54/28/85/205542885.db2.gz CZWODTQLRPLPMM-FQEVSTJZSA-N 0 0 384.401 5.061 50 0 GKAARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276002 205553781 /nfs/dbraw/zinc/55/37/81/205553781.db2.gz GPCIIOQWIAOMKT-QRWLVFNGSA-N 0 0 397.906 5.226 50 0 GKAARN COc1ccc(-n2c(SCc3cccc(C)c3)nnc2C2CCCCC2)cc1 ZINC000096299923 205557179 /nfs/dbraw/zinc/55/71/79/205557179.db2.gz IUVGIXRSHLGPBW-UHFFFAOYSA-N 0 0 393.556 5.924 50 0 GKAARN COc1ccc(C)cc1/C=C\C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000096879039 205575375 /nfs/dbraw/zinc/57/53/75/205575375.db2.gz SMVAWTIZBFBPRF-POHAHGRESA-N 0 0 389.480 5.032 50 0 GKAARN CCOC(=O)/C=C\c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000096926314 205576679 /nfs/dbraw/zinc/57/66/79/205576679.db2.gz ACFHLIRUEIBMSD-CNTYAEFGSA-N 0 0 389.904 5.036 50 0 GKAARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)CC1 ZINC000100003272 205602616 /nfs/dbraw/zinc/60/26/16/205602616.db2.gz VDXLRVQMTSSZRM-ZRZAMGCNSA-N 0 0 392.583 7.712 50 0 GKAARN CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)CC1 ZINC000100003826 205604060 /nfs/dbraw/zinc/60/40/60/205604060.db2.gz SQOVWURPHAPWGP-OYRHEFFESA-N 0 0 394.555 7.159 50 0 GKAARN CCOc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000101424616 205621724 /nfs/dbraw/zinc/62/17/24/205621724.db2.gz CCAOTKIHFLARJJ-DEOSSOPVSA-N 0 0 385.488 6.336 50 0 GKAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)CC[C@H]3c2ccccc2)c1 ZINC000101866067 205626900 /nfs/dbraw/zinc/62/69/00/205626900.db2.gz XVJHDDGBRLQPNR-ZFFYZDHPSA-N 0 0 395.502 5.462 50 0 GKAARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000102597541 205632048 /nfs/dbraw/zinc/63/20/48/205632048.db2.gz WKIDLQRMRCFMIQ-HJPURHCSSA-N 0 0 381.435 5.695 50 0 GKAARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 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CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(F)ccc4C)c(N)c3cc2C1 ZINC000000661913 206313438 /nfs/dbraw/zinc/31/34/38/206313438.db2.gz NZXKEQWASTUSHE-LBPRGKRZSA-N 0 0 383.492 5.093 50 0 GKAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1F ZINC000000661635 206313485 /nfs/dbraw/zinc/31/34/85/206313485.db2.gz FYWTZCDSXKFMFO-UHFFFAOYSA-N 0 0 395.434 5.384 50 0 aggregator GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000659174 206313552 /nfs/dbraw/zinc/31/35/52/206313552.db2.gz SMPJAIHDXYRPIW-UHFFFAOYSA-N 0 0 380.753 5.575 50 0 GKAARN CCSc1nnc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)s1 ZINC000000668664 206313977 /nfs/dbraw/zinc/31/39/77/206313977.db2.gz LSYJPFYZTYRLPQ-UHFFFAOYSA-N 0 0 396.497 5.019 50 0 GKAARN O=C(c1ccccc1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000663343 206314094 /nfs/dbraw/zinc/31/40/94/206314094.db2.gz QAOJJHOSMMIGFC-VWLOTQADSA-N 0 0 398.550 6.222 50 0 biogenic GKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000666708 206314176 /nfs/dbraw/zinc/31/41/76/206314176.db2.gz DLCMDJZBGIJTKY-UHFFFAOYSA-N 0 0 379.287 5.001 50 0 GKAARN CC(=O)Nc1ccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)cc1 ZINC000000666495 206314311 /nfs/dbraw/zinc/31/43/11/206314311.db2.gz VZZDTRZUVYOZBU-UHFFFAOYSA-N 0 0 381.526 5.554 50 0 GKAARN CCCc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)OCC)cc1 ZINC000000668934 206314378 /nfs/dbraw/zinc/31/43/78/206314378.db2.gz ZXVPJLPTQFXSIT-UHFFFAOYSA-N 0 0 383.469 5.390 50 0 GKAARN S=C(c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)N1CCCC1 ZINC000000666951 206314586 /nfs/dbraw/zinc/31/45/86/206314586.db2.gz JLUOFPGZFZBZAS-UHFFFAOYSA-N 0 0 389.351 5.768 50 0 GKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000000666354 206314897 /nfs/dbraw/zinc/31/48/97/206314897.db2.gz AVRZLYPHGHJMIO-IBGZPJMESA-N 0 0 387.870 5.461 50 0 GKAARN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1c1ccc(Cl)cc1 ZINC000000675398 206315025 /nfs/dbraw/zinc/31/50/25/206315025.db2.gz OPOKVYFAPDIQMV-UHFFFAOYSA-N 0 0 386.632 5.056 50 0 GKAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(Br)c1 ZINC000000671770 206315664 /nfs/dbraw/zinc/31/56/64/206315664.db2.gz COZJACKBELACJX-UHFFFAOYSA-N 0 0 395.228 5.103 50 0 GKAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000673152 206315698 /nfs/dbraw/zinc/31/56/98/206315698.db2.gz IBWHYPHMSVNPHX-ZDUSSCGKSA-N 0 0 383.289 5.193 50 0 GKAARN CC(=O)N1C[C@H](c2cnc(-c3ccccc3)c(C)c2)C=C(C)[C@H]1c1ccccc1 ZINC000000678467 206315782 /nfs/dbraw/zinc/31/57/82/206315782.db2.gz OWKLUUUEZDCPRP-RSXGOPAZSA-N 0 0 382.507 5.690 50 0 GKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cccc2ccccc21 ZINC000000689049 206316337 /nfs/dbraw/zinc/31/63/37/206316337.db2.gz NJBVNMIEOGKKDN-UHFFFAOYSA-N 0 0 396.277 5.644 50 0 GKAARN CC(=O)Nc1ccc(-n2sc3c(c2=S)-c2ccc(C)cc2NC3(C)C)cc1 ZINC000000680184 206316714 /nfs/dbraw/zinc/31/67/14/206316714.db2.gz RDWUUYDTOMPRGG-UHFFFAOYSA-N 0 0 395.553 5.863 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2nnc(-c3cccs3)s2)cc1 ZINC000000680088 206317037 /nfs/dbraw/zinc/31/70/37/206317037.db2.gz 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206320248 /nfs/dbraw/zinc/32/02/48/206320248.db2.gz IOOQRTGQTISKGP-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN c1nn(-c2ccccc2)c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12 ZINC000000756728 206320973 /nfs/dbraw/zinc/32/09/73/206320973.db2.gz PFSBETTYMYSRCF-UHFFFAOYSA-N 0 0 379.423 5.351 50 0 GKAARN COc1ccc(-n2ccnc2SCC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000009338286 206321549 /nfs/dbraw/zinc/32/15/49/206321549.db2.gz VPWIGVTUDCDXJK-UHFFFAOYSA-N 0 0 395.528 5.044 50 0 GKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000000793968 206322140 /nfs/dbraw/zinc/32/21/40/206322140.db2.gz JRYMEFWSQWIDBN-UHFFFAOYSA-N 0 0 393.918 6.134 50 0 GKAARN Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 ZINC000000807935 206322998 /nfs/dbraw/zinc/32/29/98/206322998.db2.gz XEGDMKONEUXTSO-UHFFFAOYSA-N 0 0 388.492 5.189 50 0 GKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc54)cc3n2)cc1 ZINC000000828088 206325317 /nfs/dbraw/zinc/32/53/17/206325317.db2.gz GRPZRNCYLQKBQS-UHFFFAOYSA-N 0 0 378.435 5.134 50 0 GKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000000828084 206325622 /nfs/dbraw/zinc/32/56/22/206325622.db2.gz AHNHPRISLZIISB-UHFFFAOYSA-N 0 0 397.265 5.288 50 0 GKAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cccc(Cl)c3Cl)nn21 ZINC000000829513 206325826 /nfs/dbraw/zinc/32/58/26/206325826.db2.gz ZPUKAUOYWRWYLQ-UHFFFAOYSA-N 0 0 397.265 5.264 50 0 GKAARN CSc1nc(C)c(CCC(=O)Nc2ccccc2Oc2ccccc2)c(C)n1 ZINC000009455080 206328584 /nfs/dbraw/zinc/32/85/84/206328584.db2.gz MQQGRWHMCRNCOU-UHFFFAOYSA-N 0 0 393.512 5.179 50 0 GKAARN Cc1c(CCNC(=S)Nc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000000867640 206328853 /nfs/dbraw/zinc/32/88/53/206328853.db2.gz XRGUNBSYHNYHBQ-UHFFFAOYSA-N 0 0 399.563 5.527 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)cc1 ZINC000000859788 206329336 /nfs/dbraw/zinc/32/93/36/206329336.db2.gz QTNZEFJFQRKKRH-UHFFFAOYSA-N 0 0 382.463 5.861 50 0 GKAARN Cc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1 ZINC000009504467 206330074 /nfs/dbraw/zinc/33/00/74/206330074.db2.gz UBLJGVCDNLSUMG-UHFFFAOYSA-N 0 0 391.323 5.915 50 0 GKAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009531000 206332005 /nfs/dbraw/zinc/33/20/05/206332005.db2.gz QZPSJYQXAVAWTB-OAHLLOKOSA-N 0 0 382.485 5.627 50 0 GKAARN COc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 ZINC000000887827 206332066 /nfs/dbraw/zinc/33/20/66/206332066.db2.gz UEQACZSIYPABRX-UHFFFAOYSA-N 0 0 378.453 5.539 50 0 biogenic GKAARN CCOc1ccccc1-c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000000937367 206335590 /nfs/dbraw/zinc/33/55/90/206335590.db2.gz JJDYVGCPVZXZHX-UHFFFAOYSA-N 0 0 393.295 5.768 50 0 GKAARN Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1 ZINC000000940097 206336060 /nfs/dbraw/zinc/33/60/60/206336060.db2.gz BBHGOGWYKOOQFU-UHFFFAOYSA-N 0 0 392.432 5.483 50 0 aggregator GKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(OCC)cc1 ZINC000000948606 206336558 /nfs/dbraw/zinc/33/65/58/206336558.db2.gz ADRPVZZHQISFPW-UHFFFAOYSA-N 0 0 384.863 5.516 50 0 GKAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(Br)c1 ZINC000000947136 206336987 /nfs/dbraw/zinc/33/69/87/206336987.db2.gz JASCZQYXPNTTNY-UHFFFAOYSA-N 0 0 383.270 5.464 50 0 GKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)c1cccs1 ZINC000000947024 206337242 /nfs/dbraw/zinc/33/72/42/206337242.db2.gz TVIAWRKCQNOGBJ-UHFFFAOYSA-N 0 0 382.824 5.394 50 0 biogenic GKAARN Cc1ccc(C)c(Oc2coc3cc(OCCc4ccccc4)ccc3c2=O)c1 ZINC000000948941 206337294 /nfs/dbraw/zinc/33/72/94/206337294.db2.gz GJRAJYGJQQYBPG-UHFFFAOYSA-N 0 0 386.447 5.824 50 0 GKAARN COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3OC)C2)c(O)c1 ZINC000000984783 206338468 /nfs/dbraw/zinc/33/84/68/206338468.db2.gz ZKMMMJWVJGIALA-HSZRJFAPSA-N 0 0 391.492 5.767 50 0 GKAARN CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OC ZINC000000982841 206338922 /nfs/dbraw/zinc/33/89/22/206338922.db2.gz QEQGQNLFYDTFLB-UHFFFAOYSA-N 0 0 384.701 5.430 50 0 GKAARN Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1C ZINC000000992979 206339483 /nfs/dbraw/zinc/33/94/83/206339483.db2.gz ZDECKDUKCKEVJL-UHFFFAOYSA-N 0 0 393.870 5.471 50 0 GKAARN CCOc1cc(C(=O)Nc2ccc([C@H](C)CC)cc2)cc(OCC)c1OCC ZINC000000995223 206339739 /nfs/dbraw/zinc/33/97/39/206339739.db2.gz LQAMHLHUUHWWKR-MRXNPFEDSA-N 0 0 385.504 5.649 50 0 GKAARN Cc1cccc(Oc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000000991706 206339807 /nfs/dbraw/zinc/33/98/07/206339807.db2.gz ZLOSWNNZWXOQGE-UHFFFAOYSA-N 0 0 382.257 5.802 50 0 GKAARN COc1ccc(-c2cc(C(=O)Oc3ccccc3C(C)=O)c3ccccc3n2)cc1 ZINC000000992948 206339830 /nfs/dbraw/zinc/33/98/30/206339830.db2.gz OTMOGQCCCMKQHC-UHFFFAOYSA-N 0 0 397.430 5.332 50 0 GKAARN CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000000996570 206340700 /nfs/dbraw/zinc/34/07/00/206340700.db2.gz LRYCSDGXHOCIJE-UHFFFAOYSA-N 0 0 383.879 5.402 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001003098 206341520 /nfs/dbraw/zinc/34/15/20/206341520.db2.gz WGCRRKQEIPEPAK-UHFFFAOYSA-N 0 0 392.409 5.203 50 0 GKAARN CCOC(=O)c1cc(C)ccc1NC(=S)Nc1cc(Cl)ccc1Cl ZINC000001026755 206341917 /nfs/dbraw/zinc/34/19/17/206341917.db2.gz 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Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccco3)c3ccc(C)cc32)cc1 ZINC000001764740 206391476 /nfs/dbraw/zinc/39/14/76/206391476.db2.gz CWGPHSVAIICYFE-RFYAYMHSSA-N 0 0 399.534 6.431 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000001766758 206391552 /nfs/dbraw/zinc/39/15/52/206391552.db2.gz JYECDWQHDHTOJR-UHFFFAOYSA-N 0 0 380.315 6.223 50 0 GKAARN Clc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1 ZINC000010386539 206391593 /nfs/dbraw/zinc/39/15/93/206391593.db2.gz XVYQXFUIOSOHFP-UHFFFAOYSA-N 0 0 390.661 5.519 50 0 GKAARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1Cc1ccccc1 ZINC000010412764 206391889 /nfs/dbraw/zinc/39/18/89/206391889.db2.gz SFALNHZKEMDWGL-UHFFFAOYSA-N 0 0 391.339 5.154 50 0 GKAARN CCCCOC(=O)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1 ZINC000001787719 206392360 /nfs/dbraw/zinc/39/23/60/206392360.db2.gz DMOUAPVWDMRWJU-UHFFFAOYSA-N 0 0 396.270 5.211 50 0 GKAARN CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(OC)cc3OC)c2c1 ZINC000001892365 206392679 /nfs/dbraw/zinc/39/26/79/206392679.db2.gz 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/nfs/dbraw/zinc/39/53/14/206395314.db2.gz YTTJQLIPUULMPX-UHFFFAOYSA-N 0 0 397.288 5.400 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000002051887 206395569 /nfs/dbraw/zinc/39/55/69/206395569.db2.gz WDTOGPZINSOLCP-UHFFFAOYSA-N 0 0 378.859 5.485 50 0 GKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4Cl)ccc3Cl)nc2c1 ZINC000002050822 206395768 /nfs/dbraw/zinc/39/57/68/206395768.db2.gz HRGUMSJPVPZBDI-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN COc1cc(Cl)cc2c1O[C@]1(C=C2)c2ccccc2-c2ccccc2N1C ZINC000002024253 206396319 /nfs/dbraw/zinc/39/63/19/206396319.db2.gz CGGJMJZNSUVYDG-HSZRJFAPSA-N 0 0 375.855 5.724 50 0 GKAARN O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)Nc2sc3c(c21)CCCC3 ZINC000002067577 206396607 /nfs/dbraw/zinc/39/66/07/206396607.db2.gz SRCSEQFGZPHRKM-NRFANRHFSA-N 0 0 390.508 5.060 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)CCC3CCCC3)c2)c1 ZINC000002069759 206396664 /nfs/dbraw/zinc/39/66/64/206396664.db2.gz AIWAPZCPUMFBSS-UHFFFAOYSA-N 0 0 398.934 6.118 50 0 GKAARN CCOc1cccc(C(=O)Oc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000002061943 206396699 /nfs/dbraw/zinc/39/66/99/206396699.db2.gz JYXQQZXQNBUTGW-UHFFFAOYSA-N 0 0 389.476 5.890 50 0 GKAARN Cc1ccc(C)c(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000002066211 206396739 /nfs/dbraw/zinc/39/67/39/206396739.db2.gz MSZZCWSRYADGIZ-QGZVFWFLSA-N 0 0 385.722 5.150 50 0 GKAARN COc1ccc([C@@]2(c3ccccc3F)C=Cc3c(ccc4ccccc43)O2)cc1 ZINC000002069314 206396820 /nfs/dbraw/zinc/39/68/20/206396820.db2.gz LIENQRNQTPPNAN-AREMUKBSSA-N 0 0 382.434 6.337 50 0 GKAARN CCCCCOc1ccc(N[P@](C)(=O)Oc2ccc(C(C)C)cc2)cc1 ZINC000002059531 206396949 /nfs/dbraw/zinc/39/69/49/206396949.db2.gz GDMONDSBBCGMTC-AREMUKBSSA-N 0 0 375.449 6.693 50 0 GKAARN CCc1ccc(C)c(OC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000002065807 206396967 /nfs/dbraw/zinc/39/69/67/206396967.db2.gz RMGVRSYIQDMSQR-NSHDSACASA-N 0 0 387.690 5.891 50 0 GKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cc1 ZINC000002060240 206397020 /nfs/dbraw/zinc/39/70/20/206397020.db2.gz LKWVBODZPXIGNS-UHFFFAOYSA-N 0 0 375.493 5.419 50 0 GKAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000002069771 206397227 /nfs/dbraw/zinc/39/72/27/206397227.db2.gz JTQLZJCPPFNPPW-UHFFFAOYSA-N 0 0 378.859 5.461 50 0 GKAARN CC(C)(C)c1ccc(CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000002060265 206397464 /nfs/dbraw/zinc/39/74/64/206397464.db2.gz BOWUGUHDNKFSSO-PDGQHHTCSA-N 0 0 385.916 5.874 50 0 GKAARN CCCOC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000002069735 206397517 /nfs/dbraw/zinc/39/75/17/206397517.db2.gz LGPLXRYQGREEJC-UHFFFAOYSA-N 0 0 381.859 5.241 50 0 GKAARN O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1c1ccc(F)c(Cl)c1 ZINC000002062497 206397613 /nfs/dbraw/zinc/39/76/13/206397613.db2.gz MKULHXDGVBVLRA-IBGZPJMESA-N 0 0 387.241 5.904 50 0 GKAARN Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)Cc1ccccc1 ZINC000002060904 206397655 /nfs/dbraw/zinc/39/76/55/206397655.db2.gz MGLMDJIONAZRSX-HHHXNRCGSA-N 0 0 383.535 6.059 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)cc1 ZINC000002084807 206397897 /nfs/dbraw/zinc/39/78/97/206397897.db2.gz NWMXZTRNDFWDMF-UHFFFAOYSA-N 0 0 380.491 6.586 50 0 GKAARN Cc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000002079472 206398198 /nfs/dbraw/zinc/39/81/98/206398198.db2.gz COJGCVNFXAIBEF-UHFFFAOYSA-N 0 0 395.458 5.558 50 0 GKAARN O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000002078157 206398251 /nfs/dbraw/zinc/39/82/51/206398251.db2.gz KSWKLOAMEVZQLV-SGNKAXLRSA-N 0 0 383.447 5.168 50 0 GKAARN c1ccc(CCn2c(COc3ccc4ccccc4c3)nc3ccccc32)cc1 ZINC000002087844 206398328 /nfs/dbraw/zinc/39/83/28/206398328.db2.gz RTJKFZACHURCKS-UHFFFAOYSA-N 0 0 378.475 6.011 50 0 GKAARN Cc1ccc2nc(-c3ccccc3)c(C)c(C(=O)OCC(=O)c3ccccc3)c2c1 ZINC000002079467 206398388 /nfs/dbraw/zinc/39/83/88/206398388.db2.gz CYKHHULKLHIEKY-UHFFFAOYSA-N 0 0 395.458 5.558 50 0 GKAARN COc1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)c(OC)c1 ZINC000002087695 206398421 /nfs/dbraw/zinc/39/84/21/206398421.db2.gz ZKSVHJPFCXMRBV-YADHBBJMSA-N 0 0 381.859 5.588 50 0 GKAARN O=C1O[C@H](c2ccc3ccccc3c2)SC1(c1ccccc1)c1ccccc1 ZINC000002077467 206398428 /nfs/dbraw/zinc/39/84/28/206398428.db2.gz MWFOXHDKNLHDNK-QHCPKHFHSA-N 0 0 382.484 6.072 50 0 GKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc4ccccc43)c2c1 ZINC000002078819 206398495 /nfs/dbraw/zinc/39/84/95/206398495.db2.gz DKFLBQFTCICXAR-UHFFFAOYSA-N 0 0 388.470 6.616 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc(C)c1CC ZINC000002087510 206398831 /nfs/dbraw/zinc/39/88/31/206398831.db2.gz RJMODKFEYFELPW-ZHACJKMWSA-N 0 0 377.893 5.101 50 0 GKAARN CCCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1ccco1 ZINC000002102693 206399221 /nfs/dbraw/zinc/39/92/21/206399221.db2.gz QXVXCPPERLLRNB-UHFFFAOYSA-N 0 0 397.496 5.951 50 0 GKAARN Cc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000002128543 206399388 /nfs/dbraw/zinc/39/93/88/206399388.db2.gz ZTWFLCWCLVLXTC-UHFFFAOYSA-N 0 0 385.536 5.968 50 0 GKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4ccccc4)c12)CCC3 ZINC000002119169 206399486 /nfs/dbraw/zinc/39/94/86/206399486.db2.gz KVYRLCKJZJMDKE-UHFFFAOYSA-N 0 0 388.467 5.404 50 0 GKAARN Cc1ccc(CSc2nnc3c(n2)OC2(CCCC2)Nc2ccccc2-3)cc1 ZINC000002103864 206399653 /nfs/dbraw/zinc/39/96/53/206399653.db2.gz OCOXRZLKTFXMNU-UHFFFAOYSA-N 0 0 390.512 5.214 50 0 biogenic GKAARN COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5ccc(C)cc5)c4cc23)cc1 ZINC000002119150 206399677 /nfs/dbraw/zinc/39/96/77/206399677.db2.gz XELDLOOYEUDZKB-UHFFFAOYSA-N 0 0 396.442 6.499 50 0 biogenic GKAARN Cc1cccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)c3ccccc3n2)c1 ZINC000002107682 206399774 /nfs/dbraw/zinc/39/97/74/206399774.db2.gz LJQFYHXUYIRRIP-FQEVSTJZSA-N 0 0 394.518 6.318 50 0 GKAARN CC(C)(C)c1cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc(C(C)(C)C)c1 ZINC000002183356 206399917 /nfs/dbraw/zinc/39/99/17/206399917.db2.gz BIJMPEDUQKIZAN-DEOSSOPVSA-N 0 0 391.599 6.943 50 0 GKAARN CC(C)(C)[C@H]1CCc2nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000002239106 206402918 /nfs/dbraw/zinc/40/29/18/206402918.db2.gz RMRZERZVSUJSFA-AWEZNQCLSA-N 0 0 398.959 5.914 50 0 GKAARN C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000002282668 206407222 /nfs/dbraw/zinc/40/72/22/206407222.db2.gz WKCOCBOPMVHBOR-IIBYNOLFSA-N 0 0 376.887 5.932 50 0 GKAARN COc1ccc([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000002290009 206407757 /nfs/dbraw/zinc/40/77/57/206407757.db2.gz GMHJKLKSBBMHBE-HXUWFJFHSA-N 0 0 377.421 5.849 50 0 GKAARN CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000002319076 206407859 /nfs/dbraw/zinc/40/78/59/206407859.db2.gz WGKFTSLRMKZMRZ-JNRABUSHSA-N 0 0 395.546 6.565 50 0 GKAARN CC(C)Oc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000002308568 206408326 /nfs/dbraw/zinc/40/83/26/206408326.db2.gz YYZFORTYVNQKAZ-UHFFFAOYSA-N 0 0 375.497 5.573 50 0 GKAARN Cc1ccc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000002351486 206411287 /nfs/dbraw/zinc/41/12/87/206411287.db2.gz OUJUUCWRJQBJOM-UHFFFAOYSA-N 0 0 375.472 5.674 50 0 GKAARN Cc1nn2c(ncc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1-c1ccccc1 ZINC000002354317 206411708 /nfs/dbraw/zinc/41/17/08/206411708.db2.gz RAXCDGDUNCFDRD-QGZVFWFLSA-N 0 0 387.870 5.271 50 0 GKAARN Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C(C)C)cc2)CC3=O)cc1 ZINC000002407714 206414393 /nfs/dbraw/zinc/41/43/93/206414393.db2.gz XJOJINQRNMZPLL-FQEVSTJZSA-N 0 0 399.494 5.073 50 0 GKAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000002412496 206414876 /nfs/dbraw/zinc/41/48/76/206414876.db2.gz PWHXDAYVHLOEMP-UHFFFAOYSA-N 0 0 381.888 5.610 50 0 GKAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3cccc(C)c3C)cc12 ZINC000002431163 206416380 /nfs/dbraw/zinc/41/63/80/206416380.db2.gz VFRPVWILUTUYTB-UHFFFAOYSA-N 0 0 375.497 5.573 50 0 GKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 ZINC000002449403 206417323 /nfs/dbraw/zinc/41/73/23/206417323.db2.gz USGDXEJDGVWTHO-WYMLVPIESA-N 0 0 389.476 5.547 50 0 GKAARN CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002443923 206417520 /nfs/dbraw/zinc/41/75/20/206417520.db2.gz BIBZRPALMWFRAY-FMIVXFBMSA-N 0 0 377.557 6.068 50 0 GKAARN CCCc1nc2sc3c(nc(SC)nc3NCC(C)C)c2c2c1CCC2 ZINC000002449049 206417755 /nfs/dbraw/zinc/41/77/55/206417755.db2.gz NFUWBJBYERLJNU-UHFFFAOYSA-N 0 0 386.590 5.471 50 0 GKAARN Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)sc1C ZINC000002731155 206430424 /nfs/dbraw/zinc/43/04/24/206430424.db2.gz DRUHCFYSZCXXTQ-UHFFFAOYSA-N 0 0 377.531 5.123 50 0 GKAARN O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1)c1ccccc1 ZINC000002734534 206430696 /nfs/dbraw/zinc/43/06/96/206430696.db2.gz XPGHTJPQBNZJOD-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc32)cc1 ZINC000002756466 206433239 /nfs/dbraw/zinc/43/32/39/206433239.db2.gz IYZDDGBNRMCCSQ-UHFFFAOYSA-N 0 0 396.490 6.170 50 0 GKAARN O=C(Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1)c1ccccc1 ZINC000002936117 206446980 /nfs/dbraw/zinc/44/69/80/206446980.db2.gz VLVHTYBUGASGIU-UHFFFAOYSA-N 0 0 394.496 5.980 50 0 GKAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl ZINC000002812169 206438116 /nfs/dbraw/zinc/43/81/16/206438116.db2.gz SLOKKQXLOCWQBZ-IBGZPJMESA-N 0 0 392.232 5.791 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000002814010 206438651 /nfs/dbraw/zinc/43/86/51/206438651.db2.gz LKNZHFHYGSEXNN-UHFFFAOYSA-N 0 0 399.425 5.133 50 0 GKAARN CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccccc1F ZINC000002824748 206438739 /nfs/dbraw/zinc/43/87/39/206438739.db2.gz ICRLQGZHUNLQER-NRFANRHFSA-N 0 0 393.439 6.763 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1Cl ZINC000002828002 206438830 /nfs/dbraw/zinc/43/88/30/206438830.db2.gz YPIQOEGZLRJXLX-NSHDSACASA-N 0 0 381.328 5.634 50 0 GKAARN O=C(Nc1ccccc1C(=O)OCc1c(Cl)cccc1Cl)c1ccco1 ZINC000002845007 206439310 /nfs/dbraw/zinc/43/93/10/206439310.db2.gz ZMBRTMGCAVSDEY-UHFFFAOYSA-N 0 0 390.222 5.196 50 0 GKAARN O=C(Nc1ccccc1Br)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002856434 206440833 /nfs/dbraw/zinc/44/08/33/206440833.db2.gz VUSGDDZEWQARGL-LJQANCHMSA-N 0 0 398.325 5.921 50 0 GKAARN CCCCCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 ZINC000002857933 206441316 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COc1cccc(Oc2cc(C(C)C)nc(SCc3cccc(C)c3)n2)c1 ZINC000036349615 210720484 /nfs/dbraw/zinc/72/04/84/210720484.db2.gz UUOYVFNCQABAOZ-UHFFFAOYSA-N 0 0 380.513 6.002 50 0 GKAARN COc1ccc(CSc2cc(C)nc(SCc3ccc(OC)cc3)n2)cc1 ZINC000016283944 207074645 /nfs/dbraw/zinc/07/46/45/207074645.db2.gz BMNQMMLPXDMING-UHFFFAOYSA-N 0 0 398.553 5.387 50 0 GKAARN Cc1ccc(C(=O)/N=c2/scc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000016661707 207075258 /nfs/dbraw/zinc/07/52/58/207075258.db2.gz CVOKXSUHFYOSBQ-OCOZRVBESA-N 0 0 384.504 5.564 50 0 GKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000016752449 207077397 /nfs/dbraw/zinc/07/73/97/207077397.db2.gz NEHQYSMMBCHBTC-KRWDZBQOSA-N 0 0 388.250 5.055 50 0 GKAARN Fc1cc(CN2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000016695700 207077642 /nfs/dbraw/zinc/07/76/42/207077642.db2.gz DDWCKFWWUMGCPG-YLJYHZDGSA-N 0 0 395.396 5.208 50 0 GKAARN Cc1c(=O)c2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2oc1-c1ccccc1 ZINC000016022570 207070531 /nfs/dbraw/zinc/07/05/31/207070531.db2.gz WVPRSWJPTDUHSC-MRXNPFEDSA-N 0 0 395.458 5.360 50 0 GKAARN FC(F)Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017118369 207085161 /nfs/dbraw/zinc/08/51/61/207085161.db2.gz DBDCBCCZCQNWMM-KNQAVFIVSA-N 0 0 392.405 5.530 50 0 GKAARN Cc1nn(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c(C)c1Cl ZINC000017081619 207085321 /nfs/dbraw/zinc/08/53/21/207085321.db2.gz IWDHSUKCGAOWKO-UHFFFAOYSA-N 0 0 398.844 5.468 50 0 GKAARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(C)cc3)oc21 ZINC000017130782 207085485 /nfs/dbraw/zinc/08/54/85/207085485.db2.gz NLXAJRCSGBEVJZ-IZHYLOQSSA-N 0 0 381.435 5.526 50 0 GKAARN Cc1cccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2CCO)c1 ZINC000017201359 207085809 /nfs/dbraw/zinc/08/58/09/207085809.db2.gz AWBUNHPDVLDUBR-IZHYLOQSSA-N 0 0 386.520 5.417 50 0 GKAARN CC(C)(C)c1cc(-c2csc(Nc3ccccc3)n2)cc(C(C)(C)C)c1O ZINC000017186128 207086113 /nfs/dbraw/zinc/08/61/13/207086113.db2.gz OOKRRMBIHVGBDR-UHFFFAOYSA-N 0 0 380.557 6.854 50 0 GKAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc2ccccc2n1 ZINC000017201135 207086651 /nfs/dbraw/zinc/08/66/51/207086651.db2.gz OIUBWCWEHMNPLM-UHFFFAOYSA-N 0 0 382.448 5.159 50 0 GKAARN Cc1cccc(N([C@@H](C)c2ccccc2F)S(=O)(=O)c2ccccc2F)c1 ZINC000036032500 210705784 /nfs/dbraw/zinc/70/57/84/210705784.db2.gz BUEYPHOQZISCCY-INIZCTEOSA-N 0 0 387.451 5.230 50 0 GKAARN Fc1ccccc1CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000016842865 207079610 /nfs/dbraw/zinc/07/96/10/207079610.db2.gz KGZVGYCLOJOXLB-UHFFFAOYSA-N 0 0 385.467 5.981 50 0 GKAARN CCOc1ccc(-c2cc3c(SCc4ccc(C)cc4)nccn3n2)cc1 ZINC000016842883 207080070 /nfs/dbraw/zinc/08/00/70/207080070.db2.gz GBKOBIQOCIAWKT-UHFFFAOYSA-N 0 0 375.497 5.396 50 0 GKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccccc2C)c1 ZINC000016902422 207080332 /nfs/dbraw/zinc/08/03/32/207080332.db2.gz HYDZCWSVPFRCDO-FQEVSTJZSA-N 0 0 397.522 5.501 50 0 GKAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016994163 207080956 /nfs/dbraw/zinc/08/09/56/207080956.db2.gz 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CCOc1ccccc1OC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC000035509881 207492573 /nfs/dbraw/zinc/49/25/73/207492573.db2.gz XQBUKRNODWHFPR-UHFFFAOYSA-N 0 0 396.443 5.152 50 0 GKAARN CCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000035509929 207492757 /nfs/dbraw/zinc/49/27/57/207492757.db2.gz XMRFXLBHEFKNEA-UHFFFAOYSA-N 0 0 395.459 5.186 50 0 GKAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)c1 ZINC000036620596 207534101 /nfs/dbraw/zinc/53/41/01/207534101.db2.gz VHEAHEIAWCBHNJ-QGZVFWFLSA-N 0 0 377.257 5.266 50 0 GKAARN O=C(c1cccc(F)c1)N(Cc1cc(-c2ccc(F)cc2)on1)Cc1ccco1 ZINC000036004579 207506615 /nfs/dbraw/zinc/50/66/15/207506615.db2.gz PGSAMESKWOEOAY-UHFFFAOYSA-N 0 0 394.377 5.055 50 0 GKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccccc1 ZINC000036114837 207513207 /nfs/dbraw/zinc/51/32/07/207513207.db2.gz XZBWEGVFFNRFOR-SFHVURJKSA-N 0 0 394.540 5.471 50 0 GKAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccs1 ZINC000036156401 207515350 /nfs/dbraw/zinc/51/53/50/207515350.db2.gz 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Cc1cccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC23CCCCC3)c1 ZINC000045933157 207662295 /nfs/dbraw/zinc/66/22/95/207662295.db2.gz CXHWRURADUOKBL-UHFFFAOYSA-N 0 0 376.525 5.236 50 0 GKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076803 207671927 /nfs/dbraw/zinc/67/19/27/207671927.db2.gz QYHHYEWREZHHHV-SFHVURJKSA-N 0 0 381.472 5.817 50 0 GKAARN CC(=O)N(c1nc(CSc2ccc(O)cc2)cs1)c1cccc(C)c1C ZINC000047894914 207682557 /nfs/dbraw/zinc/68/25/57/207682557.db2.gz FLUWHPPITACZSY-UHFFFAOYSA-N 0 0 384.526 5.442 50 0 GKAARN CC(C)(C)C[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000048344234 207697929 /nfs/dbraw/zinc/69/79/29/207697929.db2.gz USEBHVCIDXEHAI-IBGZPJMESA-N 0 0 395.478 5.102 50 0 GKAARN COc1ccccc1NC(=O)c1scc(-c2cccc(F)c2)c1-n1cccc1 ZINC000048991718 207703652 /nfs/dbraw/zinc/70/36/52/207703652.db2.gz DCWSYQHSKZFMIC-UHFFFAOYSA-N 0 0 392.455 5.606 50 0 GKAARN O=C(/C=C\c1ccc(Cl)cc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000050575541 207713383 /nfs/dbraw/zinc/71/33/83/207713383.db2.gz 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208111687 /nfs/dbraw/zinc/11/16/87/208111687.db2.gz HDQFNXJKYNXXOT-GJZGRUSLSA-N 0 0 391.606 5.484 50 0 GKAARN CCOC(=O)CC1CCC(c2ccc(C(=O)C(C)(C)Br)cc2)CC1 ZINC000091297499 208113531 /nfs/dbraw/zinc/11/35/31/208113531.db2.gz KHJFBONPIDNZAS-UHFFFAOYSA-N 0 0 395.337 5.270 50 0 GKAARN Cc1cc(C)cc(-n2c(S[C@H](C)c3cccnc3)nc3ccccc3c2=O)c1 ZINC000040146114 210536421 /nfs/dbraw/zinc/53/64/21/210536421.db2.gz LTXBWBXHPNGZME-QGZVFWFLSA-N 0 0 387.508 5.251 50 0 GKAARN O=C(Sc1ccccc1)c1nc(SCc2ccccc2F)ncc1Cl ZINC000028290897 210525856 /nfs/dbraw/zinc/52/58/56/210525856.db2.gz ZJMRCTGMCBLYMD-UHFFFAOYSA-N 0 0 390.892 5.494 50 0 GKAARN Cc1csc(C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)n1 ZINC000095462120 208189403 /nfs/dbraw/zinc/18/94/03/208189403.db2.gz DOCIAFKFKPSBDV-UHFFFAOYSA-N 0 0 377.513 5.589 50 0 GKAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1Cl)N1CCCCC1 ZINC000095471185 208191820 /nfs/dbraw/zinc/19/18/20/208191820.db2.gz ZBGMORJUJXTJOV-UHFFFAOYSA-N 0 0 397.881 5.266 50 0 GKAARN CSc1ccc([C@@H]2SCC(=O)Nc3c2cnn3Cc2cccs2)cc1 ZINC000095473644 208192139 /nfs/dbraw/zinc/19/21/39/208192139.db2.gz HHGQIDFSYIVAFV-KRWDZBQOSA-N 0 0 387.555 5.139 50 0 GKAARN Fc1cccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3cccs3)C2)c1 ZINC000095946207 208241803 /nfs/dbraw/zinc/24/18/03/208241803.db2.gz RLVVYAQFPKYJMG-GOSISDBHSA-N 0 0 381.501 5.435 50 0 GKAARN CCCc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C2CCCCC2)no1 ZINC000095523102 208224509 /nfs/dbraw/zinc/22/45/09/208224509.db2.gz DATRJRRMFFFMPM-QHCPKHFHSA-N 0 0 391.515 5.428 50 0 GKAARN O=C(Nc1ccccc1SCc1ccsc1)c1cc2ccccc2oc1=O ZINC000027819893 210518619 /nfs/dbraw/zinc/51/86/19/210518619.db2.gz REGNCCJIQDYFIO-UHFFFAOYSA-N 0 0 393.489 5.399 50 0 GKAARN CCn1nc(C)c(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c1Cl ZINC000095961529 208246870 /nfs/dbraw/zinc/24/68/70/208246870.db2.gz LSONFAVGTSBVRZ-UHFFFAOYSA-N 0 0 390.874 5.332 50 0 GKAARN O=C(Nc1nc(-c2cccnc2)cs1)c1cc(-c2ccccn2)ccc1Cl ZINC000095974523 208249402 /nfs/dbraw/zinc/24/94/02/208249402.db2.gz 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208313935 /nfs/dbraw/zinc/31/39/35/208313935.db2.gz GNAJLOTTYCDWOR-UHFFFAOYSA-N 0 0 398.388 5.322 50 0 GKAARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc21 ZINC000096234504 208291794 /nfs/dbraw/zinc/29/17/94/208291794.db2.gz TWEINMIKVHEXBP-VBKFSLOCSA-N 0 0 384.262 6.161 50 0 GKAARN CCOc1ccc([C@H](CC(=O)NCC(C)C)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275693 208299372 /nfs/dbraw/zinc/29/93/72/208299372.db2.gz AEKKPBNNNDLQLY-QFIPXVFZSA-N 0 0 392.543 5.423 50 0 GKAARN COc1ccc2[nH]cc([C@@H](CCc3ccccc3)CC(=O)NCC(C)C)c2c1 ZINC000096276448 208300659 /nfs/dbraw/zinc/30/06/59/208300659.db2.gz NCVPZEZIBLWDFX-IBGZPJMESA-N 0 0 378.516 5.055 50 0 GKAARN CCOc1ccc([C@H](CC(=O)N2CCCC2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275836 208300795 /nfs/dbraw/zinc/30/07/95/208300795.db2.gz JMRXQZPEDMJMCR-QFIPXVFZSA-N 0 0 390.527 5.273 50 0 GKAARN Cc1cccc(COc2ccc(-c3noc(-c4cc(F)cc(F)c4)n3)cc2)c1 ZINC000096280677 208301746 /nfs/dbraw/zinc/30/17/46/208301746.db2.gz IXZORFGQIBVCQJ-UHFFFAOYSA-N 0 0 378.378 5.569 50 0 GKAARN Cc1ccccc1-c1nc(-c2ccc(OCc3cc(F)cc(F)c3)cc2)no1 ZINC000096280711 208301770 /nfs/dbraw/zinc/30/17/70/208301770.db2.gz LCQMUCOUIRXYHC-UHFFFAOYSA-N 0 0 378.378 5.569 50 0 GKAARN CCOc1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000096278208 208302120 /nfs/dbraw/zinc/30/21/20/208302120.db2.gz WJDPSFXKQHRBRF-QHCPKHFHSA-N 0 0 398.506 5.405 50 0 GKAARN COc1ccccc1-c1nc(-c2ccc(OCc3c(F)cccc3F)cc2)no1 ZINC000096280690 208302251 /nfs/dbraw/zinc/30/22/51/208302251.db2.gz NUCYFOBBILTDHI-UHFFFAOYSA-N 0 0 394.377 5.269 50 0 GKAARN COc1cc(-c2noc(-c3cccc(C)c3)n2)ccc1OCc1cccc(F)c1 ZINC000096280740 208302644 /nfs/dbraw/zinc/30/26/44/208302644.db2.gz AZNWVOOKDLNCIM-UHFFFAOYSA-N 0 0 390.414 5.439 50 0 GKAARN CCCn1c(C(=O)N[C@H](C)c2ccccc2)cc2scc(Br)c21 ZINC000096280436 208302840 /nfs/dbraw/zinc/30/28/40/208302840.db2.gz IMLCLSXDJDZBDR-GFCCVEGCSA-N 0 0 391.334 5.366 50 0 GKAARN Fc1ccc(-c2nc(-c3ccc(OCc4c(F)cccc4F)cc3)no2)cc1 ZINC000096280688 208302871 /nfs/dbraw/zinc/30/28/71/208302871.db2.gz HLWOCMRMZKZXMQ-UHFFFAOYSA-N 0 0 382.341 5.400 50 0 GKAARN Fc1ccc(F)c(COc2ccc(-c3noc(-c4ccccc4F)n3)cc2)c1 ZINC000096280715 208303334 /nfs/dbraw/zinc/30/33/34/208303334.db2.gz RQXLITCHTNHWPS-UHFFFAOYSA-N 0 0 382.341 5.400 50 0 GKAARN CC[C@@H](C)[C@@H](NC(=O)C1CCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291968 208304674 /nfs/dbraw/zinc/30/46/74/208304674.db2.gz VDMPMXLEYXAXIM-MLGOLLRUSA-N 0 0 395.425 5.149 50 0 GKAARN Cc1ccc(C(=O)N[C@H](c2nc(-c3ccc(C)c(Cl)c3)no2)C(C)C)cc1 ZINC000096293552 208304840 /nfs/dbraw/zinc/30/48/40/208304840.db2.gz KMPWQEWVDDALNB-SFHVURJKSA-N 0 0 383.879 5.134 50 0 GKAARN Cc1ccc(-c2noc([C@@H](NC(=O)CCc3ccccc3)C(C)C)n2)cc1Cl ZINC000096293570 208305272 /nfs/dbraw/zinc/30/52/72/208305272.db2.gz WMTOGQSLGJRCOV-FQEVSTJZSA-N 0 0 397.906 5.145 50 0 GKAARN COc1ccccc1-c1cc(CSc2nc(C)c(Cc3ccccc3)[nH]2)on1 ZINC000026237028 210494458 /nfs/dbraw/zinc/49/44/58/210494458.db2.gz HGFHCHBTSJHFOS-UHFFFAOYSA-N 0 0 391.496 5.265 50 0 GKAARN Cc1nc(COc2cccc(/C=C\C(=O)N(C)[C@@H](C)c3ccccc3)c2)cs1 ZINC000096936773 208331131 /nfs/dbraw/zinc/33/11/31/208331131.db2.gz SYKADJYCGUURMB-QOHRORDFSA-N 0 0 392.524 5.263 50 0 GKAARN Cc1ccc(-c2nc(CSc3n[nH]c(C=Cc4ccc(F)cc4)n3)co2)cc1 ZINC000096993610 208332666 /nfs/dbraw/zinc/33/26/66/208332666.db2.gz XROCMPMFVDHHEX-WDZFZDKYSA-N 0 0 392.459 5.370 50 0 GKAARN C[C@H](NC(=O)/C=C\c1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000097011289 208333505 /nfs/dbraw/zinc/33/35/05/208333505.db2.gz LQRZXJVXWRQORL-LBWZGELYSA-N 0 0 392.886 5.205 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(SC(C)C)sc3c2)c(C)c1 ZINC000096399607 208316716 /nfs/dbraw/zinc/31/67/16/208316716.db2.gz WWTQLILFMJTKEL-UHFFFAOYSA-N 0 0 392.571 5.214 50 0 GKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096565090 208319626 /nfs/dbraw/zinc/31/96/26/208319626.db2.gz ODIRRBJEGMOXCE-YUQCYMQKSA-N 0 0 378.859 5.311 50 0 GKAARN COc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc(Cl)c1OC(C)C ZINC000096662920 208321757 /nfs/dbraw/zinc/32/17/57/208321757.db2.gz HTHIKEUXSAGARS-NSIKDUERSA-N 0 0 378.255 5.282 50 0 GKAARN COc1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)c(OC)c1OC ZINC000096767148 208322845 /nfs/dbraw/zinc/32/28/45/208322845.db2.gz RWUOIVIBSHWDAD-RAXLEYEMSA-N 0 0 377.465 5.646 50 0 GKAARN O=C(NCc1ccccc1)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000096835368 208323232 /nfs/dbraw/zinc/32/32/32/208323232.db2.gz NWCXZKUNPCTRTH-QNGOZBTKSA-N 0 0 379.406 5.145 50 0 GKAARN Oc1c(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000003075557 210495675 /nfs/dbraw/zinc/49/56/75/210495675.db2.gz MKOICNIXFMUWQE-UHFFFAOYSA-N 0 0 398.505 8.060 50 0 GKAARN CCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 ZINC000100003699 208370284 /nfs/dbraw/zinc/37/02/84/208370284.db2.gz GVZFNAQZYYUPER-OGLKEZPNSA-N 0 0 376.628 8.940 50 0 GKAARN CCc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccsc3)s2)cc1 ZINC000098054684 208366760 /nfs/dbraw/zinc/36/67/60/208366760.db2.gz FXXKDZIXQGMLBZ-NTEUORMPSA-N 0 0 375.906 5.151 50 0 GKAARN Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000098086420 208367907 /nfs/dbraw/zinc/36/79/07/208367907.db2.gz KCJQJYNFHYEKCA-UHFFFAOYSA-N 0 0 387.230 5.115 50 0 GKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1 ZINC000100787778 208380313 /nfs/dbraw/zinc/38/03/13/208380313.db2.gz ZCNBCCXCKBSEDU-IZHYLOQSSA-N 0 0 386.520 5.700 50 0 GKAARN CC(=O)c1cccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)c1 ZINC000024840671 210472106 /nfs/dbraw/zinc/47/21/06/210472106.db2.gz BMWVEXMOEGDDAI-UHFFFAOYSA-N 0 0 386.289 5.102 50 0 GKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1 ZINC000101156261 208387427 /nfs/dbraw/zinc/38/74/27/208387427.db2.gz DFMUDBUNLUSUEI-UPCLLVRISA-N 0 0 386.451 5.917 50 0 GKAARN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000041091122 208387918 /nfs/dbraw/zinc/38/79/18/208387918.db2.gz MDNFOKGPHZHXHA-UHFFFAOYSA-N 0 0 391.536 6.202 50 0 GKAARN CCCCn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000101147773 208388069 /nfs/dbraw/zinc/38/80/69/208388069.db2.gz ZTBQZLUFLPDRGK-NRFANRHFSA-N 0 0 381.479 5.602 50 0 GKAARN Cc1ccc(NC=C(c2ccc(Cl)nc2)S(=O)(=O)c2ccccc2)cc1C ZINC000100102385 208372023 /nfs/dbraw/zinc/37/20/23/208372023.db2.gz JNFAEWUOQPDFRG-ZHZULCJRSA-N 0 0 398.915 5.236 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000100429604 208376534 /nfs/dbraw/zinc/37/65/34/208376534.db2.gz HTEAYZVHAADFOF-WNSKOXEYSA-N 0 0 388.423 5.443 50 0 GKAARN COc1cccc2c1O[C@@H](c1ccc(C(C)C)cc1)N1N=C(c3ccccc3)C[C@H]21 ZINC000102186664 208404545 /nfs/dbraw/zinc/40/45/45/208404545.db2.gz UAZLKSXLFSLJBK-BVAGGSTKSA-N 0 0 398.506 6.061 50 0 GKAARN Cc1ccc(Cc2nc(CSc3nc4ccc(Cl)cc4o3)cs2)cc1 ZINC000023429319 210445024 /nfs/dbraw/zinc/44/50/24/210445024.db2.gz WHSKLYQPUTUXAS-UHFFFAOYSA-N 0 0 386.929 6.129 50 0 GKAARN COc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3nc4ccccc4n32)cc1 ZINC000101215943 208389460 /nfs/dbraw/zinc/38/94/60/208389460.db2.gz HDLXLVQZANMEDY-IFMALSPDSA-N 0 0 389.886 5.845 50 0 GKAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3nc4ccccc4n32)cc1 ZINC000101215953 208390506 /nfs/dbraw/zinc/39/05/06/208390506.db2.gz HDLXLVQZANMEDY-RBBKRZOGSA-N 0 0 389.886 5.845 50 0 GKAARN Clc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=Nc3ncnn32)cc1 ZINC000101407484 208392132 /nfs/dbraw/zinc/39/21/32/208392132.db2.gz LGQQIPSSPIUULX-INIZCTEOSA-N 0 0 377.662 5.294 50 0 GKAARN COc1cccc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c1 ZINC000023328088 210440722 /nfs/dbraw/zinc/44/07/22/210440722.db2.gz WBFLFAHHRYDFQP-UHFFFAOYSA-N 0 0 385.794 5.834 50 0 GKAARN O=C(c1cc(F)ccc1F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023331141 210440183 /nfs/dbraw/zinc/44/01/83/210440183.db2.gz GRZQSESVPYZWDB-OAQYLSRUSA-N 0 0 383.825 5.406 50 0 GKAARN O=C(NC1CCCC1)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023330365 210440119 /nfs/dbraw/zinc/44/01/19/210440119.db2.gz FEXKJXNBSFZBNW-UHFFFAOYSA-N 0 0 399.416 5.231 50 0 GKAARN Cc1ccc(Cc2nc(CSCc3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000023306034 210437738 /nfs/dbraw/zinc/43/77/38/210437738.db2.gz SCHBNVRYJOBARG-UHFFFAOYSA-N 0 0 394.392 6.783 50 0 GKAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]21 ZINC000101714436 208396744 /nfs/dbraw/zinc/39/67/44/208396744.db2.gz YXDAVHZJKJSZKJ-URZJWIJPSA-N 0 0 389.495 5.478 50 0 GKAARN CCN1c2ccc(Br)cc2[C@H](Cc2oc3ccccc3c2C)C1=O ZINC000101728752 208397599 /nfs/dbraw/zinc/39/75/99/208397599.db2.gz WZJCGAJKUDCPCN-INIZCTEOSA-N 0 0 384.273 5.197 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@@H]2c1cccs1 ZINC000102707820 208408163 /nfs/dbraw/zinc/40/81/63/208408163.db2.gz MSBDCDXZQYVOCH-OAQYLSRUSA-N 0 0 392.524 5.951 50 0 GKAARN CC(C)N(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1 ZINC000022655457 210419714 /nfs/dbraw/zinc/41/97/14/210419714.db2.gz SSFNCONJSOXPSK-UHFFFAOYSA-N 0 0 395.490 6.617 50 0 GKAARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)C1 ZINC000102674565 208409221 /nfs/dbraw/zinc/40/92/21/208409221.db2.gz YTBBYXXBTQSMEZ-VFNWGFHPSA-N 0 0 390.874 5.305 50 0 GKAARN Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2F)C3)cc1 ZINC000102882502 208412547 /nfs/dbraw/zinc/41/25/47/208412547.db2.gz SEWLDDFFBVYFEK-QYBDOPJKSA-N 0 0 398.481 6.763 50 0 GKAARN O=C(Nc1ccc(F)cc1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890975 210398357 /nfs/dbraw/zinc/39/83/57/210398357.db2.gz CXCGMBXKYFQXOE-XMMPIXPASA-N 0 0 397.453 5.754 50 0 GKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1 ZINC000021890862 210398241 /nfs/dbraw/zinc/39/82/41/210398241.db2.gz IJOIOKSASWHGTJ-RUZDIDTESA-N 0 0 393.490 5.923 50 0 GKAARN COc1ccc(CC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000022348839 210410483 /nfs/dbraw/zinc/41/04/83/210410483.db2.gz OOMQWSZZNHWWKE-UHFFFAOYSA-N 0 0 378.299 5.097 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccsc1)Cc1ccco1 ZINC000042382120 208431103 /nfs/dbraw/zinc/43/11/03/208431103.db2.gz HCJJALFPTKMPBW-UHFFFAOYSA-N 0 0 381.284 5.882 50 0 GKAARN CC(=O)N1N=C(c2cccs2)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941457 210402790 /nfs/dbraw/zinc/40/27/90/210402790.db2.gz ZJNYOYRQJYBEHS-QHCPKHFHSA-N 0 0 399.475 5.202 50 0 GKAARN COc1cccc(CNC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1 ZINC000021940246 210401834 /nfs/dbraw/zinc/40/18/34/210401834.db2.gz BRRFKXDNASEIHM-UHFFFAOYSA-N 0 0 392.842 5.087 50 0 GKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccs1 ZINC000021891145 210399583 /nfs/dbraw/zinc/39/95/83/210399583.db2.gz MDLLSALHGXEGMA-JOCHJYFZSA-N 0 0 385.492 5.676 50 0 GKAARN C[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1Br ZINC000021890482 210399530 /nfs/dbraw/zinc/39/95/30/210399530.db2.gz ICCXYXZENHXWAU-AWEZNQCLSA-N 0 0 396.288 5.349 50 0 GKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888804 210399177 /nfs/dbraw/zinc/39/91/77/210399177.db2.gz VMMDVESSPKKZHQ-DEOSSOPVSA-N 0 0 397.453 5.754 50 0 GKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891251 210399230 /nfs/dbraw/zinc/39/92/30/210399230.db2.gz IUUNYLNEUIZNJH-QHCPKHFHSA-N 0 0 399.519 5.984 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1C ZINC000021890402 210398941 /nfs/dbraw/zinc/39/89/41/210398941.db2.gz SEZUNFCVZLIJMX-AWEZNQCLSA-N 0 0 381.863 5.248 50 0 GKAARN Cc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccnc2)c1 ZINC000021779721 210392645 /nfs/dbraw/zinc/39/26/45/210392645.db2.gz LJJFCMDJRQSTAW-HSZRJFAPSA-N 0 0 382.467 5.051 50 0 GKAARN Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)Nc1ccccc1 ZINC000021798584 210392418 /nfs/dbraw/zinc/39/24/18/210392418.db2.gz POHSQBCORQROKE-UHFFFAOYSA-N 0 0 397.482 5.009 50 0 GKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccncc2)cc1 ZINC000021715594 210391524 /nfs/dbraw/zinc/39/15/24/210391524.db2.gz WJAGHBXZCSQJNL-HSZRJFAPSA-N 0 0 399.519 5.073 50 0 GKAARN CCOc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)c1 ZINC000021715753 210390901 /nfs/dbraw/zinc/39/09/01/210390901.db2.gz DMTNFGCQHOUBQF-VWLOTQADSA-N 0 0 396.490 5.355 50 0 GKAARN COc1ccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705440 210389127 /nfs/dbraw/zinc/38/91/27/210389127.db2.gz KMRKBJPQFRYPBS-UHFFFAOYSA-N 0 0 386.411 5.056 50 0 GKAARN CCc1cccc(NC(=O)CSc2cc(Oc3cc(C)cc(C)c3)ncn2)c1 ZINC000021657615 210387854 /nfs/dbraw/zinc/38/78/54/210387854.db2.gz LRVGIMOZOSDXTR-UHFFFAOYSA-N 0 0 393.512 5.179 50 0 GKAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)cc1F ZINC000021656623 210387465 /nfs/dbraw/zinc/38/74/65/210387465.db2.gz HBDJZLUUUWFAAE-UHFFFAOYSA-N 0 0 391.471 5.365 50 0 GKAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000021656721 210386938 /nfs/dbraw/zinc/38/69/38/210386938.db2.gz MIHYQIZZRFJKJV-UHFFFAOYSA-N 0 0 391.471 5.365 50 0 GKAARN Cc1cccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 ZINC000021659299 210386989 /nfs/dbraw/zinc/38/69/89/210386989.db2.gz GDIPQKGWOSHPDH-UHFFFAOYSA-N 0 0 394.478 5.170 50 0 GKAARN Fc1ccc(-c2csc(-c3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000021538448 210385270 /nfs/dbraw/zinc/38/52/70/210385270.db2.gz URFHFLNQWHIDOZ-UHFFFAOYSA-N 0 0 382.441 5.468 50 0 GKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cc1 ZINC000021879724 210397228 /nfs/dbraw/zinc/39/72/28/210397228.db2.gz DQJKMNYWZADMTG-DEOSSOPVSA-N 0 0 399.469 5.795 50 0 GKAARN Cc1noc(-c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)n1 ZINC000044227164 208443133 /nfs/dbraw/zinc/44/31/33/208443133.db2.gz QSVZYAVUZGAIEA-UHFFFAOYSA-N 0 0 381.863 5.149 50 0 GKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)cc1 ZINC000021879726 210396938 /nfs/dbraw/zinc/39/69/38/210396938.db2.gz DQJKMNYWZADMTG-XMMPIXPASA-N 0 0 399.469 5.795 50 0 GKAARN Cc1c(C)n(-c2ccccn2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000021801544 210395182 /nfs/dbraw/zinc/39/51/82/210395182.db2.gz KFKCSBKKERJZLZ-UHFFFAOYSA-N 0 0 396.498 5.045 50 0 GKAARN CC(C)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl ZINC000021798066 210393888 /nfs/dbraw/zinc/39/38/88/210393888.db2.gz MOFHEXQNIOTVTH-UHFFFAOYSA-N 0 0 376.891 5.809 50 0 GKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000021163867 210378826 /nfs/dbraw/zinc/37/88/26/210378826.db2.gz JPUFJBSJXUZQDB-XMMPIXPASA-N 0 0 381.479 5.656 50 0 GKAARN Cc1cc(NCCC(C)C)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150481 210378592 /nfs/dbraw/zinc/37/85/92/210378592.db2.gz RQOOVFRRHUCRIM-UHFFFAOYSA-N 0 0 396.844 5.835 50 0 GKAARN Cc1cc(NC2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150395 210377991 /nfs/dbraw/zinc/37/79/91/210377991.db2.gz VVCILYMXCGKKLN-UHFFFAOYSA-N 0 0 394.828 5.731 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)c(OC)c1 ZINC000021157900 210378141 /nfs/dbraw/zinc/37/81/41/210378141.db2.gz SVGZEBLQUPGOQA-INIZCTEOSA-N 0 0 399.899 5.560 50 0 GKAARN Cc1ccc(-c2onc3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc32)cc1 ZINC000021089512 210377246 /nfs/dbraw/zinc/37/72/46/210377246.db2.gz UAQJYZMSBBLWPP-UHFFFAOYSA-N 0 0 396.368 6.074 50 0 GKAARN CCc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 ZINC000021096015 210376716 /nfs/dbraw/zinc/37/67/16/210376716.db2.gz FDZLEJPVCWHZFL-UHFFFAOYSA-N 0 0 379.460 5.325 50 0 GKAARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 ZINC000118921983 208466642 /nfs/dbraw/zinc/46/66/42/208466642.db2.gz VWKJCCARGYKAHQ-LDMOSEJOSA-N 0 0 382.592 5.690 50 0 GKAARN Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1C ZINC000021524597 210383874 /nfs/dbraw/zinc/38/38/74/210383874.db2.gz VZIXYPJKBNHQTD-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc2cc(CSc3nnc4sc5ccccc5n34)c(Cl)nc2c1 ZINC000021467410 210382033 /nfs/dbraw/zinc/38/20/33/210382033.db2.gz ZYJKMRRTKSKYPO-UHFFFAOYSA-N 0 0 396.928 5.746 50 0 GKAARN COc1cccc2c3c(cnc12)c(-c1ccc(C)cc1)nn3-c1ccccc1Cl ZINC000021017336 210374312 /nfs/dbraw/zinc/37/43/12/210374312.db2.gz CLUSPDZNWGRLII-UHFFFAOYSA-N 0 0 399.881 6.211 50 0 GKAARN O=C(Nc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccco1 ZINC000000792996 208481393 /nfs/dbraw/zinc/48/13/93/208481393.db2.gz TUJWCPGKVWJCAR-UHFFFAOYSA-N 0 0 383.403 5.418 50 0 GKAARN O=C(NCc1cccn1Cc1ccccc1F)Nc1ccccc1C(F)(F)F ZINC000020995851 210372852 /nfs/dbraw/zinc/37/28/52/210372852.db2.gz ZEHUQLPJWHQINQ-UHFFFAOYSA-N 0 0 391.368 5.016 50 0 GKAARN O[C@@H](Cc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1F ZINC000000858232 208482367 /nfs/dbraw/zinc/48/23/67/208482367.db2.gz AWHXTXOOOXCQAT-NRFANRHFSA-N 0 0 380.850 5.153 50 0 GKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 ZINC000000862989 208483233 /nfs/dbraw/zinc/48/32/33/208483233.db2.gz LJAOCSXMQWSBSD-UHFFFAOYSA-N 0 0 394.283 5.083 50 0 GKAARN Fc1ccc([C@@H](NCCC2=CCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988527 210372165 /nfs/dbraw/zinc/37/21/65/210372165.db2.gz NFJDVGUSCASTNC-OAQYLSRUSA-N 0 0 377.463 5.445 50 0 GKAARN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccn1 ZINC000020918674 210369355 /nfs/dbraw/zinc/36/93/55/210369355.db2.gz XZSIHFATLFRFAS-VWLOTQADSA-N 0 0 383.495 5.109 50 0 GKAARN CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)c(C)c1 ZINC000020900349 210367149 /nfs/dbraw/zinc/36/71/49/210367149.db2.gz HAWFEYYGOBZINO-KRWDZBQOSA-N 0 0 390.325 5.256 50 0 GKAARN Fc1ccc2c(c1)Cc1c(=S)[nH]c(-c3ccc(Br)cc3)nc1O2 ZINC000020861755 210365752 /nfs/dbraw/zinc/36/57/52/210365752.db2.gz DZRRCZZSBQBZDA-UHFFFAOYSA-N 0 0 389.249 5.404 50 0 GKAARN COc1cccc2c3c(cnc12)c(-c1ccc(C)cc1)nn3-c1cccc(Cl)c1 ZINC000021017348 210375270 /nfs/dbraw/zinc/37/52/70/210375270.db2.gz DCPCTGJDFGTEQD-UHFFFAOYSA-N 0 0 399.881 6.211 50 0 GKAARN Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025371 210374591 /nfs/dbraw/zinc/37/45/91/210374591.db2.gz LCFVCGYCIPSXDU-UHFFFAOYSA-N 0 0 382.891 5.044 50 0 GKAARN COc1ccc(NC(=O)c2ccc3c(c2)noc3-c2ccccc2)cc1Cl ZINC000020853594 210363098 /nfs/dbraw/zinc/36/30/98/210363098.db2.gz VXRIPWXXSZXOLM-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN Fc1ccc([C@@H](Nc2cccc(Cl)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020852992 210362541 /nfs/dbraw/zinc/36/25/41/210362541.db2.gz VCGVFAOLIKMALI-LJQANCHMSA-N 0 0 379.822 5.731 50 0 GKAARN CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000001429341 208497748 /nfs/dbraw/zinc/49/77/48/208497748.db2.gz MFSQQYKTEQBPIH-UHFFFAOYSA-N 0 0 384.545 5.217 50 0 GKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000001984544 208498936 /nfs/dbraw/zinc/49/89/36/208498936.db2.gz LRHKXFUYUNAYDM-LJQANCHMSA-N 0 0 397.515 5.447 50 0 GKAARN CCn1ccnc1CN(C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000020774702 210361220 /nfs/dbraw/zinc/36/12/20/210361220.db2.gz BPKQDLKQWFZQRB-UHFFFAOYSA-N 0 0 386.499 5.165 50 0 GKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3)c2)cc1 ZINC000002146645 208500877 /nfs/dbraw/zinc/50/08/77/208500877.db2.gz OJYPCGMLFOEQTK-SLEBQGDGSA-N 0 0 399.490 6.275 50 0 biogenic GKAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000020734488 210359759 /nfs/dbraw/zinc/35/97/59/210359759.db2.gz DVVVHOBBPZMGCO-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN CCCN(CCC)C(=O)C[C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 ZINC000002357356 208501922 /nfs/dbraw/zinc/50/19/22/208501922.db2.gz BIYPHIXMMJJOGZ-DEOSSOPVSA-N 0 0 381.560 5.953 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000002637400 208503713 /nfs/dbraw/zinc/50/37/13/208503713.db2.gz CESRHJBUSIUEBA-UHFFFAOYSA-N 0 0 387.523 6.765 50 0 GKAARN O=C1c2cccc(OCc3ccc(Cl)cc3)c2CCN1Cc1ccc(F)cc1 ZINC000002716368 208503783 /nfs/dbraw/zinc/50/37/83/208503783.db2.gz DBOSYUMBUYEAFE-UHFFFAOYSA-N 0 0 395.861 5.257 50 0 GKAARN C[C@@H](Oc1cccc2c1CCN(Cc1ccccc1F)C2=O)c1ccccc1 ZINC000002716487 208503896 /nfs/dbraw/zinc/50/38/96/208503896.db2.gz IMWVMDCLSJGDBP-QGZVFWFLSA-N 0 0 375.443 5.164 50 0 GKAARN Clc1cccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 ZINC000002648830 208504792 /nfs/dbraw/zinc/50/47/92/208504792.db2.gz AJABPWWFTWLFLS-OAHLLOKOSA-N 0 0 391.949 5.131 50 0 GKAARN Brc1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000002873847 208507020 /nfs/dbraw/zinc/50/70/20/208507020.db2.gz XBQLDETZXUBWLO-UHFFFAOYSA-N 0 0 381.229 5.231 50 0 GKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000020607993 210352749 /nfs/dbraw/zinc/35/27/49/210352749.db2.gz XJPNIDMTFNEZIZ-UHFFFAOYSA-N 0 0 397.809 5.128 50 0 GKAARN Cc1ccc2cc3cc(C(=O)Nc4ccc(Br)cc4C)oc3nc2c1 ZINC000020605232 210352469 /nfs/dbraw/zinc/35/24/69/210352469.db2.gz AHMNBHKLLXMGDS-UHFFFAOYSA-N 0 0 395.256 5.613 50 0 GKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000020602879 210351061 /nfs/dbraw/zinc/35/10/61/210351061.db2.gz HYBOFJRWGCBCRE-UHFFFAOYSA-N 0 0 391.421 5.911 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020604245 210350751 /nfs/dbraw/zinc/35/07/51/210350751.db2.gz RTPILAMELYLWEJ-UHFFFAOYSA-N 0 0 381.401 6.035 50 0 GKAARN Fc1ccc(-n2nc(C3CC3)c3c2nc(-c2cccs2)cc3C(F)F)cc1 ZINC000020602974 210349491 /nfs/dbraw/zinc/34/94/91/210349491.db2.gz NILSYVOXPXFPDM-UHFFFAOYSA-N 0 0 385.414 6.103 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)cc1 ZINC000020557466 210346450 /nfs/dbraw/zinc/34/64/50/210346450.db2.gz SZGWOSRMRZOCEV-UHFFFAOYSA-N 0 0 399.537 5.030 50 0 GKAARN O=C(NCc1ccc(Cl)cc1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557416 210345835 /nfs/dbraw/zinc/34/58/35/210345835.db2.gz 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Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1Cl ZINC000020178373 210321525 /nfs/dbraw/zinc/32/15/25/210321525.db2.gz FDDUONHMLFBPAI-HXUWFJFHSA-N 0 0 393.849 6.039 50 0 GKAARN FC(F)(F)c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000020116519 210317581 /nfs/dbraw/zinc/31/75/81/210317581.db2.gz SBRBHIMZYIZAOF-UHFFFAOYSA-N 0 0 388.780 5.812 50 0 GKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(=O)OC)C1 ZINC000002742201 209380509 /nfs/dbraw/zinc/38/05/09/209380509.db2.gz YYABEDQQGPZCJD-ZDUSSCGKSA-N 0 0 389.517 5.230 50 0 GKAARN O=C1c2cc3ccccc3nc2N[C@@H](c2cccc(Cl)c2)N1c1ccccc1 ZINC000020101771 210315478 /nfs/dbraw/zinc/31/54/78/210315478.db2.gz HTBGYJRGMWXZPJ-JOCHJYFZSA-N 0 0 385.854 5.659 50 0 GKAARN COc1ccc(Br)cc1[C@H]1Nc2c(C)cc(C)cc2-c2cc(C)nn21 ZINC000020060249 210314392 /nfs/dbraw/zinc/31/43/92/210314392.db2.gz VGYCFGCNMOXPOY-FQEVSTJZSA-N 0 0 398.304 5.219 50 0 GKAARN FC(F)(F)c1cccc(Cn2nc(-c3ccccc3)c3oc4ccccc4c32)c1 ZINC000020030757 210312723 /nfs/dbraw/zinc/31/27/23/210312723.db2.gz QESPVNBIOLGJGZ-UHFFFAOYSA-N 0 0 392.380 6.517 50 0 GKAARN CC(=O)c1cccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C)n2)c1 ZINC000019837614 210303205 /nfs/dbraw/zinc/30/32/05/210303205.db2.gz PAURTWYSGJPDCE-AREMUKBSSA-N 0 0 395.506 5.222 50 0 GKAARN FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccccn2)cc1 ZINC000019835154 210301327 /nfs/dbraw/zinc/30/13/27/210301327.db2.gz ANSDVXNZZFSGFO-IBGZPJMESA-N 0 0 390.430 5.189 50 0 GKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000019798942 210297843 /nfs/dbraw/zinc/29/78/43/210297843.db2.gz LZBHSVAGOMLYBQ-RHSMWYFYSA-N 0 0 377.307 5.180 50 0 GKAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019927372 210308451 /nfs/dbraw/zinc/30/84/51/210308451.db2.gz GUUQPSWBBYOBGZ-HSZRJFAPSA-N 0 0 391.492 5.053 50 0 GKAARN Clc1cc(Cl)c(NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl ZINC000019737936 210291679 /nfs/dbraw/zinc/29/16/79/210291679.db2.gz VAEOOTWEPCPINH-AWEZNQCLSA-N 0 0 386.706 5.817 50 0 GKAARN C[C@@H](CNc1ccc(OC[C@H]2CCCO2)cc1)Oc1ccc(Cl)cc1Cl ZINC000019738224 210291766 /nfs/dbraw/zinc/29/17/66/210291766.db2.gz CTXPUPGFWDXUNS-KBXCAEBGSA-N 0 0 396.314 5.431 50 0 GKAARN CCCCOc1cccc(NCc2ccc(OCCOc3ccccc3)cc2)c1 ZINC000019738349 210290326 /nfs/dbraw/zinc/29/03/26/210290326.db2.gz GKVXCSGZBOAOBF-UHFFFAOYSA-N 0 0 391.511 5.935 50 0 GKAARN Clc1cc(Cl)c(NCc2ccc(OC[C@H]3CCCO3)cc2)cc1Cl ZINC000019737937 210290190 /nfs/dbraw/zinc/29/01/90/210290190.db2.gz VAEOOTWEPCPINH-CQSZACIVSA-N 0 0 386.706 5.817 50 0 GKAARN COc1ccccc1-c1nc(C(=O)NC2CCCCC2)cc2c3ccccc3[nH]c21 ZINC000005961107 208674665 /nfs/dbraw/zinc/67/46/65/208674665.db2.gz YGHZXRCDCZMMHL-UHFFFAOYSA-N 0 0 399.494 5.454 50 0 biogenic GKAARN C[C@@H](Nc1ccc2c(c1)CC(=O)N2)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000152836458 208676564 /nfs/dbraw/zinc/67/65/64/208676564.db2.gz LFVSHSFYCCFCFF-SNVBAGLBSA-N 0 0 388.254 5.316 50 0 GKAARN CCCCN(CCCC)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000006509084 208677922 /nfs/dbraw/zinc/67/79/22/208677922.db2.gz 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/nfs/dbraw/zinc/72/24/77/208722477.db2.gz ULPRDQOQZRETHK-MFUUIURDSA-N 0 0 398.458 5.427 50 0 GKAARN O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1cc2ccccc2o1 ZINC000012524815 208771724 /nfs/dbraw/zinc/77/17/24/208771724.db2.gz LIRSNWYWGQOLNB-UHFFFAOYSA-N 0 0 385.448 5.713 50 0 GKAARN COc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000012618517 208772994 /nfs/dbraw/zinc/77/29/94/208772994.db2.gz QPYVXWNQMWBENJ-UHFFFAOYSA-N 0 0 391.254 5.228 50 0 GKAARN Cc1ccoc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012810153 208776568 /nfs/dbraw/zinc/77/65/68/208776568.db2.gz BIMMBLRUJPZUTG-UHFFFAOYSA-N 0 0 388.345 5.111 50 0 GKAARN Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2cc3ccccc3o2)cs1 ZINC000012824824 208776850 /nfs/dbraw/zinc/77/68/50/208776850.db2.gz GYUXBTNHCLSUFJ-CQSZACIVSA-N 0 0 392.480 5.268 50 0 GKAARN COc1ccccc1NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000012909536 208777278 /nfs/dbraw/zinc/77/72/78/208777278.db2.gz YQFDEHNTZSJAAA-UHFFFAOYSA-N 0 0 388.442 5.554 50 0 GKAARN CC(C)Oc1ccc([C@H](CC(=O)N(C)[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000013656257 208784569 /nfs/dbraw/zinc/78/45/69/208784569.db2.gz ZTVFIDQCBDXENJ-TZIWHRDSSA-N 0 0 375.553 5.020 50 0 GKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000013758358 208786212 /nfs/dbraw/zinc/78/62/12/208786212.db2.gz LNSVDAAUTAFJQL-PZJWPPBQSA-N 0 0 395.506 5.475 50 0 GKAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000000683105 220452003 /nfs/dbraw/zinc/45/20/03/220452003.db2.gz BMPKCSCUAFBFFU-UHFFFAOYSA-N 0 0 393.870 5.205 50 0 GKAARN CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1 ZINC000000693119 220454160 /nfs/dbraw/zinc/45/41/60/220454160.db2.gz JKZNFLPDNPKIKU-UHFFFAOYSA-N 0 0 399.450 5.363 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 ZINC000000727788 220455000 /nfs/dbraw/zinc/45/50/00/220455000.db2.gz YTVQSQAOPBMRRG-UHFFFAOYSA-N 0 0 386.451 5.763 50 0 GKAARN O=C1C[C@H](c2cccs2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000000727903 220455070 /nfs/dbraw/zinc/45/50/70/220455070.db2.gz UXPSNFVRSPUFBT-GOSISDBHSA-N 0 0 388.517 6.156 50 0 GKAARN COc1ccc(O[C@H]2C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000000729148 220455873 /nfs/dbraw/zinc/45/58/73/220455873.db2.gz UCMFWJKCZXDNGO-BJKOFHAPSA-N 0 0 387.479 5.156 50 0 GKAARN COc1cc2c(oc(C)c2C(=O)c2ccc(Br)cc2)c2ccccc12 ZINC000000752611 220457955 /nfs/dbraw/zinc/45/79/55/220457955.db2.gz CXMINPBJPKRYHS-UHFFFAOYSA-N 0 0 395.252 5.897 50 0 GKAARN COCCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CC[C@H](C)C3 ZINC000022386452 208839079 /nfs/dbraw/zinc/83/90/79/208839079.db2.gz GDPRJFKNIJBMEN-AWEZNQCLSA-N 0 0 395.524 5.200 50 0 GKAARN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)cc1Cl ZINC000000940053 220470830 /nfs/dbraw/zinc/47/08/30/220470830.db2.gz CWJQQFDJJWAZSO-GQCTYLIASA-N 0 0 386.662 5.316 50 0 GKAARN C[C@H](Sc1nnc2n1CCCCC2)c1cccc(NC(=O)c2ccccc2)c1 ZINC000058014270 208853472 /nfs/dbraw/zinc/85/34/72/208853472.db2.gz TXUWZPZGEQSSQE-INIZCTEOSA-N 0 0 392.528 5.110 50 0 GKAARN O=C(Nc1cccc2ncccc21)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000001065328 220474929 /nfs/dbraw/zinc/47/49/29/220474929.db2.gz YKALAJAAPMSLGZ-UHFFFAOYSA-N 0 0 392.414 5.261 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1Br ZINC000001126749 220476679 /nfs/dbraw/zinc/47/66/79/220476679.db2.gz QYTYVGNPHGZVFM-ZDUSSCGKSA-N 0 0 376.294 5.614 50 0 GKAARN O=C(Nc1nc(C2CC2)cs1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000025561009 208885880 /nfs/dbraw/zinc/88/58/80/208885880.db2.gz JPOUTUGMEGKKAX-UHFFFAOYSA-N 0 0 386.480 5.126 50 0 GKAARN Cc1cc2nc(-c3ccc(=O)[nH]c3)n(Cc3ccc(C(F)(F)F)cc3)c2cc1C ZINC000001401788 220495039 /nfs/dbraw/zinc/49/50/39/220495039.db2.gz JWEBNUQWAFUFCZ-UHFFFAOYSA-N 0 0 397.400 5.076 50 0 GKAARN Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)cc1 ZINC000001405175 220495692 /nfs/dbraw/zinc/49/56/92/220495692.db2.gz WTJAOSUCZCHUHA-UHFFFAOYSA-N 0 0 392.257 5.230 50 0 GKAARN CC(C)(C)c1cc(-c2ccc(Cl)cc2)n(-c2nncc(-c3ccccc3)n2)n1 ZINC000002093207 220502188 /nfs/dbraw/zinc/50/21/88/220502188.db2.gz GAZHFGAZJDOPGA-UHFFFAOYSA-N 0 0 389.890 5.342 50 0 GKAARN C=Cc1ccc(COc2ccc3c(c2)oc(=O)cc3-c2ccc(OC)cc2)cc1 ZINC000002115165 220504142 /nfs/dbraw/zinc/50/41/42/220504142.db2.gz HCVPWMAZVRPLIG-UHFFFAOYSA-N 0 0 384.431 5.691 50 0 biogenic GKAARN CCc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)cc1 ZINC000002107684 220504669 /nfs/dbraw/zinc/50/46/69/220504669.db2.gz ZFGOPFLYKVVUAO-LJQANCHMSA-N 0 0 394.518 6.264 50 0 GKAARN Cc1ccc(-c2nc(C(=O)NCc3ccncc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002130964 220505229 /nfs/dbraw/zinc/50/52/29/220505229.db2.gz ZNUUQDIQXKWGMY-UHFFFAOYSA-N 0 0 392.462 5.017 50 0 biogenic GKAARN CC[C@@]1(C)Cc2c(sc3nc(SC/C=C/c4ccccc4)nc(N)c23)CO1 ZINC000002238377 220513846 /nfs/dbraw/zinc/51/38/46/220513846.db2.gz ZAFBLPRTYTYXGS-CLNPQZTCSA-N 0 0 397.569 5.320 50 0 GKAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)c(C)c2)cc1 ZINC000002245442 220513982 /nfs/dbraw/zinc/51/39/82/220513982.db2.gz FQESEQDYSYNLMQ-UHFFFAOYSA-N 0 0 380.451 5.261 50 0 GKAARN COc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000002267005 220515277 /nfs/dbraw/zinc/51/52/77/220515277.db2.gz NGJVHKZLNHBWSI-UHFFFAOYSA-N 0 0 396.277 6.356 50 0 GKAARN CCCC(=O)Nc1scc(-c2ccc(-c3ccccc3)cc2)c1C(=O)OCC ZINC000002280668 220516950 /nfs/dbraw/zinc/51/69/50/220516950.db2.gz HQBZBDAHCJGTKS-UHFFFAOYSA-N 0 0 393.508 5.997 50 0 GKAARN C=C1C(CC)=C(c2ccccc2)N=C(c2ccccc2)N1c1ccc(OC)cc1 ZINC000002270003 220517490 /nfs/dbraw/zinc/51/74/90/220517490.db2.gz XNUOSZLXTVEDBK-UHFFFAOYSA-N 0 0 380.491 6.297 50 0 GKAARN CCCc1nc2sc3c(ncnc3NC3CCCCC3)c2c2c1CCCC2 ZINC000002297635 220519239 /nfs/dbraw/zinc/51/92/39/220519239.db2.gz LNJKDOSJCQAZMK-UHFFFAOYSA-N 0 0 380.561 5.815 50 0 GKAARN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 ZINC000002303464 220519414 /nfs/dbraw/zinc/51/94/14/220519414.db2.gz WCQBNASKVWRXCT-BJMVGYQFSA-N 0 0 383.451 5.665 50 0 GKAARN CCSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000002372584 220527933 /nfs/dbraw/zinc/52/79/33/220527933.db2.gz KPVYJGZQFPTBCB-UHFFFAOYSA-N 0 0 393.331 5.423 50 0 GKAARN CCN(CC)c1ccc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1 ZINC000002396632 220529154 /nfs/dbraw/zinc/52/91/54/220529154.db2.gz FLQCJGFAXGKWKR-UHFFFAOYSA-N 0 0 383.908 5.019 50 0 GKAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 ZINC000002396464 220529548 /nfs/dbraw/zinc/52/95/48/220529548.db2.gz USUCPRTWRKOOSM-AJTFRIOCSA-N 0 0 389.476 5.143 50 0 GKAARN Cc1cccc(-n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCCC2)c1 ZINC000002293694 220520856 /nfs/dbraw/zinc/52/08/56/220520856.db2.gz KLUIWIHXELTWEC-UHFFFAOYSA-N 0 0 388.536 5.629 50 0 GKAARN COc1ccc([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(C)cc2)cc1 ZINC000002324797 220522751 /nfs/dbraw/zinc/52/27/51/220522751.db2.gz YVPXQSRLLKBLMO-SANMLTNESA-N 0 0 387.523 5.574 50 0 GKAARN O=C1c2ccccc2C2=C[C@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3)N12 ZINC000002345572 220524560 /nfs/dbraw/zinc/52/45/60/220524560.db2.gz YWZJAEXKQDITDZ-GOSISDBHSA-N 0 0 382.290 6.416 50 0 GKAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)Nc1ccccc1 ZINC000002336013 220524605 /nfs/dbraw/zinc/52/46/05/220524605.db2.gz AIVHJDWATJYWRS-UHFFFAOYSA-N 0 0 376.894 5.128 50 0 GKAARN CC1(C)Cc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C(=O)C1 ZINC000002475298 220536623 /nfs/dbraw/zinc/53/66/23/220536623.db2.gz GXUPFERUFJUKAY-UHFFFAOYSA-N 0 0 390.917 5.419 50 0 GKAARN Fc1cccc(-c2nc3n(n2)[C@H](C(Cl)(Cl)Cl)Nc2ccccc2-3)c1 ZINC000225402936 208949875 /nfs/dbraw/zinc/94/98/75/208949875.db2.gz WWNSDRAUEDJZBY-OAHLLOKOSA-N 0 0 383.641 5.046 50 0 GKAARN O=C(c1ccccc1)c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000002498369 220538722 /nfs/dbraw/zinc/53/87/22/220538722.db2.gz XDGLVILSHFCMNN-UHFFFAOYSA-N 0 0 389.539 6.025 50 0 GKAARN COc1cccc(-c2nc(C(=O)Nc3cccc(C)c3Cl)cs2)c1OC ZINC000225433304 208951956 /nfs/dbraw/zinc/95/19/56/208951956.db2.gz MDUDTACRGKWFNA-UHFFFAOYSA-N 0 0 388.876 5.041 50 0 GKAARN CCCCCCc1ccc(-c2ncc(-c3ccc(Br)cc3)cn2)cc1 ZINC000002494279 220539422 /nfs/dbraw/zinc/53/94/22/220539422.db2.gz KGBKQWZOVQOSRB-UHFFFAOYSA-N 0 0 395.344 6.696 50 0 GKAARN CCOc1ccc2nc(SCSc3nc(SC)ns3)sc2c1 ZINC000002505924 220539724 /nfs/dbraw/zinc/53/97/24/220539724.db2.gz BWUXICOBBNYMCR-UHFFFAOYSA-N 0 0 387.602 5.110 50 0 GKAARN CCN(CC)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002483695 220540212 /nfs/dbraw/zinc/54/02/12/220540212.db2.gz MVLPCQZOLOPXSS-UHFFFAOYSA-N 0 0 383.289 5.146 50 0 GKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000002549643 220540615 /nfs/dbraw/zinc/54/06/15/220540615.db2.gz NUPZQBPXAWQVPA-JTQLQIEISA-N 0 0 394.949 5.071 50 0 GKAARN C[C@@H](c1ccccc1)n1c(NC(=O)c2nc(Cl)cs2)nc2ccccc21 ZINC000225721592 208970729 /nfs/dbraw/zinc/97/07/29/208970729.db2.gz JXAMZPOEGUPZEH-LBPRGKRZSA-N 0 0 382.876 5.008 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 ZINC000002669168 220551665 /nfs/dbraw/zinc/55/16/65/220551665.db2.gz ACERPQXAFBIETR-UHFFFAOYSA-N 0 0 384.932 5.937 50 0 GKAARN CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 ZINC000002568244 220542900 /nfs/dbraw/zinc/54/29/00/220542900.db2.gz YNZFFALZMRAPHQ-SYYKKAFVSA-N 0 0 376.581 5.657 50 0 in-vivo GKAARN CCOC(=O)CCn1nc(-c2ccc(C)cc2)c(Cl)c1-c1ccc(C)cc1 ZINC000002733476 220557856 /nfs/dbraw/zinc/55/78/56/220557856.db2.gz AHUAYUBGCGOTOL-UHFFFAOYSA-N 0 0 382.891 5.441 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)c3ccccc3n2)c(C)c1 ZINC000002737690 220558868 /nfs/dbraw/zinc/55/88/68/220558868.db2.gz OYSJUNCHFFNLJZ-UHFFFAOYSA-N 0 0 394.518 6.696 50 0 GKAARN O=C(/C=C/c1c(Cl)cccc1Cl)N(Cc1ccco1)Cc1ccco1 ZINC000030471496 208978099 /nfs/dbraw/zinc/97/80/99/208978099.db2.gz MTUXXDVQULTUCP-CMDGGOBGSA-N 0 0 376.239 5.422 50 0 GKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002746885 220559645 /nfs/dbraw/zinc/55/96/45/220559645.db2.gz UTOFDDXZSDBZQI-UZUQRXQVSA-N 0 0 391.511 6.027 50 0 GKAARN CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCCCCCCCC2 ZINC000002760964 220562472 /nfs/dbraw/zinc/56/24/72/220562472.db2.gz MJPWACMQGSDONP-UHFFFAOYSA-N 0 0 391.577 5.883 50 0 GKAARN C[C@@H](Oc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O)c1ccccc1 ZINC000002716370 220553936 /nfs/dbraw/zinc/55/39/36/220553936.db2.gz YTQXPEMJKUXDKV-QGZVFWFLSA-N 0 0 375.443 5.164 50 0 GKAARN Cc1cccc(Cn2c(COc3cc(C)ccc3C(C)C)nc3ccccc32)c1 ZINC000002713445 220554930 /nfs/dbraw/zinc/55/49/30/220554930.db2.gz FLNBMMHFGMRZNT-UHFFFAOYSA-N 0 0 384.523 6.404 50 0 GKAARN CC[C@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000002721608 220556078 /nfs/dbraw/zinc/55/60/78/220556078.db2.gz RJWMYIDTLBFGFP-HNNXBMFYSA-N 0 0 387.526 5.373 50 0 GKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1sc2ccccc2c1Cl ZINC000002842207 220573165 /nfs/dbraw/zinc/57/31/65/220573165.db2.gz XJCQSXGLTSQDDA-UHFFFAOYSA-N 0 0 390.213 6.479 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccccc1F ZINC000002841610 220573738 /nfs/dbraw/zinc/57/37/38/220573738.db2.gz DCRWXYAEOOVVQG-UHFFFAOYSA-N 0 0 397.471 5.600 50 0 GKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967910 209001914 /nfs/dbraw/zinc/00/19/14/209001914.db2.gz VDOGWIXHODIPNR-GOSISDBHSA-N 0 0 384.479 5.170 50 0 GKAARN Cc1nnc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)s1 ZINC000002784969 220565061 /nfs/dbraw/zinc/56/50/61/220565061.db2.gz DQGDKNGRDXAFCL-UHFFFAOYSA-N 0 0 385.901 5.160 50 0 GKAARN Cc1ccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)c(C)c1 ZINC000064666415 209002751 /nfs/dbraw/zinc/00/27/51/209002751.db2.gz UYFOWLPBCVJJJR-UHFFFAOYSA-N 0 0 395.915 5.824 50 0 GKAARN Cc1ccc(/C=C/C(=O)Nc2cc(C)ccc2NC(=O)/C=C\c2ccc(C)o2)o1 ZINC000033291092 208994757 /nfs/dbraw/zinc/99/47/57/208994757.db2.gz QZIPVHNBWTZIIH-TVRQEHKRSA-N 0 0 390.439 5.102 50 0 GKAARN Cc1ccc2cccc(OCCCCOc3cccc(Br)c3)c2n1 ZINC000002823694 220571503 /nfs/dbraw/zinc/57/15/03/220571503.db2.gz XIVZYPVNZNCTAH-UHFFFAOYSA-N 0 0 386.289 5.544 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(c1ccccc1)c1ccccc1 ZINC000002991436 220593486 /nfs/dbraw/zinc/59/34/86/220593486.db2.gz GUDAWJUHWJVYPI-OAHLLOKOSA-N 0 0 386.278 6.126 50 0 GKAARN O=C(Nc1ccccc1-c1ccccc1)c1cc2cc(Cl)ccc2oc1=O ZINC000002866594 220576719 /nfs/dbraw/zinc/57/67/19/220576719.db2.gz GECFJCIKLWNRBA-UHFFFAOYSA-N 0 0 375.811 5.366 50 0 GKAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000002868995 220577894 /nfs/dbraw/zinc/57/78/94/220577894.db2.gz NWNFGDKEFOZJMN-OAHLLOKOSA-N 0 0 393.874 5.475 50 0 GKAARN CCc1cccc(CC)c1NC(=O)CSc1cc(C)c2cccc(C)c2n1 ZINC000002866586 220578165 /nfs/dbraw/zinc/57/81/65/220578165.db2.gz PZCTUFGUTGXNJY-UHFFFAOYSA-N 0 0 378.541 5.707 50 0 GKAARN CSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000002878189 220579645 /nfs/dbraw/zinc/57/96/45/220579645.db2.gz BLIRSGOGBVNGMU-MRXNPFEDSA-N 0 0 390.508 5.152 50 0 GKAARN CCc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccc(C)cc32)cc1 ZINC000002887221 220581380 /nfs/dbraw/zinc/58/13/80/220581380.db2.gz NBHSVSVOBQMVEA-HPNDGRJYSA-N 0 0 399.490 6.220 50 0 GKAARN Cc1ccc(Cn2c(=O)c3sccc3nc2SCc2cccc(F)c2)cc1 ZINC000002908586 220581748 /nfs/dbraw/zinc/58/17/48/220581748.db2.gz UFSAVSPXXFFMTL-UHFFFAOYSA-N 0 0 396.512 5.246 50 0 GKAARN COc1ccc2cc([C@@H]3C[C@H](c4ccc(Cl)cc4)n4ncnc4N3)ccc2c1 ZINC000002914808 220583335 /nfs/dbraw/zinc/58/33/35/220583335.db2.gz NALAAPHCHYSUQO-LEWJYISDSA-N 0 0 390.874 5.240 50 0 GKAARN Clc1cccc(CSc2nc3ccccc3c(NC3CCCCC3)n2)c1 ZINC000002948749 220587046 /nfs/dbraw/zinc/58/70/46/220587046.db2.gz NJDQTMFOMJCZJF-UHFFFAOYSA-N 0 0 383.948 6.320 50 0 GKAARN O=C1CS[C@@H](c2ccc(F)c(F)c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000002949434 220587117 /nfs/dbraw/zinc/58/71/17/220587117.db2.gz ZCYQHOSLWAWVQN-NRFANRHFSA-N 0 0 383.419 5.536 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000002947468 220587393 /nfs/dbraw/zinc/58/73/93/220587393.db2.gz WENVRZMWKWFYCP-MRXNPFEDSA-N 0 0 382.710 5.190 50 0 GKAARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3o2)cc1 ZINC000002998361 220595091 /nfs/dbraw/zinc/59/50/91/220595091.db2.gz FSYRTWINHFRXQQ-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C(C)(C)C)cc1)Nc1ccccc1-2 ZINC000002977338 220591183 /nfs/dbraw/zinc/59/11/83/220591183.db2.gz IXWOHKREEDJDKZ-LJQANCHMSA-N 0 0 392.528 5.451 50 0 GKAARN COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000002989217 220592416 /nfs/dbraw/zinc/59/24/16/220592416.db2.gz UGDFVAVLNDKEOG-RUDMXATFSA-N 0 0 396.339 5.065 50 0 GKAARN Cc1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000002988506 220593023 /nfs/dbraw/zinc/59/30/23/220593023.db2.gz GKKMGBUKXOBATN-UHFFFAOYSA-N 0 0 387.792 6.044 50 0 GKAARN COc1ccc2ccccc2c1/C=C1/N=C(c2ccc(Cl)c(Cl)c2)OC1=O ZINC000003017037 220596115 /nfs/dbraw/zinc/59/61/15/220596115.db2.gz WBZPHNADZWXUNY-WOJGMQOQSA-N 0 0 398.245 5.500 50 0 GKAARN O=C(NCCOc1ccc2oc3ccccc3c2c1)Nc1cccc2ccccc21 ZINC000003057024 220601571 /nfs/dbraw/zinc/60/15/71/220601571.db2.gz PNNQHHLZTJDARH-UHFFFAOYSA-N 0 0 396.446 5.940 50 0 GKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CSCc2cccc(Cl)c2)o1 ZINC000003056509 220601821 /nfs/dbraw/zinc/60/18/21/220601821.db2.gz ZKCCBLLVMPRWEU-KSSFIOAISA-N 0 0 377.937 5.675 50 0 GKAARN Cc1ccc(NCn2nc(-c3ccc(C(C)(C)C)cc3)oc2=S)cc1Cl ZINC000003096112 220602488 /nfs/dbraw/zinc/60/24/88/220602488.db2.gz OFQSTEFTWMLMRY-UHFFFAOYSA-N 0 0 387.936 6.202 50 0 GKAARN O=C(Nc1ccccc1)C(Nc1ccccc1)(Nc1ccccc1)C(F)(F)F ZINC000003124364 220604327 /nfs/dbraw/zinc/60/43/27/220604327.db2.gz IRFQVAXXBBKPAL-UHFFFAOYSA-N 0 0 385.389 5.108 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(OC(=S)N(CC(C)C)CC(C)C)cc2)cc1 ZINC000003112238 220605717 /nfs/dbraw/zinc/60/57/17/220605717.db2.gz BLSLVIGWNGWZKB-UHFFFAOYSA-N 0 0 398.572 5.525 50 0 GKAARN CC(C)(C)c1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000003222912 220612326 /nfs/dbraw/zinc/61/23/26/220612326.db2.gz BPSNRPHWFGLKTM-UHFFFAOYSA-N 0 0 399.575 5.635 50 0 GKAARN O=C(COc1cccc(F)c1)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000003346381 220630520 /nfs/dbraw/zinc/63/05/20/220630520.db2.gz BUIOWSGJQRQCGR-UHFFFAOYSA-N 0 0 394.427 5.245 50 0 GKAARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000003276090 220621058 /nfs/dbraw/zinc/62/10/58/220621058.db2.gz GLRAZLSFNVGSKH-UHFFFAOYSA-N 0 0 388.467 5.349 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003447147 220644752 /nfs/dbraw/zinc/64/47/52/220644752.db2.gz SFLMYTLFTZAWDX-AWEZNQCLSA-N 0 0 386.278 6.066 50 0 GKAARN Cc1ccccc1NC(=S)N(Cc1cn(C)c2ccccc12)Cc1ccccc1 ZINC000003585979 220658336 /nfs/dbraw/zinc/65/83/36/220658336.db2.gz JFDQPEXASKVJJH-UHFFFAOYSA-N 0 0 399.563 5.886 50 0 GKAARN Cc1ccccc1CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000004106585 220680930 /nfs/dbraw/zinc/68/09/30/220680930.db2.gz FWIHTUJGWVPKOM-UHFFFAOYSA-N 0 0 397.503 5.468 50 0 GKAARN CCOC(=O)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1Cl ZINC000003623218 220661716 /nfs/dbraw/zinc/66/17/16/220661716.db2.gz AUAZKIISLWVWOB-IBGZPJMESA-N 0 0 387.907 5.062 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 ZINC000003651708 220663662 /nfs/dbraw/zinc/66/36/62/220663662.db2.gz OUQOHTXKKABMDA-UHFFFAOYSA-N 0 0 394.496 5.154 50 0 GKAARN Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2ccccc2Cl)cc1 ZINC000003665474 220665065 /nfs/dbraw/zinc/66/50/65/220665065.db2.gz XYPSSRIIMYVLOJ-UHFFFAOYSA-N 0 0 381.932 5.443 50 0 GKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nn1-c1nc2ccccc2s1 ZINC000003766600 220665247 /nfs/dbraw/zinc/66/52/47/220665247.db2.gz IBBWLRFQZYWQJV-UHFFFAOYSA-N 0 0 379.794 5.821 50 0 GKAARN COc1ccccc1C1(c2ccccc2OC)c2ccccc2Nc2ccccc21 ZINC000003880280 220669398 /nfs/dbraw/zinc/66/93/98/220669398.db2.gz PWUYHKLTOJPAOE-UHFFFAOYSA-N 0 0 393.486 6.144 50 0 GKAARN CC(=O)O[C@@H](C)C[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000004004560 220670948 /nfs/dbraw/zinc/67/09/48/220670948.db2.gz ULUMDVIQPRUYGZ-UUOWRZLLSA-N 0 0 387.479 5.088 50 0 GKAARN Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O ZINC000004033263 220673779 /nfs/dbraw/zinc/67/37/79/220673779.db2.gz ZVLMNDOGRZTXHN-MRXNPFEDSA-N 0 0 381.907 5.175 50 0 GKAARN CCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000004033574 220674510 /nfs/dbraw/zinc/67/45/10/220674510.db2.gz VCRCZAIZHXPIOG-INIZCTEOSA-N 0 0 381.907 5.319 50 0 GKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)CSC3)c1 ZINC000004079153 220678005 /nfs/dbraw/zinc/67/80/05/220678005.db2.gz 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Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C ZINC000011916223 221136477 /nfs/dbraw/zinc/13/64/77/221136477.db2.gz WSGGXPADFHBEHR-QGZVFWFLSA-N 0 0 394.540 5.087 50 0 GKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012276080 221174828 /nfs/dbraw/zinc/17/48/28/221174828.db2.gz VUSRMDMMSZSLNN-ISKFKSNPSA-N 0 0 388.442 5.467 50 0 GKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)cc1C ZINC000012299254 221175940 /nfs/dbraw/zinc/17/59/40/221175940.db2.gz OSOQGBKGHPCHKO-VWLOTQADSA-N 0 0 383.495 5.028 50 0 GKAARN CC(C)Oc1ccc(CNC(=O)C[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000012296852 221176123 /nfs/dbraw/zinc/17/61/23/221176123.db2.gz JJQJNQYWVKIOIT-VWLOTQADSA-N 0 0 395.543 5.007 50 0 biogenic GKAARN Cc1ccsc1-c1nc(CN2CCC[C@H](C(=O)c3cccs3)C2)c(C)o1 ZINC000012304202 221178359 /nfs/dbraw/zinc/17/83/59/221178359.db2.gz KOBSSTDCMIBBHB-HNNXBMFYSA-N 0 0 386.542 5.176 50 0 GKAARN COc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)C1CCC1)C2 ZINC000012331385 221182373 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ZINC000012567850 221208649 /nfs/dbraw/zinc/20/86/49/221208649.db2.gz RGMJELFQLCUMJM-UHFFFAOYSA-N 0 0 399.490 5.531 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1OC ZINC000012578307 221210183 /nfs/dbraw/zinc/21/01/83/221210183.db2.gz VBMQRLHKXWIRLN-UHFFFAOYSA-N 0 0 393.508 5.724 50 0 GKAARN COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1ccc(Cl)cc1 ZINC000012371668 221186423 /nfs/dbraw/zinc/18/64/23/221186423.db2.gz RMUWDTHRXOTPER-INIZCTEOSA-N 0 0 399.899 5.463 50 0 GKAARN Oc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc32)c1 ZINC000012374210 221186571 /nfs/dbraw/zinc/18/65/71/221186571.db2.gz ZADYXTMVVQFGKF-FCDQGJHFSA-N 0 0 392.252 5.800 50 0 GKAARN COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1cccc(Cl)c1 ZINC000012371677 221186648 /nfs/dbraw/zinc/18/66/48/221186648.db2.gz RHKCDCOOOQJSRN-MRXNPFEDSA-N 0 0 399.899 5.463 50 0 GKAARN COc1cc(OC)c(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1Cl ZINC000012389364 221187512 /nfs/dbraw/zinc/18/75/12/221187512.db2.gz PELSJJCMFXSIOP-UHFFFAOYSA-N 0 0 382.847 5.035 50 0 GKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCOc2ccccc2C1 ZINC000012387261 221187977 /nfs/dbraw/zinc/18/79/77/221187977.db2.gz BRHKDBFYBFFNBR-UHFFFAOYSA-N 0 0 388.389 5.063 50 0 GKAARN C[C@H](c1ccccc1)n1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000012401958 221188447 /nfs/dbraw/zinc/18/84/47/221188447.db2.gz DUDOKVGGLIAMNW-LJQANCHMSA-N 0 0 384.523 6.522 50 0 GKAARN Clc1cc2c(c3ncccc13)OCN(C(c1ccccc1)c1ccccc1)C2 ZINC000012589385 221211930 /nfs/dbraw/zinc/21/19/30/221211930.db2.gz CSYSLDLQXRLGTR-UHFFFAOYSA-N 0 0 386.882 5.830 50 0 GKAARN C[C@H](Nc1nc(-c2ccc(CNC(=O)C(C)(C)C)s2)cs1)c1ccccc1 ZINC000012622368 221215387 /nfs/dbraw/zinc/21/53/87/221215387.db2.gz JNLCUKDZNQBJDH-AWEZNQCLSA-N 0 0 399.585 5.707 50 0 GKAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000012621304 221215624 /nfs/dbraw/zinc/21/56/24/221215624.db2.gz JKPMSAHMJGFAPP-HNNXBMFYSA-N 0 0 392.911 5.892 50 0 GKAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000012619345 221215645 /nfs/dbraw/zinc/21/56/45/221215645.db2.gz WJVWKPAWVRNAHC-UHFFFAOYSA-N 0 0 379.218 5.359 50 0 GKAARN Cc1ccccc1SC1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)CC1 ZINC000012711179 221218882 /nfs/dbraw/zinc/21/88/82/221218882.db2.gz VSLYFTVNCAZKOB-UHFFFAOYSA-N 0 0 392.524 5.411 50 0 GKAARN Cc1cccc(-n2cc(CN(C)Cc3nccs3)c(-c3cccc(F)c3)n2)c1 ZINC000012706357 221219107 /nfs/dbraw/zinc/21/91/07/221219107.db2.gz YOZHMYXWZOLRLM-UHFFFAOYSA-N 0 0 392.503 5.075 50 0 GKAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000012803879 221233912 /nfs/dbraw/zinc/23/39/12/221233912.db2.gz QOBMKRLOAKQXFZ-HNNXBMFYSA-N 0 0 390.483 5.110 50 0 GKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)[C@@H](C)c1nccs1 ZINC000012749893 221224747 /nfs/dbraw/zinc/22/47/47/221224747.db2.gz OJIGVYPHHHLYST-NSHDSACASA-N 0 0 381.423 5.318 50 0 GKAARN O=C(COc1ccccc1-c1ccccc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000012759754 221226662 /nfs/dbraw/zinc/22/66/62/221226662.db2.gz QOAYRKRHSRXLGX-HXUWFJFHSA-N 0 0 393.483 5.225 50 0 GKAARN Cc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1 ZINC000012770277 221229121 /nfs/dbraw/zinc/22/91/21/221229121.db2.gz AEAYFBUXCFQDIM-UHFFFAOYSA-N 0 0 390.266 5.288 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)Cc1ccccc1Cl ZINC000012784437 221231459 /nfs/dbraw/zinc/23/14/59/221231459.db2.gz OFGWTKXZUNMEIH-UHFFFAOYSA-N 0 0 375.859 5.144 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C ZINC000012785219 221231545 /nfs/dbraw/zinc/23/15/45/221231545.db2.gz WXNIHYIIEYTDAF-OAHLLOKOSA-N 0 0 395.499 5.009 50 0 GKAARN CCc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)sc1C ZINC000012787292 221231573 /nfs/dbraw/zinc/23/15/73/221231573.db2.gz NBDQYRLRWPZUSQ-UHFFFAOYSA-N 0 0 379.485 5.515 50 0 GKAARN COc1ccccc1N(C(C)=O)c1nc(CSc2ccc(C)cc2)cs1 ZINC000012797796 221233479 /nfs/dbraw/zinc/23/34/79/221233479.db2.gz DWPPCWNENSVNJA-UHFFFAOYSA-N 0 0 384.526 5.437 50 0 GKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccc(F)cc4)o3)co2)c(C)c1 ZINC000012909506 221244853 /nfs/dbraw/zinc/24/48/53/221244853.db2.gz DWHJEKYYNJKFRM-UHFFFAOYSA-N 0 0 381.432 5.440 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)c3cccnc3SC(F)F)s2)cc1 ZINC000012907851 221244869 /nfs/dbraw/zinc/24/48/69/221244869.db2.gz UXLUWLWTGRQUOJ-UHFFFAOYSA-N 0 0 391.468 5.004 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1occc1COc1ccccc1 ZINC000012818465 221235768 /nfs/dbraw/zinc/23/57/68/221235768.db2.gz CKWGAHUGLGYPJP-UHFFFAOYSA-N 0 0 383.875 5.889 50 0 GKAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000012817370 221235977 /nfs/dbraw/zinc/23/59/77/221235977.db2.gz GYPWVBVRXVIMKE-AREMUKBSSA-N 0 0 396.490 5.313 50 0 GKAARN CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2ccc(F)c(Cl)c2)cc1 ZINC000012908475 221244925 /nfs/dbraw/zinc/24/49/25/221244925.db2.gz VMYUPBGFWJPCTJ-UHFFFAOYSA-N 0 0 379.884 5.439 50 0 GKAARN Cc1cccc(C)c1NC(=O)CCCSCc1nc(-c2cccs2)no1 ZINC000012858602 221239541 /nfs/dbraw/zinc/23/95/41/221239541.db2.gz JIKPWCUOPOJVMD-UHFFFAOYSA-N 0 0 387.530 5.067 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000012887450 221241678 /nfs/dbraw/zinc/24/16/78/221241678.db2.gz YMSSWCOVDNBKFR-QHCPKHFHSA-N 0 0 387.479 5.105 50 0 GKAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1nc2ccccc2s1 ZINC000012916241 221246091 /nfs/dbraw/zinc/24/60/91/221246091.db2.gz SCAYLHWXABFZLM-LLVKDONJSA-N 0 0 394.327 5.062 50 0 GKAARN CCCc1ccc([C@H](NCc2nc(-c3cccs3)no2)c2cccs2)cc1 ZINC000012918608 221246267 /nfs/dbraw/zinc/24/62/67/221246267.db2.gz KXYOLCQQRQVZDN-FQEVSTJZSA-N 0 0 395.553 5.691 50 0 GKAARN Cc1cc(-c2cc(C(=O)Nc3cc(F)ccc3C)c3c(C)noc3n2)c(C)s1 ZINC000012928456 221248140 /nfs/dbraw/zinc/24/81/40/221248140.db2.gz SIMVOQXVNCEDCN-UHFFFAOYSA-N 0 0 395.459 5.576 50 0 GKAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1-c1ccccc1 ZINC000012934579 221248193 /nfs/dbraw/zinc/24/81/93/221248193.db2.gz FZTCPDXMVZPTTQ-UHFFFAOYSA-N 0 0 393.870 5.350 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012972377 221250155 /nfs/dbraw/zinc/25/01/55/221250155.db2.gz LEPYFRFUPIDYIS-UHFFFAOYSA-N 0 0 387.527 5.860 50 0 GKAARN CC(C)Oc1cccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)c1 ZINC000012949021 221250284 /nfs/dbraw/zinc/25/02/84/221250284.db2.gz RTIMNSYIVNAITG-UHFFFAOYSA-N 0 0 397.478 5.014 50 0 GKAARN Cc1cccc(NC(=O)[C@H](C)SCCCC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000012973380 221251305 /nfs/dbraw/zinc/25/13/05/221251305.db2.gz QAXONDHXEQGSSG-IBGZPJMESA-N 0 0 398.572 5.399 50 0 GKAARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(-c2nccs2)cc1 ZINC000013001953 221255671 /nfs/dbraw/zinc/25/56/71/221255671.db2.gz ORRRAUYEHSZVJL-UHFFFAOYSA-N 0 0 379.268 5.134 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cnn(-c2cccc(C)c2)c1C ZINC000012918010 221245907 /nfs/dbraw/zinc/24/59/07/221245907.db2.gz DAFPZLSKMXUXSP-UHFFFAOYSA-N 0 0 377.488 5.048 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 ZINC000013331269 221265149 /nfs/dbraw/zinc/26/51/49/221265149.db2.gz PRGFHSRQWBSWTB-HNNXBMFYSA-N 0 0 394.494 5.845 50 0 GKAARN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000013329851 221265210 /nfs/dbraw/zinc/26/52/10/221265210.db2.gz IZJIXNXIOXBXRJ-SECBINFHSA-N 0 0 377.193 5.895 50 0 GKAARN Cc1cc(C)c(OCCOc2cccc3ccc(C)nc32)c(Br)c1 ZINC000013285149 221265462 /nfs/dbraw/zinc/26/54/62/221265462.db2.gz CSLJWSSWGNKBBB-UHFFFAOYSA-N 0 0 386.289 5.380 50 0 GKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CCCCCC1 ZINC000013368906 221267128 /nfs/dbraw/zinc/26/71/28/221267128.db2.gz KMQSKSCRAQIGBQ-UHFFFAOYSA-N 0 0 381.907 5.196 50 0 GKAARN C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369018 221267164 /nfs/dbraw/zinc/26/71/64/221267164.db2.gz DALOFGAQYMOQLX-DNVCBOLYSA-N 0 0 381.907 5.052 50 0 GKAARN CCn1c(CCc2cccc(NC(=O)Nc3cccc(C)c3)c2)nc2ccccc21 ZINC000013347686 221265954 /nfs/dbraw/zinc/26/59/54/221265954.db2.gz BLUGFKWIUQWITG-UHFFFAOYSA-N 0 0 398.510 5.794 50 0 GKAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1ccco1 ZINC000013369449 221266785 /nfs/dbraw/zinc/26/67/85/221266785.db2.gz PWWACBWQFFWSJZ-UHFFFAOYSA-N 0 0 393.874 5.046 50 0 GKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2)o1 ZINC000013010516 221256918 /nfs/dbraw/zinc/25/69/18/221256918.db2.gz NSRJEEMPBZVJPH-SFHVURJKSA-N 0 0 397.478 5.545 50 0 GKAARN O=C(c1csc(-c2ccco2)n1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000013015017 221258174 /nfs/dbraw/zinc/25/81/74/221258174.db2.gz KQTPRGSDUQQGQO-LJQANCHMSA-N 0 0 392.505 5.253 50 0 GKAARN COc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369068 221266978 /nfs/dbraw/zinc/26/69/78/221266978.db2.gz KPRDCEOBIQQXDO-UHFFFAOYSA-N 0 0 391.858 5.004 50 0 GKAARN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000013030728 221258659 /nfs/dbraw/zinc/25/86/59/221258659.db2.gz ZWBDZVWZZHPCFY-FQTAANOTSA-N 0 0 394.562 7.100 50 0 GKAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1 ZINC000013058948 221258738 /nfs/dbraw/zinc/25/87/38/221258738.db2.gz VSYKGJMXVFGFTG-GOSISDBHSA-N 0 0 392.930 5.066 50 0 GKAARN CC(C)c1ccc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000013039729 221259422 /nfs/dbraw/zinc/25/94/22/221259422.db2.gz JNNDDVQRXHCAAI-AWEZNQCLSA-N 0 0 379.331 5.576 50 0 GKAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000013030990 221259454 /nfs/dbraw/zinc/25/94/54/221259454.db2.gz BLDTZZMLBFKAKU-INIZCTEOSA-N 0 0 389.886 5.229 50 0 GKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(OC)c1 ZINC000013362020 221267017 /nfs/dbraw/zinc/26/70/17/221267017.db2.gz IKVDUFRYSQKVGH-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN Cc1cc(F)ccc1N[C@@H](c1nnc(-c2ccccc2F)o1)c1ccccc1 ZINC000013364412 221267028 /nfs/dbraw/zinc/26/70/28/221267028.db2.gz SOEJNCHRXQJRQF-HXUWFJFHSA-N 0 0 377.394 5.525 50 0 GKAARN CCc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000013148919 221262838 /nfs/dbraw/zinc/26/28/38/221262838.db2.gz ZVVVHMQTPHUNGF-UHFFFAOYSA-N 0 0 377.391 5.039 50 0 GKAARN O=C(Oc1ccccc1)n1c2cc(Cl)c(Cl)cc2nc1C(F)(F)F ZINC000013209908 221264383 /nfs/dbraw/zinc/26/43/83/221264383.db2.gz ISVQSVPUDBVFFU-UHFFFAOYSA-N 0 0 375.133 5.409 50 0 in-vitro GKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)c(Cl)c1 ZINC000013226693 221264496 /nfs/dbraw/zinc/26/44/96/221264496.db2.gz YROJWYOAASETNN-CYBMUJFWSA-N 0 0 399.281 5.132 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013331382 221264829 /nfs/dbraw/zinc/26/48/29/221264829.db2.gz SPXQWEDJQOFMBF-UHFFFAOYSA-N 0 0 386.858 5.293 50 0 GKAARN CC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C(C)C)cc1 ZINC000013320445 221264857 /nfs/dbraw/zinc/26/48/57/221264857.db2.gz IXLPPARQLPREKH-QGZVFWFLSA-N 0 0 398.856 6.755 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000013596030 221276654 /nfs/dbraw/zinc/27/66/54/221276654.db2.gz UJQFAHODESNSPK-QFIPXVFZSA-N 0 0 377.532 5.744 50 0 GKAARN Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013368981 221267230 /nfs/dbraw/zinc/26/72/30/221267230.db2.gz OHKXHLQKAXNNDM-UHFFFAOYSA-N 0 0 389.886 5.612 50 0 GKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)C1CCCCC1 ZINC000013370055 221268092 /nfs/dbraw/zinc/26/80/92/221268092.db2.gz XRWLMEFGRQIIGJ-UXHICEINSA-N 0 0 398.595 5.376 50 0 biogenic GKAARN Cc1csc2sc(C(=O)N=[S@@](C)(=O)c3ccc(Cl)cc3)c(C)c12 ZINC000013466136 221269013 /nfs/dbraw/zinc/26/90/13/221269013.db2.gz RNNJBBAPXVRNAH-QHCPKHFHSA-N 0 0 383.947 5.530 50 0 GKAARN O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@@H]2c1ccc(Cl)cc1 ZINC000013465785 221269020 /nfs/dbraw/zinc/26/90/20/221269020.db2.gz OAQHVOFDSXZHLQ-UEVCKROQSA-N 0 0 388.854 5.645 50 0 GKAARN CN(C(=S)Nc1ccc(F)cc1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000013479180 221269538 /nfs/dbraw/zinc/26/95/38/221269538.db2.gz USHPDYNDKXETOS-HXUWFJFHSA-N 0 0 390.911 5.146 50 0 GKAARN COc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 ZINC000013482362 221269930 /nfs/dbraw/zinc/26/99/30/221269930.db2.gz KFVULQMXFMTEBH-VINFYQEGSA-N 0 0 375.512 5.480 50 0 GKAARN Cc1cccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000013513108 221270288 /nfs/dbraw/zinc/27/02/88/221270288.db2.gz OMWSVSDDOMOBIC-OAQYLSRUSA-N 0 0 395.506 5.222 50 0 GKAARN CCOc1cc(-c2cccs2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c21 ZINC000013539858 221271183 /nfs/dbraw/zinc/27/11/83/221271183.db2.gz ZWMXGBAKSYGYKD-LKUDQCMESA-N 0 0 389.520 6.718 50 0 GKAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)Nc1ccccc1Cl ZINC000013537891 221271331 /nfs/dbraw/zinc/27/13/31/221271331.db2.gz QSEHZQFJMTYENN-UHFFFAOYSA-N 0 0 380.860 5.656 50 0 GKAARN C[C@@H](c1cccs1)N(Cc1ccco1)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000013544642 221271771 /nfs/dbraw/zinc/27/17/71/221271771.db2.gz PDMCFHIAZAWNQW-LBPRGKRZSA-N 0 0 394.924 6.094 50 0 GKAARN O=C(Nc1nnc(COc2ccccc2Cl)s1)Nc1ccc(Cl)cc1 ZINC000013548431 221272198 /nfs/dbraw/zinc/27/21/98/221272198.db2.gz XTQNVSUXZQNLLA-UHFFFAOYSA-N 0 0 395.271 5.068 50 0 GKAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)(C)C)c(C)c1 ZINC000013770514 221288225 /nfs/dbraw/zinc/28/82/25/221288225.db2.gz IIGJVMRLXFWCFT-UHFFFAOYSA-N 0 0 376.500 5.033 50 0 GKAARN COc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2C)cc1 ZINC000013786472 221289585 /nfs/dbraw/zinc/28/95/85/221289585.db2.gz DVITUKJKEPTQAE-UHFFFAOYSA-N 0 0 387.483 5.044 50 0 GKAARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccc(C)cc2)C12CCCCC2 ZINC000013739321 221286709 /nfs/dbraw/zinc/28/67/09/221286709.db2.gz NEHKLIGTWOOPCC-UHFFFAOYSA-N 0 0 391.584 6.184 50 0 GKAARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)N[C@H](C)c1ccccc1 ZINC000013943241 221292871 /nfs/dbraw/zinc/29/28/71/221292871.db2.gz IAVRBZKIURULTO-GOSISDBHSA-N 0 0 398.506 5.475 50 0 GKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000013881943 221293123 /nfs/dbraw/zinc/29/31/23/221293123.db2.gz NJCKWZGDGNSPHK-IFFNPIFZSA-N 0 0 393.468 5.074 50 0 GKAARN Cn1cc([C@@H]2c3ccccc3C(=O)N2C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000013944006 221293178 /nfs/dbraw/zinc/29/31/78/221293178.db2.gz YWPWZVDHLFNJCD-OQAHHZTMSA-N 0 0 396.534 5.692 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)Nc1ccc(Br)cc1C ZINC000013944159 221293410 /nfs/dbraw/zinc/29/34/10/221293410.db2.gz YLULOTFXFKTKMZ-UHFFFAOYSA-N 0 0 398.098 5.472 50 0 GKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000013881944 221293456 /nfs/dbraw/zinc/29/34/56/221293456.db2.gz NJCKWZGDGNSPHK-DYQNFANBSA-N 0 0 393.468 5.074 50 0 GKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2ccc(C)cc2)c1-c1ccc(C)c(C)c1 ZINC000013960701 221294718 /nfs/dbraw/zinc/29/47/18/221294718.db2.gz LPJMQXPRRRODIS-UHFFFAOYSA-N 0 0 394.562 7.116 50 0 GKAARN O=C(c1ccccc1OCc1csc(-c2ccc(Cl)cc2)n1)N1CCCC1 ZINC000013981557 221294792 /nfs/dbraw/zinc/29/47/92/221294792.db2.gz SMZGEEUBHKHSFJ-UHFFFAOYSA-N 0 0 398.915 5.279 50 0 GKAARN Cc1c(-c2ccc(C)cc2)nn(-c2ccc(C)c(Cl)c2)c1-c1ccc(C)cc1 ZINC000013960780 221294795 /nfs/dbraw/zinc/29/47/95/221294795.db2.gz ANBRSFULSWGCTN-UHFFFAOYSA-N 0 0 386.926 7.093 50 0 GKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2ccccc2F)c1-c1ccc(C)c(C)c1 ZINC000013960755 221294808 /nfs/dbraw/zinc/29/48/08/221294808.db2.gz DTIWWMWNXKHDPO-UHFFFAOYSA-N 0 0 398.525 6.947 50 0 GKAARN CC(=O)c1cc(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)oc1C ZINC000014183359 221301974 /nfs/dbraw/zinc/30/19/74/221301974.db2.gz ZHFUPLLFIDZPCO-NRFANRHFSA-N 0 0 399.537 5.021 50 0 GKAARN Cc1sc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)nc1-c1ccc(F)cc1 ZINC000014083025 221298165 /nfs/dbraw/zinc/29/81/65/221298165.db2.gz QFGZEYAAWBNBRY-SJCJKPOMSA-N 0 0 384.476 5.545 50 0 GKAARN CCOc1ccc(OCCCOc2ccc(Cl)cc2Br)cc1 ZINC000014084019 221298334 /nfs/dbraw/zinc/29/83/34/221298334.db2.gz OCAUYYCLWIZPPO-UHFFFAOYSA-N 0 0 385.685 5.349 50 0 GKAARN CCn1c(SCc2cccc(C)c2)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC000014090384 221298573 /nfs/dbraw/zinc/29/85/73/221298573.db2.gz BTIXVNVAOFLZNM-HNNXBMFYSA-N 0 0 387.936 5.692 50 0 GKAARN Cc1ccc2c(CC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)coc2c1 ZINC000014092993 221298998 /nfs/dbraw/zinc/29/89/98/221298998.db2.gz HKYHVEDEWFBWCE-MRXNPFEDSA-N 0 0 390.508 5.300 50 0 GKAARN CCc1sc(-c2nnc(CN[C@H](c3cccs3)c3ccccc3)o2)cc1C ZINC000014157474 221301435 /nfs/dbraw/zinc/30/14/35/221301435.db2.gz CVZWLDQGUANGQU-FQEVSTJZSA-N 0 0 395.553 5.610 50 0 GKAARN CC(C)C(=O)SCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000013829439 221290918 /nfs/dbraw/zinc/29/09/18/221290918.db2.gz MDYDGUOQFUQOGE-UHFFFAOYSA-N 0 0 390.574 5.615 50 0 in-vitro GKAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1nc(Cl)ccc1Cl ZINC000014586192 221312269 /nfs/dbraw/zinc/31/22/69/221312269.db2.gz MXGOIRVUJILVGO-UHFFFAOYSA-N 0 0 386.210 5.042 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014183854 221302552 /nfs/dbraw/zinc/30/25/52/221302552.db2.gz GIJALACBDUMQMC-UHFFFAOYSA-N 0 0 390.464 5.166 50 0 GKAARN Cc1sc2ncnc(SCc3nc(-c4ccc(C)c(F)c4)no3)c2c1C ZINC000014198798 221303848 /nfs/dbraw/zinc/30/38/48/221303848.db2.gz MIBOGRZMVVOILU-UHFFFAOYSA-N 0 0 386.477 5.098 50 0 GKAARN CN(Cc1ccc2ccccc2c1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000014232435 221306131 /nfs/dbraw/zinc/30/61/31/221306131.db2.gz PQGWQSQKSHUXOS-UHFFFAOYSA-N 0 0 378.522 5.226 50 0 GKAARN COc1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000014427377 221310818 /nfs/dbraw/zinc/31/08/18/221310818.db2.gz WYSWLZLXUPKBEW-UHFFFAOYSA-N 0 0 397.858 5.189 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1cccc2cccnc21 ZINC000014517012 221311127 /nfs/dbraw/zinc/31/11/27/221311127.db2.gz JZNTXYUTPAPTDA-UHFFFAOYSA-N 0 0 390.874 5.002 50 0 GKAARN Cc1nc(NCc2cccc(C)c2)sc1-c1ccn(Cc2ccsc2)n1 ZINC000014967100 221321909 /nfs/dbraw/zinc/32/19/09/221321909.db2.gz NQCCSTDCPHVFMP-UHFFFAOYSA-N 0 0 380.542 5.345 50 0 GKAARN COc1ccc(CN(C(=O)C(C)C)C2CCCC2)cc1OCc1cccs1 ZINC000014963595 221322341 /nfs/dbraw/zinc/32/23/41/221322341.db2.gz DGTYUJICQQKGDX-UHFFFAOYSA-N 0 0 387.545 5.263 50 0 GKAARN CCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1 ZINC000014609634 221313276 /nfs/dbraw/zinc/31/32/76/221313276.db2.gz MGCQAYKYBKJCEF-UHFFFAOYSA-N 0 0 382.467 5.057 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000014701487 221314003 /nfs/dbraw/zinc/31/40/03/221314003.db2.gz QFSOXJYEQZUGNL-LBPRGKRZSA-N 0 0 397.837 5.210 50 0 GKAARN COc1ccc(CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1F ZINC000014701297 221314428 /nfs/dbraw/zinc/31/44/28/221314428.db2.gz XKMVERUIYJLLBF-JOCHJYFZSA-N 0 0 395.499 5.326 50 0 GKAARN CC(C)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000014674705 221314687 /nfs/dbraw/zinc/31/46/87/221314687.db2.gz RHQVLNIPQMNECL-UHFFFAOYSA-N 0 0 386.524 5.745 50 0 GKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)OCc1nc2ccccc2n1C(F)F ZINC000014902550 221319042 /nfs/dbraw/zinc/31/90/42/221319042.db2.gz ZVSUXLRODXIWIE-SOFGYWHQSA-N 0 0 397.208 5.495 50 0 GKAARN CC(C)c1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014909755 221319264 /nfs/dbraw/zinc/31/92/64/221319264.db2.gz LHZMTNZQHFNXRT-UHFFFAOYSA-N 0 0 378.086 6.071 50 0 GKAARN Cc1nc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)ccc2o1 ZINC000015542188 221336652 /nfs/dbraw/zinc/33/66/52/221336652.db2.gz LCBABMNCBMIMEQ-UHFFFAOYSA-N 0 0 394.434 5.241 50 0 GKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccccc3)C2=O)cc1C ZINC000015413379 221336846 /nfs/dbraw/zinc/33/68/46/221336846.db2.gz KLXNLAXZGPISLR-RUZDIDTESA-N 0 0 398.506 5.041 50 0 GKAARN CCOc1ccc(Br)cc1[C@@H]1Nc2ccc(C)cc2[C@H]2OCC[C@H]21 ZINC000015018083 221327068 /nfs/dbraw/zinc/32/70/68/221327068.db2.gz VGKOLBNKOJJTND-KPOBHBOGSA-N 0 0 388.305 5.401 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(F)cc3Cl)cc12 ZINC000015585842 221337717 /nfs/dbraw/zinc/33/77/17/221337717.db2.gz PGDIUNXNOVMXJW-UHFFFAOYSA-N 0 0 385.851 5.440 50 0 GKAARN CCN1c2cc(NC(=O)N3CCC(C)CC3)ccc2Sc2ccccc2C1=O ZINC000015671847 221338564 /nfs/dbraw/zinc/33/85/64/221338564.db2.gz KOXMCEQWUNNWEH-UHFFFAOYSA-N 0 0 395.528 5.082 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000015681475 221340147 /nfs/dbraw/zinc/34/01/47/221340147.db2.gz TVBUAKBIIRPHBM-UHFFFAOYSA-N 0 0 398.510 5.656 50 0 GKAARN Cc1ccc(Nc2nc3c(cnn3C)c(Nc3ccc(Cl)cc3C)n2)cc1C ZINC000015682334 221340607 /nfs/dbraw/zinc/34/06/07/221340607.db2.gz GTVKZBAAPKYGLE-UHFFFAOYSA-N 0 0 392.894 5.429 50 0 GKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(C)c2)cc1 ZINC000015724723 221341586 /nfs/dbraw/zinc/34/15/86/221341586.db2.gz YYTBUISNNOTAGQ-VWLOTQADSA-N 0 0 395.506 5.964 50 0 GKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000015732171 221342685 /nfs/dbraw/zinc/34/26/85/221342685.db2.gz CDFXTBXNAOZGAE-YVXFQLMNSA-N 0 0 389.543 5.422 50 0 GKAARN Cc1c(C[NH2+][C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000015776975 221343921 /nfs/dbraw/zinc/34/39/21/221343921.db2.gz OUESFWRORGOWSA-HNNXBMFYSA-N 0 0 396.918 5.356 50 0 GKAARN O=C(CCc1ccccc1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000015777693 221345003 /nfs/dbraw/zinc/34/50/03/221345003.db2.gz PIMVLXKRVHZOQN-UHFFFAOYSA-N 0 0 390.483 5.109 50 0 GKAARN CCOc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 ZINC000015786518 221345830 /nfs/dbraw/zinc/34/58/30/221345830.db2.gz MEVZUMYZYDJWQK-UHFFFAOYSA-N 0 0 395.459 5.161 50 0 GKAARN CCCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 ZINC000015838583 221346787 /nfs/dbraw/zinc/34/67/87/221346787.db2.gz RFBQLEDLROXQGZ-UHFFFAOYSA-N 0 0 397.858 5.225 50 0 GKAARN CN(C(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835606 221347056 /nfs/dbraw/zinc/34/70/56/221347056.db2.gz SDGHNVDXLZSADL-HXUWFJFHSA-N 0 0 380.900 5.744 50 0 GKAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000015833275 221347168 /nfs/dbraw/zinc/34/71/68/221347168.db2.gz INWXCQFCLAVCBK-CQSZACIVSA-N 0 0 382.529 5.909 50 0 GKAARN Cc1c(C)n(-c2cccc(C)c2C)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000015842317 221347690 /nfs/dbraw/zinc/34/76/90/221347690.db2.gz HMDFOWUYVHSOFC-UHFFFAOYSA-N 0 0 381.483 5.277 50 0 GKAARN Cc1c(C)n(-c2ccc(C)cc2C)c2ncn3nc(-c4ccc(F)cc4)nc3c12 ZINC000015842323 221347850 /nfs/dbraw/zinc/34/78/50/221347850.db2.gz JQAHTJPTCGITSM-UHFFFAOYSA-N 0 0 385.446 5.108 50 0 GKAARN CCCCCOc1ccc(C(=O)Nc2ccc(OCC)c3ncccc23)cc1 ZINC000015840776 221347923 /nfs/dbraw/zinc/34/79/23/221347923.db2.gz JVSUGKGRDBKDER-UHFFFAOYSA-N 0 0 378.472 5.455 50 0 GKAARN Cc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)cc1 ZINC000015840009 221348146 /nfs/dbraw/zinc/34/81/46/221348146.db2.gz DHMHNGSWQXLBJH-UHFFFAOYSA-N 0 0 396.416 6.084 50 0 GKAARN CCCCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn21 ZINC000015840033 221348162 /nfs/dbraw/zinc/34/81/62/221348162.db2.gz FBIUJGUYYIPMHZ-UHFFFAOYSA-N 0 0 376.426 5.634 50 0 GKAARN CCCCOc1ccc(NC(=O)c2cccc(OCCC)c2)c2cccnc12 ZINC000015841138 221348238 /nfs/dbraw/zinc/34/82/38/221348238.db2.gz UQHUDNJQMPPSLR-UHFFFAOYSA-N 0 0 378.472 5.455 50 0 GKAARN CCCCOc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c2cccnc12 ZINC000015841098 221348242 /nfs/dbraw/zinc/34/82/42/221348242.db2.gz PIWSTGJZWMHJGW-UHFFFAOYSA-N 0 0 378.472 5.453 50 0 GKAARN Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCCC2)o1 ZINC000015860455 221349305 /nfs/dbraw/zinc/34/93/05/221349305.db2.gz GHCRMLZAHCTPPQ-OAHLLOKOSA-N 0 0 388.920 5.023 50 0 GKAARN COc1ccccc1NC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1OC ZINC000015864413 221349751 /nfs/dbraw/zinc/34/97/51/221349751.db2.gz USZAJHQHISKHJC-UHFFFAOYSA-N 0 0 389.411 5.156 50 0 GKAARN O=C(Nc1ccc(Br)cc1F)N1CCCCC[C@H]1c1cccs1 ZINC000015867054 221349762 /nfs/dbraw/zinc/34/97/62/221349762.db2.gz OWXFLTQEOJRQMM-HNNXBMFYSA-N 0 0 397.313 5.799 50 0 GKAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1cc(C)c(C)cc1C ZINC000015866851 221349927 /nfs/dbraw/zinc/34/99/27/221349927.db2.gz KVBMESVMNPPFEA-SFHVURJKSA-N 0 0 377.575 5.288 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)c1ccccc1 ZINC000015863856 221349934 /nfs/dbraw/zinc/34/99/34/221349934.db2.gz ODXYNGMQFXSKDI-OAQYLSRUSA-N 0 0 383.495 5.480 50 0 GKAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)c1 ZINC000015865693 221349997 /nfs/dbraw/zinc/34/99/97/221349997.db2.gz BVICZSRZTNZFEA-RUZDIDTESA-N 0 0 380.491 5.573 50 0 GKAARN Cn1c(CCc2cccc(NC(=O)CCC3CCCC3)c2)nc2ccccc21 ZINC000015863681 221350101 /nfs/dbraw/zinc/35/01/01/221350101.db2.gz FGOODYZULUJYFG-UHFFFAOYSA-N 0 0 375.516 5.267 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccs2)cc1 ZINC000015866846 221350194 /nfs/dbraw/zinc/35/01/94/221350194.db2.gz UZNRAZSMOFKRBB-SFHVURJKSA-N 0 0 377.575 5.352 50 0 GKAARN O=C(NCc1ccc(F)cc1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865002 221350340 /nfs/dbraw/zinc/35/03/40/221350340.db2.gz YGRAVHYIIXUXAS-UHFFFAOYSA-N 0 0 380.806 5.217 50 0 GKAARN CC(C)Oc1ccc(CNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1 ZINC000015865747 221350418 /nfs/dbraw/zinc/35/04/18/221350418.db2.gz NTUVBEYKROFMCW-UHFFFAOYSA-N 0 0 394.858 5.352 50 0 GKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 ZINC000016205863 221358551 /nfs/dbraw/zinc/35/85/51/221358551.db2.gz VCJZFHIDLLISHI-UHFFFAOYSA-N 0 0 390.867 5.004 50 0 GKAARN COc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000016216836 221359593 /nfs/dbraw/zinc/35/95/93/221359593.db2.gz JTHNDEFDLXALMG-UHFFFAOYSA-N 0 0 384.504 6.112 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C ZINC000016348416 221360529 /nfs/dbraw/zinc/36/05/29/221360529.db2.gz PULWQMRKQMZVBL-UHFFFAOYSA-N 0 0 386.451 5.681 50 0 GKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000016347594 221360867 /nfs/dbraw/zinc/36/08/67/221360867.db2.gz LADFCLMZVIFUOD-UHFFFAOYSA-N 0 0 383.495 6.088 50 0 GKAARN Cc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c(C)n1Cc1ccco1 ZINC000016506150 221365460 /nfs/dbraw/zinc/36/54/60/221365460.db2.gz KVWLQERFJWGCIK-UHFFFAOYSA-N 0 0 391.496 5.430 50 0 GKAARN C[C@H]1CCCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1 ZINC000016641701 221368278 /nfs/dbraw/zinc/36/82/78/221368278.db2.gz IBXOLVKBKXRLOH-HNNXBMFYSA-N 0 0 382.554 5.461 50 0 GKAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 ZINC000015974979 221353950 /nfs/dbraw/zinc/35/39/50/221353950.db2.gz GAPITKKZTJOALO-IUODEOHRSA-N 0 0 395.500 5.113 50 0 GKAARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000017085917 221379715 /nfs/dbraw/zinc/37/97/15/221379715.db2.gz KWAQDHZYCWTACC-UWJYYQICSA-N 0 0 390.552 5.906 50 0 GKAARN COc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000017113233 221380140 /nfs/dbraw/zinc/38/01/40/221380140.db2.gz ZMCJTRRWKIJISF-UHFFFAOYSA-N 0 0 395.271 5.165 50 0 GKAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000017121333 221380155 /nfs/dbraw/zinc/38/01/55/221380155.db2.gz YWCNCJMCWPYMJX-UHFFFAOYSA-N 0 0 396.475 5.467 50 0 GKAARN CCCC[NH+](CCCC)Cc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 ZINC000017179592 221381216 /nfs/dbraw/zinc/38/12/16/221381216.db2.gz GCHKCOAUKVPGKC-UHFFFAOYSA-N 0 0 393.575 5.207 50 0 biogenic GKAARN CCOc1ccc2[nH]c(=NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2c1 ZINC000017162497 221381504 /nfs/dbraw/zinc/38/15/04/221381504.db2.gz WWFMKGHCECLFDH-UHFFFAOYSA-N 0 0 382.272 5.068 50 0 GKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc2cccnc21 ZINC000017367751 221383360 /nfs/dbraw/zinc/38/33/60/221383360.db2.gz VBGZPJPJFHNNEH-UHFFFAOYSA-N 0 0 379.872 5.572 50 0 GKAARN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000017312429 221383719 /nfs/dbraw/zinc/38/37/19/221383719.db2.gz JIBDICXRBKLWPY-AWEZNQCLSA-N 0 0 388.342 5.706 50 0 GKAARN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000017312427 221384147 /nfs/dbraw/zinc/38/41/47/221384147.db2.gz JIBDICXRBKLWPY-CQSZACIVSA-N 0 0 388.342 5.706 50 0 GKAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000016779317 221370920 /nfs/dbraw/zinc/37/09/20/221370920.db2.gz VHKXUAQZCQVHFV-KRWDZBQOSA-N 0 0 386.517 5.245 50 0 GKAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc(F)cc1C ZINC000016840408 221372404 /nfs/dbraw/zinc/37/24/04/221372404.db2.gz DNPVHHUQXINLEE-UHFFFAOYSA-N 0 0 384.867 5.467 50 0 GKAARN CCCCCCNc1nc2c(ccc3ccccc23)n1CC(=O)c1ccccc1 ZINC000016956608 221374361 /nfs/dbraw/zinc/37/43/61/221374361.db2.gz FFROXVFGOHIAHF-UHFFFAOYSA-N 0 0 385.511 6.065 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)Nc1c(F)cc(F)cc1Br ZINC000017076856 221375837 /nfs/dbraw/zinc/37/58/37/221375837.db2.gz XYQHORNUMVLTJS-UHFFFAOYSA-N 0 0 375.600 5.333 50 0 GKAARN Cc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042414 221375851 /nfs/dbraw/zinc/37/58/51/221375851.db2.gz RRNALGQEBZVCQS-UHFFFAOYSA-N 0 0 398.514 5.104 50 0 GKAARN FC(F)(F)c1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000017043515 221376861 /nfs/dbraw/zinc/37/68/61/221376861.db2.gz CXZJYPQWMRKRJC-UHFFFAOYSA-N 0 0 399.803 6.713 50 0 GKAARN Cc1cc(O[C@H](C)C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000017076892 221376952 /nfs/dbraw/zinc/37/69/52/221376952.db2.gz WPMAEQSUSQHVPH-HNKLIODVSA-N 0 0 375.940 5.137 50 0 GKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccc(C)cc3)n2)c1 ZINC000017078511 221377355 /nfs/dbraw/zinc/37/73/55/221377355.db2.gz ANXNFYHFSRZSJN-UHFFFAOYSA-N 0 0 384.479 5.591 50 0 GKAARN FC(F)(F)c1cc(-c2ccccc2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000017077529 221377705 /nfs/dbraw/zinc/37/77/05/221377705.db2.gz PIMMNBOITVGCKU-UHFFFAOYSA-N 0 0 379.385 5.984 50 0 GKAARN Cc1cc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3c(C)cccc23)nn1C ZINC000017078516 221377872 /nfs/dbraw/zinc/37/78/72/221377872.db2.gz BBIRZWXTSVNOOZ-UHFFFAOYSA-N 0 0 384.483 5.121 50 0 GKAARN Cc1cc(=O)oc2cc(NC(=S)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc12 ZINC000017080684 221378237 /nfs/dbraw/zinc/37/82/37/221378237.db2.gz XAOBDXYXISBOJD-OAHLLOKOSA-N 0 0 394.540 5.447 50 0 GKAARN O=C(Nc1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017080461 221378884 /nfs/dbraw/zinc/37/88/84/221378884.db2.gz FYKRQZIQTIMSMT-UHFFFAOYSA-N 0 0 393.590 5.765 50 0 GKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1c[nH]c2ccccc12 ZINC000018130541 221386877 /nfs/dbraw/zinc/38/68/77/221386877.db2.gz LAWVXGISHHGQIQ-UHFFFAOYSA-N 0 0 378.859 5.282 50 0 GKAARN CN1c2ccccc2C(C)(C)C1C=C1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000018102226 221386914 /nfs/dbraw/zinc/38/69/14/221386914.db2.gz LXESODDMDGIADW-OYADDEIPSA-N 0 0 396.490 5.031 50 0 GKAARN Cc1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1 ZINC000018083877 221387209 /nfs/dbraw/zinc/38/72/09/221387209.db2.gz DRRRBDZJENYUMP-KGENOOAVSA-N 0 0 388.854 5.288 50 0 GKAARN CCc1ccc(/N=c2\ssc3c2-c2ccc(OC)cc2NC3(C)C)cc1 ZINC000018096327 221387506 /nfs/dbraw/zinc/38/75/06/221387506.db2.gz HBDVJORAENLLBM-XDOYNYLZSA-N 0 0 382.554 5.941 50 0 GKAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000018194591 221389110 /nfs/dbraw/zinc/38/91/10/221389110.db2.gz GRDMGXIZVMMMLE-UHFFFAOYSA-N 0 0 384.262 5.406 50 0 GKAARN O=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1Cl ZINC000018156255 221389205 /nfs/dbraw/zinc/38/92/05/221389205.db2.gz HERUZYSMOFLUQD-ISVJADKWSA-N 0 0 379.931 6.207 50 0 GKAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)c3cc(C)oc3C)n2)c1 ZINC000018701494 221392987 /nfs/dbraw/zinc/39/29/87/221392987.db2.gz YZELQAUFIZSAOX-UHFFFAOYSA-N 0 0 386.473 5.070 50 0 GKAARN Cc1ccc(-c2nc(CC(=O)N(C)[C@@H]3CCCc4ccccc43)cs2)cc1 ZINC000019681387 221440567 /nfs/dbraw/zinc/44/05/67/221440567.db2.gz WAPMISYUSQLXJA-OAQYLSRUSA-N 0 0 376.525 5.197 50 0 GKAARN Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1 ZINC000019810511 221455921 /nfs/dbraw/zinc/45/59/21/221455921.db2.gz OVCZDPPECHJTPN-UHFFFAOYSA-N 0 0 395.915 5.841 50 0 GKAARN CCCCOc1cccc(NCc2cccc(OCCc3ccccc3)c2)c1 ZINC000019738353 221447971 /nfs/dbraw/zinc/44/79/71/221447971.db2.gz VOIQGDIFZQAPAX-UHFFFAOYSA-N 0 0 375.512 6.099 50 0 GKAARN COc1ccccc1[C@H](Nc1ccccn1)P(=O)(OC(C)C)OC(C)C ZINC000019873655 221460921 /nfs/dbraw/zinc/46/09/21/221460921.db2.gz YJBJKHQQXSQNOX-LJQANCHMSA-N 0 0 378.409 5.244 50 0 GKAARN Cc1ccc(/C=C/c2nn(-c3ccc(Cl)cc3)c3c2ccccc3=O)c(C)c1 ZINC000019909800 221463992 /nfs/dbraw/zinc/46/39/92/221463992.db2.gz IMPRREAHFYTDHI-NTEUORMPSA-N 0 0 386.882 5.826 50 0 GKAARN CC(C)CNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000020171871 221476297 /nfs/dbraw/zinc/47/62/97/221476297.db2.gz ZPGWKFYULUBBDD-UHFFFAOYSA-N 0 0 395.576 5.177 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)cc1 ZINC000020603713 221503677 /nfs/dbraw/zinc/50/36/77/221503677.db2.gz VEWLXNFLJAJYPT-UHFFFAOYSA-N 0 0 391.465 6.263 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020604586 221504167 /nfs/dbraw/zinc/50/41/67/221504167.db2.gz TWZLOOMPZGTLMY-UHFFFAOYSA-N 0 0 383.373 5.179 50 0 GKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3cccs3)cc(C(F)F)c12 ZINC000020615367 221505134 /nfs/dbraw/zinc/50/51/34/221505134.db2.gz QGCXHCOLSDAGIG-UHFFFAOYSA-N 0 0 379.457 5.235 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1C ZINC000020682708 221508937 /nfs/dbraw/zinc/50/89/37/221508937.db2.gz ZAQSDLCLJGEIDN-GEQKSPFYSA-N 0 0 386.539 6.073 50 0 GKAARN CN(C)c1ccnc2sc3c(ncnc3SCc3ccc(Cl)cc3)c21 ZINC000020813818 221512425 /nfs/dbraw/zinc/51/24/25/221512425.db2.gz RVXFERDBNJSQDX-UHFFFAOYSA-N 0 0 386.933 5.251 50 0 GKAARN Cc1ccccc1Cn1cccc1CNC(=O)Nc1ccccc1C(F)(F)F ZINC000020995860 221523647 /nfs/dbraw/zinc/52/36/47/221523647.db2.gz JQEQPQDFUAZECY-UHFFFAOYSA-N 0 0 387.405 5.185 50 0 GKAARN O=C(NCCn1c2ccccc2nc1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000021020488 221524823 /nfs/dbraw/zinc/52/48/23/221524823.db2.gz NZEMQFGAFKDMND-UHFFFAOYSA-N 0 0 390.874 5.178 50 0 GKAARN CSc1cccc(NC(=O)N2CCn3cccc3[C@H]2Cc2ccccc2)c1 ZINC000021051511 221524995 /nfs/dbraw/zinc/52/49/95/221524995.db2.gz ZXKPQLSSRHUBHD-OAQYLSRUSA-N 0 0 377.513 5.042 50 0 GKAARN COc1ccc(NC(=O)c2cc3cc4ccc(OC)c(Cl)c4nc3s2)cc1 ZINC000021087639 221526468 /nfs/dbraw/zinc/52/64/68/221526468.db2.gz DYXADJLTAPFRNU-UHFFFAOYSA-N 0 0 398.871 5.372 50 0 GKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(C)ccc1C)SCC(=O)N2 ZINC000020891869 221516411 /nfs/dbraw/zinc/51/64/11/221516411.db2.gz RPQAGAZKLCHYSM-FQEVSTJZSA-N 0 0 397.931 5.226 50 0 GKAARN C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000020896060 221517750 /nfs/dbraw/zinc/51/77/50/221517750.db2.gz IILINEVVDMPHCR-HNNXBMFYSA-N 0 0 380.513 5.321 50 0 GKAARN COc1cc(Br)cc(C)c1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000122480270 533489118 /nfs/dbraw/zinc/48/91/18/533489118.db2.gz XOZHPOFMKMYQTN-UHFFFAOYSA-N 0 0 397.272 5.080 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078427 132425873 /nfs/dbraw/zinc/42/58/73/132425873.db2.gz HQQQEGVCVAJGDB-UHFFFAOYSA-N 0 0 390.870 5.185 50 0 GKAARN CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000046078551 132426080 /nfs/dbraw/zinc/42/60/80/132426080.db2.gz NMCJIERVOPAHKM-UHFFFAOYSA-N 0 0 398.506 5.403 50 0 GKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(C)c4)ccc32)cc1 ZINC000046078534 132426096 /nfs/dbraw/zinc/42/60/96/132426096.db2.gz KPELELDUTDYDRG-UHFFFAOYSA-N 0 0 384.479 5.149 50 0 GKAARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000051649127 132439547 /nfs/dbraw/zinc/43/95/47/132439547.db2.gz KIZQUKCWYULVNF-JOCHJYFZSA-N 0 0 395.572 5.226 50 0 GKAARN Cc1ccc(CN2CCN(C(=O)Nc3cc(C)cc(C)c3)c3cccnc32)cc1 ZINC000064929588 136158216 /nfs/dbraw/zinc/15/82/16/136158216.db2.gz CVQZQUUIGPPPBW-UHFFFAOYSA-N 0 0 386.499 5.066 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccc(-c3cnc(N4CCCCC4)nc3)cc2)c1 ZINC000065025506 136158902 /nfs/dbraw/zinc/15/89/02/136158902.db2.gz JIAHMPACGKQJSU-UHFFFAOYSA-N 0 0 386.499 5.003 50 0 GKAARN Cc1ccccc1NC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000065029746 136158922 /nfs/dbraw/zinc/15/89/22/136158922.db2.gz VPCCISCQLNFFBA-UHFFFAOYSA-N 0 0 378.451 5.317 50 0 GKAARN CC(C)c1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 ZINC000065518683 136164147 /nfs/dbraw/zinc/16/41/47/136164147.db2.gz QFGHJWUVKUTYIT-UHFFFAOYSA-N 0 0 396.541 5.293 50 0 GKAARN Cc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cnn1-c1cccc(Cl)c1 ZINC000072274806 136167895 /nfs/dbraw/zinc/16/78/95/136167895.db2.gz VCJJJVGKFSBAEI-UHFFFAOYSA-N 0 0 394.906 5.077 50 0 GKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(CCc2ccccc2)c2ccccc21 ZINC000095115692 136177780 /nfs/dbraw/zinc/17/77/80/136177780.db2.gz VVOHQIIOHYQWPX-FNZWTVRRSA-N 0 0 384.523 5.622 50 0 GKAARN Clc1cccc2ccc(N3CCC[C@@H](c4nccn4CC4CCC4)C3)nc12 ZINC000095500150 136179858 /nfs/dbraw/zinc/17/98/58/136179858.db2.gz AXXVBUOLHJBYEI-GOSISDBHSA-N 0 0 380.923 5.269 50 0 GKAARN CSc1ccc2c(C)cc(N3CCC[C@H](c4nccn4C(C)C)C3)nc2c1 ZINC000095525608 136181415 /nfs/dbraw/zinc/18/14/15/136181415.db2.gz OHFFZHWKKYGSGM-KRWDZBQOSA-N 0 0 380.561 5.427 50 0 GKAARN Cc1ccccc1C(=O)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21 ZINC000102985995 136190594 /nfs/dbraw/zinc/19/05/94/136190594.db2.gz NIQKOFGPYDMLSJ-GMQQQROESA-N 0 0 386.539 5.848 50 0 GKAARN C[C@H]1CCCCN1c1nc(-c2ccccc2)nc2sc(-c3ccccc3)cc21 ZINC000001802729 136193266 /nfs/dbraw/zinc/19/32/66/136193266.db2.gz HFHXTLZXUYVZJC-KRWDZBQOSA-N 0 0 385.536 6.404 50 0 GKAARN Cc1cccc(-c2nc3ccccc3c(Nc3ccc(N4CCCCC4)cc3)n2)c1 ZINC000001775564 136193307 /nfs/dbraw/zinc/19/33/07/136193307.db2.gz WSUVYLYVSKLCRE-UHFFFAOYSA-N 0 0 394.522 6.339 50 0 GKAARN c1ccc(-c2nc3c(c(N4CCOCC4)n2)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000002288893 136193375 /nfs/dbraw/zinc/19/33/75/136193375.db2.gz TVPDNPCPJTYQJB-UHFFFAOYSA-N 0 0 397.522 5.015 50 0 GKAARN Cc1cccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)c1C ZINC000002123901 136193410 /nfs/dbraw/zinc/19/34/10/136193410.db2.gz VGDLYJBIGXMVIK-UHFFFAOYSA-N 0 0 397.474 5.742 50 0 biogenic GKAARN Cc1ccc(C(=O)N2c3c(C)cccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002344017 136193493 /nfs/dbraw/zinc/19/34/93/136193493.db2.gz CCWSQNHLYWLHCE-UHFFFAOYSA-N 0 0 397.590 6.718 50 0 GKAARN CCOc1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000003452670 136193670 /nfs/dbraw/zinc/19/36/70/136193670.db2.gz MWGZGCZIZYDWAM-UHFFFAOYSA-N 0 0 390.508 5.717 50 0 GKAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000006249374 136195071 /nfs/dbraw/zinc/19/50/71/136195071.db2.gz IYOQHOZCHDWMCE-UHFFFAOYSA-N 0 0 396.840 5.530 50 0 GKAARN COCc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)sc2cccc(F)c21 ZINC000008159416 136195406 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CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C\c1ccco1 ZINC000033339647 221790042 /nfs/dbraw/zinc/79/00/42/221790042.db2.gz BSRSQWSWYSEJPU-KHPPLWFESA-N 0 0 381.453 5.145 50 0 GKAARN O=C(/C=C\c1ccc(Br)o1)Nc1ccccc1Cc1ccccc1 ZINC000033502699 221792591 /nfs/dbraw/zinc/79/25/91/221792591.db2.gz VAEWURCMOBREOG-QBFSEMIESA-N 0 0 382.257 5.285 50 0 GKAARN COC(=O)c1c(NC(=O)/C=C\c2ccccc2Cl)scc1-c1ccccc1 ZINC000033455906 221792924 /nfs/dbraw/zinc/79/29/24/221792924.db2.gz QGLPDIHGOBMLPU-QXMHVHEDSA-N 0 0 397.883 5.507 50 0 GKAARN O=c1c2ccccc2nc(/C=C\c2ccsc2)n1-c1ccc(OC(F)F)cc1 ZINC000033530700 221793880 /nfs/dbraw/zinc/79/38/80/221793880.db2.gz ORJCAHQJVYKESY-YHYXMXQVSA-N 0 0 396.418 5.219 50 0 GKAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)C12CC3CC(CC(C3)C1)C2 ZINC000034913091 221809854 /nfs/dbraw/zinc/80/98/54/221809854.db2.gz QMLIGNDZPNVXQK-UHFFFAOYSA-N 0 0 385.511 5.080 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3ccccc3F)n2c1 ZINC000034913206 221810114 /nfs/dbraw/zinc/81/01/14/221810114.db2.gz 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ZINC000036114724 221845768 /nfs/dbraw/zinc/84/57/68/221845768.db2.gz KDVVQCXJYJWSSU-UHFFFAOYSA-N 0 0 392.524 5.144 50 0 GKAARN Cc1ccc([C@@H](C)N(c2cccc(C)c2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248627 221847728 /nfs/dbraw/zinc/84/77/28/221847728.db2.gz OPRYQJIFAVFBEK-GOSISDBHSA-N 0 0 383.488 5.399 50 0 GKAARN O=S(=O)(c1ccccc1F)N(Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000036247099 221848376 /nfs/dbraw/zinc/84/83/76/221848376.db2.gz JJEPACHNIBITDX-UHFFFAOYSA-N 0 0 393.842 5.014 50 0 GKAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)c1 ZINC000036620595 221862391 /nfs/dbraw/zinc/86/23/91/221862391.db2.gz VHEAHEIAWCBHNJ-KRWDZBQOSA-N 0 0 377.257 5.266 50 0 GKAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1F ZINC000036620465 221862763 /nfs/dbraw/zinc/86/27/63/221862763.db2.gz UHVQTBKVKBNUTQ-KRWDZBQOSA-N 0 0 377.257 5.266 50 0 GKAARN Cc1ccc(Oc2cc(C(C)(C)C)nc(SCc3ccc(F)cc3)n2)c(C)c1 ZINC000037509574 221871045 /nfs/dbraw/zinc/87/10/45/221871045.db2.gz XUMLTNQMHNPIAZ-UHFFFAOYSA-N 0 0 396.531 6.615 50 0 GKAARN Cc1cc2c(cc(C(=O)N(C)Cc3ccccc3)n2Cc2cccc(C)c2)s1 ZINC000037542027 221872625 /nfs/dbraw/zinc/87/26/25/221872625.db2.gz FNHXSZKZNYXKCD-UHFFFAOYSA-N 0 0 388.536 5.640 50 0 GKAARN Cc1cc2c(cc(C(=O)NCC3CC3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037541406 221872798 /nfs/dbraw/zinc/87/27/98/221872798.db2.gz VXUFFQXNKBVARQ-UHFFFAOYSA-N 0 0 380.557 5.497 50 0 GKAARN Clc1cccc(Oc2cc(N3CCC(Cc4ccccc4)CC3)ncn2)c1 ZINC000037623903 221874809 /nfs/dbraw/zinc/87/48/09/221874809.db2.gz FZAHNTYBNRKFQS-UHFFFAOYSA-N 0 0 379.891 5.381 50 0 GKAARN CC[C@@H](C)[C@H](NC(=O)CCSc1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000040146814 221913355 /nfs/dbraw/zinc/91/33/55/221913355.db2.gz HQEBATQZYYFKQX-VLIAUNLRSA-N 0 0 385.508 5.088 50 0 GKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2NCCc1ccccc1 ZINC000040216988 221916990 /nfs/dbraw/zinc/91/69/90/221916990.db2.gz YFIBLULIFDUPMP-UHFFFAOYSA-N 0 0 376.891 5.321 50 0 GKAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)Nc1ccc(F)cc1 ZINC000043220803 221948756 /nfs/dbraw/zinc/94/87/56/221948756.db2.gz PYXPCRFBCPIPQV-UHFFFAOYSA-N 0 0 390.867 5.384 50 0 GKAARN Clc1cccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)c1 ZINC000044087233 221951113 /nfs/dbraw/zinc/95/11/13/221951113.db2.gz XSIOMNFAGVDFJY-UHFFFAOYSA-N 0 0 376.912 6.485 50 0 GKAARN CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 ZINC000044087376 221951208 /nfs/dbraw/zinc/95/12/08/221951208.db2.gz CBBLYGQWTGANHI-UHFFFAOYSA-N 0 0 383.731 6.612 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Oc2ncccn2)c1 ZINC000056907117 222026178 /nfs/dbraw/zinc/02/61/78/222026178.db2.gz HNJSGWUHORNCJG-UHFFFAOYSA-N 0 0 393.752 5.193 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H]2c2cccn2C)c1 ZINC000057281184 222029367 /nfs/dbraw/zinc/02/93/67/222029367.db2.gz FHVSZSPDDLNBLU-DNQXCXABSA-N 0 0 387.527 5.159 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412665 222031321 /nfs/dbraw/zinc/03/13/21/222031321.db2.gz CZZQSSKZSKRDHQ-UHFFFAOYSA-N 0 0 390.668 5.053 50 0 GKAARN Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)ccc1Br ZINC000057412366 222031476 /nfs/dbraw/zinc/03/14/76/222031476.db2.gz QLXSQMWFSQRBHN-UHFFFAOYSA-N 0 0 390.668 5.053 50 0 GKAARN Cc1[nH]c(C(=O)Nc2ccccc2-c2ccccc2)c(C)c1C(=O)OC(C)C ZINC000057485495 222033582 /nfs/dbraw/zinc/03/35/82/222033582.db2.gz LXQWTYJHZMTNEZ-UHFFFAOYSA-N 0 0 376.456 5.116 50 0 GKAARN CN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000057451180 222033742 /nfs/dbraw/zinc/03/37/42/222033742.db2.gz NDGFOLBNHRUOLD-UHFFFAOYSA-N 0 0 381.785 5.041 50 0 GKAARN O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1cccc(Cl)c1 ZINC000045943290 221966346 /nfs/dbraw/zinc/96/63/46/221966346.db2.gz ZHDARMVLGPPRNH-UHFFFAOYSA-N 0 0 379.268 5.379 50 0 GKAARN Cc1ccc(-c2cc3c(SCc4ccc(F)cc4Cl)nccn3n2)cc1C ZINC000045925356 221966396 /nfs/dbraw/zinc/96/63/96/221966396.db2.gz XZMUNJUSKJVSQA-UHFFFAOYSA-N 0 0 397.906 6.098 50 0 GKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1C ZINC000045933028 221966494 /nfs/dbraw/zinc/96/64/94/221966494.db2.gz WVUIUWIRSLVIMZ-UHFFFAOYSA-N 0 0 392.568 5.610 50 0 GKAARN Cc1nn(C)c2nc(OCc3nc(-c4ccc(C(C)C)cc4)oc3C)cc(C)c12 ZINC000045995362 221967141 /nfs/dbraw/zinc/96/71/41/221967141.db2.gz ZLYUROJFAFFMTD-UHFFFAOYSA-N 0 0 390.487 5.251 50 0 GKAARN C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1nc(C2CC2)no1 ZINC000048354316 221990135 /nfs/dbraw/zinc/99/01/35/221990135.db2.gz CIOLJBDJYBYOTH-LBPRGKRZSA-N 0 0 385.493 5.157 50 0 GKAARN Cc1cccc(NC(=O)[C@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000048361887 221990358 /nfs/dbraw/zinc/99/03/58/221990358.db2.gz SGESIIDTEYOSBQ-INIZCTEOSA-N 0 0 397.490 6.123 50 0 GKAARN C[C@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000049580931 222001287 /nfs/dbraw/zinc/00/12/87/222001287.db2.gz BKWDFMXIEJIXNL-HNNXBMFYSA-N 0 0 389.886 5.094 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CCCCC1 ZINC000049983469 222002563 /nfs/dbraw/zinc/00/25/63/222002563.db2.gz FWJJNGOBRFOEHK-UHFFFAOYSA-N 0 0 392.524 5.550 50 0 GKAARN O=C(Nc1cccc(Br)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000051354378 222005156 /nfs/dbraw/zinc/00/51/56/222005156.db2.gz FRJBBVTXSRHMQD-UHFFFAOYSA-N 0 0 393.590 5.765 50 0 GKAARN Cc1nnc(S[C@H](C)c2nc3ccccc3n2C(F)F)n1Cc1ccccc1 ZINC000054517013 222013940 /nfs/dbraw/zinc/01/39/40/222013940.db2.gz XXJIPAKDEVPJSE-CYBMUJFWSA-N 0 0 399.470 5.233 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc(F)c2nc(N3CCCC3)ccc2c1 ZINC000065029680 222094459 /nfs/dbraw/zinc/09/44/59/222094459.db2.gz KIPHPVQCYASBHO-UHFFFAOYSA-N 0 0 384.842 5.272 50 0 GKAARN CCOc1c2cc(NC(=O)Nc3ccc(C)c(C)c3)ccc2sc1C(=O)OC ZINC000065022909 222094748 /nfs/dbraw/zinc/09/47/48/222094748.db2.gz BXKQKESZHQAKCJ-UHFFFAOYSA-N 0 0 398.484 5.347 50 0 GKAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)c1 ZINC000065005435 222095048 /nfs/dbraw/zinc/09/50/48/222095048.db2.gz DNVTXHQTQVCLNV-UHFFFAOYSA-N 0 0 389.386 5.293 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc1C ZINC000065036782 222096951 /nfs/dbraw/zinc/09/69/51/222096951.db2.gz OUAISASPZPEKTE-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000065063318 222097889 /nfs/dbraw/zinc/09/78/89/222097889.db2.gz QNJDRLSZGQALOH-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN CCCCN(CC)C(=O)c1ccc(Oc2ccnc(-c3ccc(C)cc3)n2)cc1 ZINC000065063230 222098024 /nfs/dbraw/zinc/09/80/24/222098024.db2.gz MJAFROLOKBZGDM-UHFFFAOYSA-N 0 0 389.499 5.507 50 0 GKAARN CCn1cc(-c2nc(C)c(C(=O)Nc3cccc(C)c3)s2)c2cccnc21 ZINC000065240874 222113802 /nfs/dbraw/zinc/11/38/02/222113802.db2.gz IXOSKLBRNYBNKC-UHFFFAOYSA-N 0 0 376.485 5.049 50 0 GKAARN CCOc1ccc(Cc2nc(-c3oc4ccc(C)cc4c3C)no2)cc1OCC ZINC000065097219 222100117 /nfs/dbraw/zinc/10/01/17/222100117.db2.gz RSGQZDDKSRVHCW-UHFFFAOYSA-N 0 0 392.455 5.488 50 0 GKAARN Cc1nc(C)c(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)s1 ZINC000065098242 222100208 /nfs/dbraw/zinc/10/02/08/222100208.db2.gz DHLVQTMORMWEGA-UHFFFAOYSA-N 0 0 380.498 5.478 50 0 GKAARN COc1ccc(/C=C/c2nc(-c3oc4ccc(C)cc4c3C)no2)cc1OC ZINC000065097189 222100403 /nfs/dbraw/zinc/10/04/03/222100403.db2.gz DDXZWIUUEAQGDP-JXMROGBWSA-N 0 0 376.412 5.287 50 0 GKAARN Cc1noc(C)c1C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC000065092491 222100676 /nfs/dbraw/zinc/10/06/76/222100676.db2.gz RYRFXSYDYHAOTM-UHFFFAOYSA-N 0 0 394.324 5.494 50 0 GKAARN CCc1nc(-c2cccc(-c3noc(-c4cc(OC)cc(OC)c4)n3)c2)cs1 ZINC000065098217 222101199 /nfs/dbraw/zinc/10/11/99/222101199.db2.gz FRRHNKSAWZDLMT-UHFFFAOYSA-N 0 0 393.468 5.107 50 0 GKAARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1cc(F)ccc1Cl ZINC000065149332 222103703 /nfs/dbraw/zinc/10/37/03/222103703.db2.gz YHCSNNXNZLOTOX-UHFFFAOYSA-N 0 0 379.844 5.275 50 0 GKAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1C ZINC000065153662 222105174 /nfs/dbraw/zinc/10/51/74/222105174.db2.gz PDQWKJATQCYRCG-UHFFFAOYSA-N 0 0 380.451 5.075 50 0 GKAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000065184741 222107283 /nfs/dbraw/zinc/10/72/83/222107283.db2.gz VYXPOKUBSJCIMH-UHFFFAOYSA-N 0 0 396.274 5.893 50 0 GKAARN O=C(Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccsc1 ZINC000065219159 222111384 /nfs/dbraw/zinc/11/13/84/222111384.db2.gz LNQWESQBVWXKHY-UHFFFAOYSA-N 0 0 387.873 5.432 50 0 GKAARN Cc1cccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000065219060 222111614 /nfs/dbraw/zinc/11/16/14/222111614.db2.gz HQYPCUCKTWKQBA-UHFFFAOYSA-N 0 0 379.416 5.165 50 0 GKAARN O=C(CCS[C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000057991681 222038062 /nfs/dbraw/zinc/03/80/62/222038062.db2.gz CGRPKZMVIHUPQV-QFIPXVFZSA-N 0 0 381.928 6.191 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1cccc(Br)c1 ZINC000058016090 222038241 /nfs/dbraw/zinc/03/82/41/222038241.db2.gz ZJRLHGOTYWSSFW-LBPRGKRZSA-N 0 0 398.753 5.671 50 0 GKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000058104705 222038727 /nfs/dbraw/zinc/03/87/27/222038727.db2.gz PUIGUNAYRBXDBY-CQSZACIVSA-N 0 0 396.874 5.046 50 0 GKAARN Cc1ccc(C)c(CN2CCCN(C(=S)Nc3ccc(C)c(Cl)c3)C2)c1 ZINC000058096681 222039815 /nfs/dbraw/zinc/03/98/15/222039815.db2.gz FITIKGRTMLEZOX-UHFFFAOYSA-N 0 0 387.980 5.127 50 0 GKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccccc1)CO2 ZINC000058088556 222040031 /nfs/dbraw/zinc/04/00/31/222040031.db2.gz CJFWNSPBVJTZBX-UHFFFAOYSA-N 0 0 383.447 5.121 50 0 biogenic GKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)SCc1cccc(Br)c1 ZINC000058082016 222040070 /nfs/dbraw/zinc/04/00/70/222040070.db2.gz WCEXVAFVRKXVSV-LBPRGKRZSA-N 0 0 398.753 5.671 50 0 GKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)c3ccc(Cl)nc3)n2)cc1 ZINC000065218975 222111977 /nfs/dbraw/zinc/11/19/77/222111977.db2.gz ZCNFFWCIYGDWSN-UHFFFAOYSA-N 0 0 396.859 5.074 50 0 GKAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000058152855 222040626 /nfs/dbraw/zinc/04/06/26/222040626.db2.gz ZFAOFQKNIQQMTI-UHFFFAOYSA-N 0 0 395.768 5.051 50 0 GKAARN C[C@@H](Cc1nc(-c2cccc(Br)c2)cs1)n1cc(Cl)cn1 ZINC000058157104 222041287 /nfs/dbraw/zinc/04/12/87/222041287.db2.gz TWOHBXFYNVVTHU-JTQLQIEISA-N 0 0 382.714 5.226 50 0 GKAARN CC(C)c1nc(CC(=O)N[C@H]2CCCc3nc(-c4ccccc4)sc32)cs1 ZINC000058137241 222041442 /nfs/dbraw/zinc/04/14/42/222041442.db2.gz AUIRUPCDJGMVJX-INIZCTEOSA-N 0 0 397.569 5.126 50 0 GKAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000058163270 222042404 /nfs/dbraw/zinc/04/24/04/222042404.db2.gz XQRZYCLHTWFUFS-UHFFFAOYSA-N 0 0 392.502 5.671 50 0 GKAARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(-c3ccsc3)c2)CC1 ZINC000058226532 222046877 /nfs/dbraw/zinc/04/68/77/222046877.db2.gz XKNVSVBLUNAQJH-UHFFFAOYSA-N 0 0 386.517 5.001 50 0 GKAARN FC(F)(F)c1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000058342040 222049228 /nfs/dbraw/zinc/04/92/28/222049228.db2.gz NPFBMTMUVKFCMF-OAHLLOKOSA-N 0 0 398.812 5.257 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000058377554 222051408 /nfs/dbraw/zinc/05/14/08/222051408.db2.gz ONKTYBAWUYCFTA-NRFANRHFSA-N 0 0 393.531 5.568 50 0 GKAARN Cc1ccc(NC(=O)c2cc(C)nc3cc(F)ccc32)c(OCC(F)(F)F)c1 ZINC000058423265 222052253 /nfs/dbraw/zinc/05/22/53/222052253.db2.gz PQGYFNQDOLTFFD-UHFFFAOYSA-N 0 0 392.352 5.184 50 0 GKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000058428203 222052354 /nfs/dbraw/zinc/05/23/54/222052354.db2.gz QWKBIUIEHQGFMY-UHFFFAOYSA-N 0 0 393.462 5.786 50 0 GKAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000058426691 222052379 /nfs/dbraw/zinc/05/23/79/222052379.db2.gz JBMOEOXQLUXTRL-UHFFFAOYSA-N 0 0 397.780 5.896 50 0 GKAARN CC(C)Cn1c(=O)c2ccccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000059094247 222055673 /nfs/dbraw/zinc/05/56/73/222055673.db2.gz BAOCCEBIZQUWLQ-UHFFFAOYSA-N 0 0 392.446 5.364 50 0 GKAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1cc2ccccc2[nH]1 ZINC000058901470 222056663 /nfs/dbraw/zinc/05/66/63/222056663.db2.gz WGVQBUVZNWPHKJ-UHFFFAOYSA-N 0 0 389.402 5.035 50 0 GKAARN C[C@@H](Cc1nc(-c2cc(Cl)sc2Cl)cs1)n1cc(Cl)cn1 ZINC000060332759 222059557 /nfs/dbraw/zinc/05/95/57/222059557.db2.gz AFKJLAYUKAZCEA-ZETCQYMHSA-N 0 0 378.737 5.832 50 0 GKAARN CC[C@H](C)Sc1ccc(NC(=O)c2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000060306436 222059807 /nfs/dbraw/zinc/05/98/07/222059807.db2.gz PVPYXQVTLGLMKA-JTQLQIEISA-N 0 0 389.389 6.127 50 0 GKAARN CNc1nc2c(s1)[C@@H](c1ccccc1OCc1ccc(F)cc1)CC(=O)N2 ZINC000061717874 222061008 /nfs/dbraw/zinc/06/10/08/222061008.db2.gz PGIQRAHVDSEVHM-OAHLLOKOSA-N 0 0 383.448 5.027 50 0 GKAARN Fc1cc(CNc2ncc(C(F)(F)F)cc2Cl)ccc1Oc1cccnc1 ZINC000063254830 222065412 /nfs/dbraw/zinc/06/54/12/222065412.db2.gz TYDUJLIJELUBFP-UHFFFAOYSA-N 0 0 397.759 5.692 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)N(Cc1ccco1)Cc1ccccn1 ZINC000062018088 222066015 /nfs/dbraw/zinc/06/60/15/222066015.db2.gz ZGEWUNTWMYULSR-UHFFFAOYSA-N 0 0 396.490 5.426 50 0 GKAARN Cc1ccc2nc(-c3cnn(C(C)C)c3)c(C)c(C(=O)N(C)CC(C)C)c2c1 ZINC000063848912 222069524 /nfs/dbraw/zinc/06/95/24/222069524.db2.gz OHHNQRCGCBYASZ-UHFFFAOYSA-N 0 0 378.520 5.024 50 0 GKAARN CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2cccc(F)c2)c(C)c1 ZINC000064470626 222070299 /nfs/dbraw/zinc/07/02/99/222070299.db2.gz MMUICRJXZZSUHC-UHFFFAOYSA-N 0 0 381.451 5.196 50 0 GKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(C)c(C)c5)n3n2)CCCC4)cc1 ZINC000064449935 222070761 /nfs/dbraw/zinc/07/07/61/222070761.db2.gz DQWFDXRQUICUKY-UHFFFAOYSA-N 0 0 397.526 5.263 50 0 GKAARN CC(C)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471829 222072579 /nfs/dbraw/zinc/07/25/79/222072579.db2.gz PDMBUQQHPVVVAV-UHFFFAOYSA-N 0 0 377.463 5.477 50 0 GKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccc(F)c(Cl)c1)N1CCCC1 ZINC000064471969 222072771 /nfs/dbraw/zinc/07/27/71/222072771.db2.gz ARGNWKRFTAZDIJ-UHFFFAOYSA-N 0 0 387.817 5.146 50 0 GKAARN Cc1cccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)c1 ZINC000064567947 222074676 /nfs/dbraw/zinc/07/46/76/222074676.db2.gz POFKEBKUMVENOE-UHFFFAOYSA-N 0 0 381.888 5.516 50 0 GKAARN Cc1ccccc1CNC(=O)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578565 222074793 /nfs/dbraw/zinc/07/47/93/222074793.db2.gz SZOAUHKXBSZXBD-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN COc1cccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000064578717 222075168 /nfs/dbraw/zinc/07/51/68/222075168.db2.gz YMKAWOVAWHMVIA-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN CN(Cc1ccccc1)C(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000064578758 222075268 /nfs/dbraw/zinc/07/52/68/222075268.db2.gz TWJMDJJYRRZWDY-UHFFFAOYSA-N 0 0 395.462 5.208 50 0 GKAARN CC1CCN(C(=O)c2cc(Nc3ccc(F)cc3F)c3ccccc3n2)CC1 ZINC000064568409 222075507 /nfs/dbraw/zinc/07/55/07/222075507.db2.gz YODAQLOAHIUCGH-UHFFFAOYSA-N 0 0 381.426 5.129 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCCC3)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000064568392 222075548 /nfs/dbraw/zinc/07/55/48/222075548.db2.gz GDELZETYDUXPDB-UHFFFAOYSA-N 0 0 379.891 5.485 50 0 GKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1cc(F)ccc1F ZINC000064611201 222076668 /nfs/dbraw/zinc/07/66/68/222076668.db2.gz NFCXMHZCGFLBGR-UHFFFAOYSA-N 0 0 382.345 5.063 50 0 GKAARN CCCCN(CC)C(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605852 222077022 /nfs/dbraw/zinc/07/70/22/222077022.db2.gz DZSSPPIDDLSGQR-UHFFFAOYSA-N 0 0 392.478 5.289 50 0 GKAARN CCCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669457 222077671 /nfs/dbraw/zinc/07/76/71/222077671.db2.gz NXMJPUAXMNMZKF-UHFFFAOYSA-N 0 0 395.478 5.594 50 0 GKAARN CCOc1ccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000064666289 222077971 /nfs/dbraw/zinc/07/79/71/222077971.db2.gz QCCCTBXWTGAREN-UHFFFAOYSA-N 0 0 378.453 5.013 50 0 GKAARN CN1c2ccc(-c3noc(C4CCCCC4)n3)cc2Sc2ccccc2C1=O ZINC000064666767 222078373 /nfs/dbraw/zinc/07/83/73/222078373.db2.gz FXIVEUCORVXTJW-UHFFFAOYSA-N 0 0 391.496 5.526 50 0 GKAARN Cc1cc(NC(=O)c2csc(-c3cccs3)n2)ccc1Br ZINC000064676402 222078900 /nfs/dbraw/zinc/07/89/00/222078900.db2.gz XDUNLDSLTJJZTB-UHFFFAOYSA-N 0 0 379.304 5.195 50 0 GKAARN O=C(Cc1csc2nc(-c3cccc(Cl)c3)cn12)Nc1ccc(F)cc1 ZINC000064676195 222079047 /nfs/dbraw/zinc/07/90/47/222079047.db2.gz LPLWZZUVQYYTSG-UHFFFAOYSA-N 0 0 385.851 5.037 50 0 GKAARN Cc1cc2nc(Nc3ccc(F)c(Cl)c3)c(C(=O)OC(C)C)nc2cc1C ZINC000064690627 222079099 /nfs/dbraw/zinc/07/90/99/222079099.db2.gz BVTIAHAPIIOONJ-UHFFFAOYSA-N 0 0 387.842 5.348 50 0 GKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1ccccc1Cl ZINC000064690490 222079165 /nfs/dbraw/zinc/07/91/65/222079165.db2.gz AQXVQRHPZPEXMW-UHFFFAOYSA-N 0 0 383.879 5.079 50 0 GKAARN CC(C)Cn1c(=O)c2sc3ncccc3c2nc1SCc1ccccc1F ZINC000064700313 222079202 /nfs/dbraw/zinc/07/92/02/222079202.db2.gz OCQGBSTWWFQLQR-UHFFFAOYSA-N 0 0 399.516 5.094 50 0 GKAARN Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4C)csc3n2)cc1C ZINC000064676287 222079244 /nfs/dbraw/zinc/07/92/44/222079244.db2.gz DXQVEUIYKKIKDJ-UHFFFAOYSA-N 0 0 393.487 5.308 50 0 GKAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)Nc3cccc(F)c3)n2)cc1 ZINC000064677198 222079274 /nfs/dbraw/zinc/07/92/74/222079274.db2.gz QYEYIEOPAIUIPQ-UHFFFAOYSA-N 0 0 391.471 5.365 50 0 GKAARN Cc1csc(-c2cc(NC(=O)c3ccc(Br)cc3)c(C)s2)n1 ZINC000064677939 222079410 /nfs/dbraw/zinc/07/94/10/222079410.db2.gz RJODBUUVINZVLV-UHFFFAOYSA-N 0 0 393.331 5.503 50 0 GKAARN COc1ccc(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)c(C)c1 ZINC000064677059 222079455 /nfs/dbraw/zinc/07/94/55/222079455.db2.gz HDWMHXXALJJPBM-UHFFFAOYSA-N 0 0 389.480 5.722 50 0 GKAARN Cc1cc(C)cc(NC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)c1 ZINC000064676266 222079532 /nfs/dbraw/zinc/07/95/32/222079532.db2.gz DMNHLBRIVAEXIQ-UHFFFAOYSA-N 0 0 389.524 5.478 50 0 GKAARN CCc1cccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC000064675565 222079659 /nfs/dbraw/zinc/07/96/59/222079659.db2.gz YFLLEXDAATXHRA-UHFFFAOYSA-N 0 0 387.458 5.274 50 0 GKAARN COc1ccc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)cc1Cl ZINC000064690576 222079722 /nfs/dbraw/zinc/07/97/22/222079722.db2.gz JNOIFPVAMMLJOZ-UHFFFAOYSA-N 0 0 399.878 5.217 50 0 GKAARN O=C(Cc1csc2nc(-c3cccc(Cl)c3)cn12)Nc1ccccc1F ZINC000064676191 222079771 /nfs/dbraw/zinc/07/97/71/222079771.db2.gz YAZQCFDFISMDNO-UHFFFAOYSA-N 0 0 385.851 5.037 50 0 GKAARN O=C(CCc1c(-c2ccccc2)nc2ccccn21)Nc1ccccc1Cl ZINC000064675808 222079779 /nfs/dbraw/zinc/07/97/79/222079779.db2.gz JOWRFXPLVKFJQT-UHFFFAOYSA-N 0 0 375.859 5.226 50 0 GKAARN CCc1ccccc1NC(=O)Cc1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000064676187 222079833 /nfs/dbraw/zinc/07/98/33/222079833.db2.gz DLRJYPVESQIOJU-UHFFFAOYSA-N 0 0 395.915 5.460 50 0 GKAARN O=C(Cc1csc2nc(-c3cccc(Cl)c3)cn12)NC1CCCCCC1 ZINC000064676184 222079846 /nfs/dbraw/zinc/07/98/46/222079846.db2.gz MNYYUIDJLOKQGI-UHFFFAOYSA-N 0 0 387.936 5.098 50 0 GKAARN CCc1ccccc1NC(=O)c1c(C)sc2ncnc(N3CCCCCC3)c21 ZINC000064758030 222080359 /nfs/dbraw/zinc/08/03/59/222080359.db2.gz YZIFIDIQIAVVQY-UHFFFAOYSA-N 0 0 394.544 5.195 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c(C)c1 ZINC000064747724 222080449 /nfs/dbraw/zinc/08/04/49/222080449.db2.gz NWTUQIXWNUYNGP-GOSISDBHSA-N 0 0 398.413 5.001 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c(C)c1 ZINC000064747725 222080865 /nfs/dbraw/zinc/08/08/65/222080865.db2.gz NWTUQIXWNUYNGP-SFHVURJKSA-N 0 0 398.413 5.001 50 0 GKAARN CC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000064820011 222083099 /nfs/dbraw/zinc/08/30/99/222083099.db2.gz KISUZYJNEHSCCA-UHFFFAOYSA-N 0 0 393.874 5.070 50 0 GKAARN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCc2ccc(SC)cc2)n1 ZINC000064835181 222083159 /nfs/dbraw/zinc/08/31/59/222083159.db2.gz RABLRNAYLQSJJV-UHFFFAOYSA-N 0 0 390.512 5.490 50 0 GKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1cc(C)ccc1C ZINC000064820131 222083875 /nfs/dbraw/zinc/08/38/75/222083875.db2.gz MGSAJFJBQJXVES-UHFFFAOYSA-N 0 0 391.290 5.343 50 0 GKAARN Clc1ccc(-c2noc3c2ncnc3NCCc2ccccc2Cl)cc1 ZINC000064835130 222084154 /nfs/dbraw/zinc/08/41/54/222084154.db2.gz YLZPRMQBYDHHLR-UHFFFAOYSA-N 0 0 385.254 5.246 50 0 GKAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000064847773 222085274 /nfs/dbraw/zinc/08/52/74/222085274.db2.gz HEDVAAXIEDOOJR-INIZCTEOSA-N 0 0 399.922 5.167 50 0 GKAARN O=C(NC1CCCCCC1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872355 222086715 /nfs/dbraw/zinc/08/67/15/222086715.db2.gz AHNXCMDPMSOJGQ-UHFFFAOYSA-N 0 0 382.504 5.798 50 0 GKAARN O=C(NCc1ccccc1Cl)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000064968465 222090648 /nfs/dbraw/zinc/09/06/48/222090648.db2.gz IKMZTSCAVDMLQI-UHFFFAOYSA-N 0 0 394.833 5.141 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968094 222091381 /nfs/dbraw/zinc/09/13/81/222091381.db2.gz 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CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)cc2)cc1 ZINC000085221236 222323065 /nfs/dbraw/zinc/32/30/65/222323065.db2.gz WMZJNUIUWYHJRV-UHFFFAOYSA-N 0 0 392.367 6.852 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2cccc(OC(C)C)c2)S1 ZINC000085411867 222323121 /nfs/dbraw/zinc/32/31/21/222323121.db2.gz LJSJAOSIJIJXDM-IBGZPJMESA-N 0 0 385.533 5.355 50 0 GKAARN Cc1ccc2ccc3cc(C(=O)N4CCC(Cc5ccccc5)CC4)[nH]c3c2n1 ZINC000085577726 222323585 /nfs/dbraw/zinc/32/35/85/222323585.db2.gz SNWYOGSGUPODHO-UHFFFAOYSA-N 0 0 383.495 5.119 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(F)cc2Cl)S1 ZINC000085411846 222323857 /nfs/dbraw/zinc/32/38/57/222323857.db2.gz LNZFCAFZMKFCML-MRXNPFEDSA-N 0 0 379.888 5.360 50 0 GKAARN O=C(Nc1cccc(-c2ccccc2)c1)c1ccnc(NCc2ccncc2)c1 ZINC000085392054 222324346 /nfs/dbraw/zinc/32/43/46/222324346.db2.gz UROSOFNXPNQNMP-UHFFFAOYSA-N 0 0 380.451 5.008 50 0 GKAARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000086056810 222324973 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CCSc1ccccc1C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077200188 222276615 /nfs/dbraw/zinc/27/66/15/222276615.db2.gz KYHXIPWUGJVVGP-ROUUACIJSA-N 0 0 398.528 5.088 50 0 GKAARN Cc1cc(C)cc(NC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1 ZINC000079019433 222300889 /nfs/dbraw/zinc/30/08/89/222300889.db2.gz DAROHBFEANPJFR-OAQYLSRUSA-N 0 0 392.478 5.592 50 0 GKAARN Cc1csc(-c2cccc(C(=O)N3CCCCC[C@H]3[C@@H]3CCCCC3=O)c2)n1 ZINC000079066586 222301675 /nfs/dbraw/zinc/30/16/75/222301675.db2.gz IOAPMQBSRXUZKE-PMACEKPBSA-N 0 0 396.556 5.263 50 0 GKAARN Cc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000079045754 222302032 /nfs/dbraw/zinc/30/20/32/222302032.db2.gz ALTMQDWNILNUAU-QFIPXVFZSA-N 0 0 391.490 5.211 50 0 GKAARN Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000080344316 222307128 /nfs/dbraw/zinc/30/71/28/222307128.db2.gz KHKRJTQBZQLJFF-ZIAGYGMSSA-N 0 0 377.296 5.654 50 0 GKAARN CCSc1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000082087348 222308878 /nfs/dbraw/zinc/30/88/78/222308878.db2.gz WYXBCJKLJLPIIG-UHFFFAOYSA-N 0 0 382.337 6.572 50 0 GKAARN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cccc2ncccc21)C1CC1 ZINC000084651816 222319476 /nfs/dbraw/zinc/31/94/76/222319476.db2.gz QDESVVIHZPIYEJ-AWEZNQCLSA-N 0 0 384.401 5.619 50 0 GKAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3Cc3ccsc3)cc2)c1 ZINC000095528933 222353694 /nfs/dbraw/zinc/35/36/94/222353694.db2.gz NQKNLMFWUPSSRA-QFIPXVFZSA-N 0 0 392.524 5.027 50 0 GKAARN CC(C)c1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1 ZINC000095561917 222355006 /nfs/dbraw/zinc/35/50/06/222355006.db2.gz HWOYIOLMBQSTQS-UHFFFAOYSA-N 0 0 389.480 5.027 50 0 in-vitro GKAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ncccc1OCc1ccncc1 ZINC000095947020 222362809 /nfs/dbraw/zinc/36/28/09/222362809.db2.gz LOAWQHLZLKZMQJ-UHFFFAOYSA-N 0 0 393.830 5.016 50 0 GKAARN O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc(F)cc1 ZINC000095957242 222363467 /nfs/dbraw/zinc/36/34/67/222363467.db2.gz AMJGQXLKLRZCQA-UHFFFAOYSA-N 0 0 378.186 5.539 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000095957860 222364129 /nfs/dbraw/zinc/36/41/29/222364129.db2.gz ROQSWMHZOSMGSZ-UHFFFAOYSA-N 0 0 399.731 5.109 50 0 GKAARN CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)s1 ZINC000095963945 222365568 /nfs/dbraw/zinc/36/55/68/222365568.db2.gz JZLKBURGCLEBLR-SNVBAGLBSA-N 0 0 393.559 5.213 50 0 GKAARN CCc1nn(C)c(Cl)c1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000095981673 222368251 /nfs/dbraw/zinc/36/82/51/222368251.db2.gz HGUCUZKVNUKGAK-UHFFFAOYSA-N 0 0 390.874 5.103 50 0 GKAARN Cc1cnc([C@@H](C)NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 ZINC000095995791 222368517 /nfs/dbraw/zinc/36/85/17/222368517.db2.gz XYGDJMMAFIJWFE-OAHLLOKOSA-N 0 0 386.536 5.094 50 0 GKAARN C[C@H](C(=O)N1CCC(CCCn2ccnc2)CC1)c1c(Cl)cccc1Cl ZINC000096008816 222371588 /nfs/dbraw/zinc/37/15/88/222371588.db2.gz GLCVVNWOVZHVCU-HNNXBMFYSA-N 0 0 394.346 5.012 50 0 GKAARN CCc1ccc(-n2cc(C(=O)OCc3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000096511655 222421871 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COC1CCN(c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000096104514 536757453 /nfs/dbraw/zinc/75/74/53/536757453.db2.gz MGNUDQVVAODULV-UHFFFAOYSA-N 0 0 381.520 5.243 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000004110301 560197022 /nfs/dbraw/zinc/19/70/22/560197022.db2.gz WYEHFWKAOXOVJD-UHFFFAOYSA-N 0 0 394.299 5.423 50 0 in-vitro GKAARN CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C ZINC000004655188 560199580 /nfs/dbraw/zinc/19/95/80/560199580.db2.gz IJFPVINAQGWBRJ-UHFFFAOYSA-N 0 0 390.564 6.433 50 0 biogenic,in-vitro GKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004683759 560199602 /nfs/dbraw/zinc/19/96/02/560199602.db2.gz QYIXCDOBOSTCEI-KKFSNPNRSA-N 0 0 388.680 7.469 50 0 in-vitro GKAARN Brc1ccc(-c2nn3c4c(c(-c5ccccc5)cn24)CCCC3)cc1 ZINC000000623067 570211083 /nfs/dbraw/zinc/21/10/83/570211083.db2.gz XFBUBJABLKRHEF-UHFFFAOYSA-N 0 0 392.300 5.569 50 0 GKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccccc1Cl ZINC000000625251 570211146 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CC[C@@H](CNc1ccc(OCCc2ccccc2)cc1)Oc1cccc(C)c1 ZINC000019738289 570211861 /nfs/dbraw/zinc/21/18/61/570211861.db2.gz JTBUXMVTFMGMRF-QHCPKHFHSA-N 0 0 375.512 5.886 50 0 GKAARN Cc1cc(C)n(-c2cc(Oc3cccc4ccccc43)nc(-c3ccccc3)n2)n1 ZINC000000632543 570212023 /nfs/dbraw/zinc/21/20/23/570212023.db2.gz QZMXWIOSKYJXQN-UHFFFAOYSA-N 0 0 392.462 5.892 50 0 GKAARN Clc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 ZINC000000631181 570212192 /nfs/dbraw/zinc/21/21/92/570212192.db2.gz ZJUKRSHFBZPEKF-JKSUJKDBSA-N 0 0 379.678 5.385 50 0 GKAARN COc1cc(OC)c2nc(C)c3c(c2c1)N(c1cccc(C(F)(F)F)c1)CC3 ZINC000000642434 570213573 /nfs/dbraw/zinc/21/35/73/570213573.db2.gz GNKJAMDQSUTPBH-UHFFFAOYSA-N 0 0 388.389 5.273 50 0 GKAARN CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cs1 ZINC000000650816 570214309 /nfs/dbraw/zinc/21/43/09/570214309.db2.gz SYVWGFHOCIKJBV-UHFFFAOYSA-N 0 0 377.531 5.070 50 0 GKAARN CCN(C(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc2c(c1)OCO2 ZINC000000648982 570214329 /nfs/dbraw/zinc/21/43/29/570214329.db2.gz 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Cc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1C ZINC000000682425 570217135 /nfs/dbraw/zinc/21/71/35/570217135.db2.gz ZQTWOLXADIZQCP-UHFFFAOYSA-N 0 0 383.083 5.081 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000000682251 570217139 /nfs/dbraw/zinc/21/71/39/570217139.db2.gz RUMHUHDAJYHFBY-UHFFFAOYSA-N 0 0 393.870 5.205 50 0 GKAARN C[C@H](C(=O)Nc1nc2ccccc2s1)c1cccc(C(=O)c2ccccc2)c1 ZINC000000682440 570217213 /nfs/dbraw/zinc/21/72/13/570217213.db2.gz JDUNNYCXFDHPCD-HNNXBMFYSA-N 0 0 386.476 5.270 50 0 GKAARN Cc1ccc(OC(=O)c2cc(Br)ccc2Br)c(C)c1 ZINC000000683251 570217461 /nfs/dbraw/zinc/21/74/61/570217461.db2.gz UTJMOFSCFAPBBW-UHFFFAOYSA-N 0 0 384.067 5.048 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1ccc(Br)cc1Br ZINC000000682956 570217481 /nfs/dbraw/zinc/21/74/81/570217481.db2.gz MPAZAEFDFDOOQX-UHFFFAOYSA-N 0 0 383.083 5.081 50 0 GKAARN Cc1ccc([C@@H]2c3ccccc3OC(c3ccccc3)=C2CN2CCOCC2)cc1 ZINC000019770567 570217779 /nfs/dbraw/zinc/21/77/79/570217779.db2.gz RYNRCKKXZWKYSH-AREMUKBSSA-N 0 0 397.518 5.263 50 0 GKAARN Cc1ccc(-c2nnc(Oc3ccc4ccc(=O)oc4c3)c3ccccc32)cc1C ZINC000000703656 570218565 /nfs/dbraw/zinc/21/85/65/570218565.db2.gz IOLBIXHBHNQEHS-UHFFFAOYSA-N 0 0 394.430 5.812 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1 ZINC000000702357 570218694 /nfs/dbraw/zinc/21/86/94/570218694.db2.gz VTPGIPOBCNQDGD-UHFFFAOYSA-N 0 0 395.509 5.446 50 0 GKAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc2c(c1)ncn2CCC ZINC000096180932 570218828 /nfs/dbraw/zinc/21/88/28/570218828.db2.gz KBOCFMYHSUIXTO-FQEVSTJZSA-N 0 0 379.508 5.237 50 0 GKAARN O=C(c1ccc(Cl)cc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304724 570219294 /nfs/dbraw/zinc/21/92/94/570219294.db2.gz DUEROGFXUMGRBK-UHFFFAOYSA-N 0 0 379.872 5.192 50 0 GKAARN CC[C@H](SC1=NCCS1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000000707670 570219413 /nfs/dbraw/zinc/21/94/13/570219413.db2.gz BNTQUPHENWOUKA-HNNXBMFYSA-N 0 0 386.567 5.431 50 0 GKAARN CC1(C)CCCC(COC(=O)c2ccccc2)=C1C[S@@](=O)c1ccccc1 ZINC000000719509 570220000 /nfs/dbraw/zinc/22/00/00/570220000.db2.gz 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/nfs/dbraw/zinc/22/11/62/570221162.db2.gz NXOZATRTYYPXPY-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN COc1ccccc1-c1nnc(SC/C=C/c2ccccc2)n1-c1ccccc1 ZINC000019810554 570221244 /nfs/dbraw/zinc/22/12/44/570221244.db2.gz AVTQBXJOKYXJCE-JLHYYAGUSA-N 0 0 399.519 5.748 50 0 GKAARN Cc1ccc(Nc2nnc(SCC34CC5CC(CC(C5)C3)C4)s2)c(C)c1 ZINC000006044242 570221348 /nfs/dbraw/zinc/22/13/48/570221348.db2.gz MCGYYZBKXAIKRZ-UHFFFAOYSA-N 0 0 385.602 6.207 50 0 GKAARN Cc1ccc(Sc2ccc(Nc3nc4cc(Cl)ccc4o3)cc2)cc1C ZINC000006044498 570221356 /nfs/dbraw/zinc/22/13/56/570221356.db2.gz ZMKZNIRETHWJCG-UHFFFAOYSA-N 0 0 380.900 6.993 50 0 GKAARN COc1ccccc1[C@H](NC(=O)c1cc(-c2ccccc2)oc1C)c1ccccc1 ZINC000019811691 570221269 /nfs/dbraw/zinc/22/12/69/570221269.db2.gz ZPWTUZLAUMPXCQ-RUZDIDTESA-N 0 0 397.474 5.783 50 0 GKAARN O=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000019809835 570221286 /nfs/dbraw/zinc/22/12/86/570221286.db2.gz BYKOXJONHJZHJR-UHFFFAOYSA-N 0 0 394.883 5.316 50 0 GKAARN Cc1cc(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2ccccc12 ZINC000006044159 570221438 /nfs/dbraw/zinc/22/14/38/570221438.db2.gz QGOZAFUVUJGJNK-UHFFFAOYSA-N 0 0 398.531 5.541 50 0 GKAARN Cc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000729582 570221600 /nfs/dbraw/zinc/22/16/00/570221600.db2.gz GTMXJDFFYHHFTI-FCHUYYIVSA-N 0 0 395.861 5.631 50 0 GKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C)cc4)cc3c2C)cc1 ZINC000015729469 570221819 /nfs/dbraw/zinc/22/18/19/570221819.db2.gz BHDXUWZVTKJZJZ-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc(F)c2)c(C(C)C)c1 ZINC000000752176 570222009 /nfs/dbraw/zinc/22/20/09/570222009.db2.gz LYONQPZDMOAHQP-UHFFFAOYSA-N 0 0 377.525 5.997 50 0 GKAARN COc1ccccc1C(=O)Nc1ccc2oc(C(=O)c3ccc(C)cc3)c(C)c2c1 ZINC000015729473 570222038 /nfs/dbraw/zinc/22/20/38/570222038.db2.gz QHDIYOBMVYYRHU-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN O=C(Nc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1)c1ccccc1 ZINC000048235951 570222054 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O=C(CSc1ccc(F)cc1)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000010527041 570225238 /nfs/dbraw/zinc/22/52/38/570225238.db2.gz SIMQDNINLNWEIT-UHFFFAOYSA-N 0 0 398.484 5.354 50 0 GKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000000817483 570225264 /nfs/dbraw/zinc/22/52/64/570225264.db2.gz ZRNBSQRFPVTFQL-UHFFFAOYSA-N 0 0 395.418 5.304 50 0 GKAARN Cc1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842188 570225346 /nfs/dbraw/zinc/22/53/46/570225346.db2.gz IIHVCYVBEBZSOS-UHFFFAOYSA-N 0 0 386.564 5.078 50 0 GKAARN COc1ccccc1Oc1coc2cc(OCc3ccc(F)cc3)ccc2c1=O ZINC000001448109 570225382 /nfs/dbraw/zinc/22/53/82/570225382.db2.gz VLKNCWRIXMKTGF-UHFFFAOYSA-N 0 0 392.382 5.312 50 0 GKAARN Cc1csc(-c2cc3ccc(OC(=O)c4ccccc4Cl)cc3oc2=O)n1 ZINC000001447828 570225752 /nfs/dbraw/zinc/22/57/52/570225752.db2.gz ABDZPBFWZTZLKA-UHFFFAOYSA-N 0 0 397.839 5.098 50 0 GKAARN COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000001447628 570225778 /nfs/dbraw/zinc/22/57/78/570225778.db2.gz 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ZINC000001043902 570237908 /nfs/dbraw/zinc/23/79/08/570237908.db2.gz HGFKSMIVKKLVMF-QFIPXVFZSA-N 0 0 377.465 5.464 50 0 GKAARN Cc1cc(Oc2nc3c(cc(Cl)cc3Cl)s2)c2cc(F)ccc2n1 ZINC000001042643 570237931 /nfs/dbraw/zinc/23/79/31/570237931.db2.gz FRLKRJXGAIKXKO-UHFFFAOYSA-N 0 0 379.243 6.391 50 0 GKAARN FC(F)(F)c1oc(-c2ccc(Cl)cc2)cc1-c1nnc(-c2ccco2)o1 ZINC000001043834 570237940 /nfs/dbraw/zinc/23/79/40/570237940.db2.gz OBWQUYSAROLHHX-UHFFFAOYSA-N 0 0 380.709 5.929 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001048103 570238597 /nfs/dbraw/zinc/23/85/97/570238597.db2.gz YJYPZMOPEIEPFQ-UHFFFAOYSA-N 0 0 395.768 5.966 50 0 GKAARN CC(C)OP(=O)(OC(C)C)[C@@H](NCc1ccccc1)c1ccccc1F ZINC000020081739 570238981 /nfs/dbraw/zinc/23/89/81/570238981.db2.gz GPIHOVQDGXNEIM-HXUWFJFHSA-N 0 0 379.412 5.657 50 0 GKAARN COc1ccc(-c2csc(NC(=O)c3cc(SC)ccc3Cl)n2)cc1 ZINC000006083592 570239292 /nfs/dbraw/zinc/23/92/92/570239292.db2.gz NJWGBUAUXKBFFX-UHFFFAOYSA-N 0 0 390.917 5.446 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)CSCc1ccc(Br)cc1 ZINC000001061520 570239543 /nfs/dbraw/zinc/23/95/43/570239543.db2.gz ITBLDGLQZZNGFO-UHFFFAOYSA-N 0 0 384.726 5.283 50 0 GKAARN COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000006085176 570239678 /nfs/dbraw/zinc/23/96/78/570239678.db2.gz QIODBVGVFFDMSE-VIFPVBQESA-N 0 0 390.213 5.094 50 0 GKAARN COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CCC2CCCC2)cc1 ZINC000023313609 570239748 /nfs/dbraw/zinc/23/97/48/570239748.db2.gz WWZDSTJDFDPOFE-UHFFFAOYSA-N 0 0 389.499 5.457 50 0 GKAARN COc1ccc2nc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)sc2c1 ZINC000001064361 570239849 /nfs/dbraw/zinc/23/98/49/570239849.db2.gz WGUPSJNMFKIBOI-UHFFFAOYSA-N 0 0 386.860 5.574 50 0 GKAARN O=C(COc1cccc(Oc2ccccc2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000001473184 570239979 /nfs/dbraw/zinc/23/99/79/570239979.db2.gz JYGOYGYFQNFJOI-UHFFFAOYSA-N 0 0 387.357 5.515 50 0 GKAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)sc2n1 ZINC000006275827 570240066 /nfs/dbraw/zinc/24/00/66/570240066.db2.gz MVPZLCWYMUXAEW-UHFFFAOYSA-N 0 0 397.834 5.002 50 0 GKAARN CCCCOc1cccc(OCCCC)c1NC[C@@H]1COc2ccccc2O1 ZINC000004819440 570240859 /nfs/dbraw/zinc/24/08/59/570240859.db2.gz IPROCNWAOQJZST-GOSISDBHSA-N 0 0 385.504 5.296 50 0 GKAARN COc1cccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000023315156 570240861 /nfs/dbraw/zinc/24/08/61/570240861.db2.gz JKGUSQHBMUNLID-UHFFFAOYSA-N 0 0 396.364 6.342 50 0 GKAARN Cc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)n2)cc1 ZINC000001079274 570241072 /nfs/dbraw/zinc/24/10/72/570241072.db2.gz HOYZFRGJYLESOC-UHFFFAOYSA-N 0 0 391.515 5.393 50 0 GKAARN Cc1cc(C)cc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000023315355 570241238 /nfs/dbraw/zinc/24/12/38/570241238.db2.gz CMADUHGORUEIHJ-UHFFFAOYSA-N 0 0 379.472 6.738 50 0 GKAARN Cc1cc(NCc2ccccc2COc2ccccc2)nc(-c2ccncc2)n1 ZINC000048354245 570241354 /nfs/dbraw/zinc/24/13/54/570241354.db2.gz YWCGHFUUNVPPMQ-UHFFFAOYSA-N 0 0 382.467 5.038 50 0 GKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccccc3Cl)cc12 ZINC000020113968 570241432 /nfs/dbraw/zinc/24/14/32/570241432.db2.gz CWLGFSRVLMUFJR-UHFFFAOYSA-N 0 0 393.918 5.685 50 0 GKAARN COc1ccc(-c2c3c(nc4c2CCc2ccccc2-4)-c2ccccc2CC3)cc1 ZINC000013282387 570241489 /nfs/dbraw/zinc/24/14/89/570241489.db2.gz ZOBJUQJIDUDLJB-UHFFFAOYSA-N 0 0 389.498 6.288 50 0 GKAARN O=C(c1oc2ccccc2c1-c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000001081965 570241555 /nfs/dbraw/zinc/24/15/55/570241555.db2.gz POOKVXMKWUPZRR-UHFFFAOYSA-N 0 0 398.849 6.170 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1cccc2c(Br)cccc12 ZINC000001088477 570241661 /nfs/dbraw/zinc/24/16/61/570241661.db2.gz KOZFKFKQOLQQMW-UHFFFAOYSA-N 0 0 390.664 5.517 50 0 GKAARN O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2)c1ccco1 ZINC000001104464 570241764 /nfs/dbraw/zinc/24/17/64/570241764.db2.gz KKLQCTDBRFBVAG-UHFFFAOYSA-N 0 0 380.469 5.115 50 0 GKAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)sc2c1 ZINC000001102618 570241795 /nfs/dbraw/zinc/24/17/95/570241795.db2.gz WAMBIOSVXWXKDC-UHFFFAOYSA-N 0 0 386.542 5.549 50 0 GKAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000023317687 570242097 /nfs/dbraw/zinc/24/20/97/570242097.db2.gz JZVPTRDAJSVXDU-UHFFFAOYSA-N 0 0 389.564 6.735 50 0 GKAARN O=C(NCC1(c2ccccc2)CCCC1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000001109489 570242269 /nfs/dbraw/zinc/24/22/69/570242269.db2.gz YTLLNAQKWBSCAW-UHFFFAOYSA-N 0 0 398.506 5.181 50 0 GKAARN Cc1ccccc1-c1nc(C(=O)NCc2ccccc2)cc2c3ccccc3[nH]c21 ZINC000006090664 570242381 /nfs/dbraw/zinc/24/23/81/570242381.db2.gz FJELYDHUDJGQDV-UHFFFAOYSA-N 0 0 391.474 5.622 50 0 biogenic GKAARN CC[C@H](Sc1nc2ccc(N)cc2s1)C(=O)Nc1ccc(Cl)cc1 ZINC000001111988 570242638 /nfs/dbraw/zinc/24/26/38/570242638.db2.gz QZKYWRCMOWLQEM-AWEZNQCLSA-N 0 0 377.922 5.041 50 0 GKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000001112930 570242748 /nfs/dbraw/zinc/24/27/48/570242748.db2.gz NWZZLJZRYPLBDS-NSHDSACASA-N 0 0 376.840 5.009 50 0 GKAARN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=S)Nc1c(C)cccc1C ZINC000063674240 570243136 /nfs/dbraw/zinc/24/31/36/570243136.db2.gz 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570245063 /nfs/dbraw/zinc/24/50/63/570245063.db2.gz HUQWSZUHZFSIKB-UHFFFAOYSA-N 0 0 389.455 5.186 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)Cc4cccc5ccccc54)c3)nc2c1 ZINC000001131040 570245446 /nfs/dbraw/zinc/24/54/46/570245446.db2.gz YLVQXFYYUXXKCD-UHFFFAOYSA-N 0 0 392.458 6.138 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)n1-c1ccccc1 ZINC000006109475 570245493 /nfs/dbraw/zinc/24/54/93/570245493.db2.gz QGFQLQLZHXSWFO-HZPDHXFCSA-N 0 0 394.544 5.209 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1Br ZINC000001130670 570245492 /nfs/dbraw/zinc/24/54/92/570245492.db2.gz CDHUMKKLFNSHMC-GFCCVEGCSA-N 0 0 391.334 5.089 50 0 GKAARN CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2ncnn21 ZINC000001131531 570245848 /nfs/dbraw/zinc/24/58/48/570245848.db2.gz YOHOXIAXOLRZCY-IRXDYDNUSA-N 0 0 389.286 5.130 50 0 GKAARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001131938 570245883 /nfs/dbraw/zinc/24/58/83/570245883.db2.gz SDGUWRXDDNSWOZ-GOSISDBHSA-N 0 0 377.509 5.693 50 0 GKAARN CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2ncnn21 ZINC000001131529 570245894 /nfs/dbraw/zinc/24/58/94/570245894.db2.gz YOHOXIAXOLRZCY-DLBZAZTESA-N 0 0 389.286 5.130 50 0 GKAARN O=C1C[C@H](c2ccccc2Cl)Cc2c1cnn2-c1nc2ccccc2s1 ZINC000001132603 570246259 /nfs/dbraw/zinc/24/62/59/570246259.db2.gz XLBRLXMENWKZMQ-GFCCVEGCSA-N 0 0 379.872 5.048 50 0 GKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)cc1 ZINC000020190531 570246463 /nfs/dbraw/zinc/24/64/63/570246463.db2.gz KJDHYQGHOSLWDS-UHFFFAOYSA-N 0 0 391.261 5.943 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(Br)c1 ZINC000001134505 570246782 /nfs/dbraw/zinc/24/67/82/570246782.db2.gz IPJAWLNWOZLGRQ-UHFFFAOYSA-N 0 0 391.117 5.487 50 0 GKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000001136892 570247400 /nfs/dbraw/zinc/24/74/00/570247400.db2.gz GBYPQKMCBCIRPZ-UHFFFAOYSA-N 0 0 396.874 5.249 50 0 GKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001141175 570247804 /nfs/dbraw/zinc/24/78/04/570247804.db2.gz WLLSJYUBIWGYCF-SECBINFHSA-N 0 0 378.177 5.418 50 0 GKAARN COC(=O)c1ccc(CSc2ncnc3sc(-c4ccccc4)cc32)o1 ZINC000006114552 570248556 /nfs/dbraw/zinc/24/85/56/570248556.db2.gz PSLAPUMOSOCECY-UHFFFAOYSA-N 0 0 382.466 5.030 50 0 GKAARN Cc1cc(C(=O)[C@H](C)Sc2ncnc3sccc32)c(C)n1Cc1ccco1 ZINC000006115622 570248716 /nfs/dbraw/zinc/24/87/16/570248716.db2.gz GLEACVJRNGEXQF-AWEZNQCLSA-N 0 0 397.525 5.114 50 0 GKAARN Cc1cc(C(=O)[C@@H](C)Sc2ncnc3sccc32)c(C)n1Cc1ccco1 ZINC000006115621 570248736 /nfs/dbraw/zinc/24/87/36/570248736.db2.gz GLEACVJRNGEXQF-CQSZACIVSA-N 0 0 397.525 5.114 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1)c1cccs1 ZINC000001149482 570248907 /nfs/dbraw/zinc/24/89/07/570248907.db2.gz OMSXLEPKCDLUBZ-UHFFFAOYSA-N 0 0 391.279 5.560 50 0 GKAARN Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000001154376 570249483 /nfs/dbraw/zinc/24/94/83/570249483.db2.gz KWHRJFHYFGEZOE-UHFFFAOYSA-N 0 0 394.371 5.129 50 0 GKAARN CCCc1ccc(Oc2c(=O)c3ccc(OC)cc3oc2C(F)(F)F)cc1 ZINC000001153515 570249508 /nfs/dbraw/zinc/24/95/08/570249508.db2.gz CFEABZDZKMOGNS-UHFFFAOYSA-N 0 0 378.346 5.565 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1 ZINC000085650242 570250047 /nfs/dbraw/zinc/25/00/47/570250047.db2.gz UVUJDBBBXPEFQV-DHZHZOJOSA-N 0 0 395.484 5.035 50 0 GKAARN COc1ccc([C@@H](C)N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000001156489 570250280 /nfs/dbraw/zinc/25/02/80/570250280.db2.gz CUHKVJHMNQLSMQ-GOSISDBHSA-N 0 0 389.495 5.055 50 0 GKAARN COc1ccc([C@H](C)N(C)C(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000001156488 570250296 /nfs/dbraw/zinc/25/02/96/570250296.db2.gz CUHKVJHMNQLSMQ-SFHVURJKSA-N 0 0 389.495 5.055 50 0 GKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1Cl ZINC000001158070 570250571 /nfs/dbraw/zinc/25/05/71/570250571.db2.gz FRPBCBGPSDMYLN-UHFFFAOYSA-N 0 0 393.693 5.478 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000001158330 570250963 /nfs/dbraw/zinc/25/09/63/570250963.db2.gz ZOJFAVWTRMATPZ-UHFFFAOYSA-N 0 0 376.239 5.823 50 0 GKAARN Cc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1Br ZINC000001158583 570250972 /nfs/dbraw/zinc/25/09/72/570250972.db2.gz SHGYBYKSVFHWOS-UHFFFAOYSA-N 0 0 380.694 5.878 50 0 GKAARN O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1cc2ccccc2o1 ZINC000012230235 570251003 /nfs/dbraw/zinc/25/10/03/570251003.db2.gz HWGKQEFTIBCKKB-UHFFFAOYSA-N 0 0 398.484 5.714 50 0 GKAARN COc1c(C(=O)N[C@H](C)c2ccc(Br)cc2)ccc2ccccc21 ZINC000001159427 570251205 /nfs/dbraw/zinc/25/12/05/570251205.db2.gz DETXTTHTFVZJOZ-CYBMUJFWSA-N 0 0 384.273 5.102 50 0 GKAARN Cc1cc(Br)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000001160432 570251815 /nfs/dbraw/zinc/25/18/15/570251815.db2.gz LZTJFDUWVHYLNH-UHFFFAOYSA-N 0 0 389.076 5.082 50 0 GKAARN CC(C)c1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000001162112 570252014 /nfs/dbraw/zinc/25/20/14/570252014.db2.gz ZGJJSJXCVGHXLP-UHFFFAOYSA-N 0 0 382.685 5.243 50 0 GKAARN CCCCc1noc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)n1 ZINC000012823222 570252038 /nfs/dbraw/zinc/25/20/38/570252038.db2.gz JRVWXYZKPZSGID-UHFFFAOYSA-N 0 0 398.966 5.335 50 0 GKAARN COc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000001161481 570252125 /nfs/dbraw/zinc/25/21/25/570252125.db2.gz AGOZLPBJWMWKHT-UHFFFAOYSA-N 0 0 395.069 5.326 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3)c3ccccc3n2)cc1 ZINC000001164531 570252415 /nfs/dbraw/zinc/25/24/15/570252415.db2.gz SCQPWOMWOXYCMA-UHFFFAOYSA-N 0 0 382.463 5.725 50 0 GKAARN CC(C)c1cc(I)ccc1NC(=O)c1ccccc1Cl ZINC000001163324 570252417 /nfs/dbraw/zinc/25/24/17/570252417.db2.gz IAUWXCWWCFZMGT-UHFFFAOYSA-N 0 0 399.659 5.320 50 0 GKAARN Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000020343628 570252741 /nfs/dbraw/zinc/25/27/41/570252741.db2.gz RMTXKMXYVWKNID-UHFFFAOYSA-N 0 0 377.753 5.661 50 0 GKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)C2CCCCC2)C2CCCCC2)c1C ZINC000085711359 570252837 /nfs/dbraw/zinc/25/28/37/570252837.db2.gz TUUVMTRJUUUERM-UHFFFAOYSA-N 0 0 388.552 5.050 50 0 GKAARN Cc1sc2nc(-c3ccccn3)nc(NCc3ccc[nH]3)c2c1-c1ccccc1 ZINC000072301771 570252844 /nfs/dbraw/zinc/25/28/44/570252844.db2.gz FPDBDYWUVRTTLI-UHFFFAOYSA-N 0 0 397.507 5.669 50 0 GKAARN Nc1ccc2nc(SCC(=O)n3c4ccccc4c4c3CCCC4)sc2c1 ZINC000001170428 570252937 /nfs/dbraw/zinc/25/29/37/570252937.db2.gz VZSIMICMFBCGAK-UHFFFAOYSA-N 0 0 393.537 5.145 50 0 GKAARN O=C(CSCc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000001170779 570252951 /nfs/dbraw/zinc/25/29/51/570252951.db2.gz HIZRMDQPJYGHAN-UHFFFAOYSA-N 0 0 390.533 5.835 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br ZINC000001170495 570253072 /nfs/dbraw/zinc/25/30/72/570253072.db2.gz LARGREIDRJEAEN-UHFFFAOYSA-N 0 0 389.076 5.407 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)CSCc1ccccc1Br ZINC000001170002 570253085 /nfs/dbraw/zinc/25/30/85/570253085.db2.gz AYVVEONDNYWECE-UHFFFAOYSA-N 0 0 384.726 5.283 50 0 GKAARN S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccc1Cl ZINC000001175616 570254084 /nfs/dbraw/zinc/25/40/84/570254084.db2.gz WFFCFEZOSVGLIF-UHFFFAOYSA-N 0 0 380.944 5.849 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000012824577 570254145 /nfs/dbraw/zinc/25/41/45/570254145.db2.gz CQTIOYXWVQUCBQ-UHFFFAOYSA-N 0 0 379.485 5.144 50 0 GKAARN Cc1ccc2cccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)c2n1 ZINC000020407919 570254630 /nfs/dbraw/zinc/25/46/30/570254630.db2.gz BGPXBETXYAMTQW-WYMLVPIESA-N 0 0 388.854 6.109 50 0 GKAARN CN(C)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000001179228 570254944 /nfs/dbraw/zinc/25/49/44/570254944.db2.gz YWKCRIPUJNAKJO-UHFFFAOYSA-N 0 0 389.282 5.230 50 0 GKAARN COc1cccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)c1 ZINC000048991721 570255476 /nfs/dbraw/zinc/25/54/76/570255476.db2.gz IOGSJXHJIMMLAC-UHFFFAOYSA-N 0 0 392.455 5.606 50 0 GKAARN CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNC(=O)c3cccs3)[C@@H]1CC2 ZINC000020436048 570255567 /nfs/dbraw/zinc/25/55/67/570255567.db2.gz YMWCSEMEDTZXQU-CAOCKLPOSA-N 0 0 395.612 6.312 50 0 GKAARN COc1ccc(OC)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 ZINC000001182746 570255890 /nfs/dbraw/zinc/25/58/90/570255890.db2.gz HMAVFTKBPUTVDU-OAQYLSRUSA-N 0 0 379.481 5.176 50 0 GKAARN COc1cc(SC)ccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001183203 570255898 /nfs/dbraw/zinc/25/58/98/570255898.db2.gz FGXUWMDEUBMOSX-UHFFFAOYSA-N 0 0 379.481 5.248 50 0 GKAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101620132 570256210 /nfs/dbraw/zinc/25/62/10/570256210.db2.gz BJPXAYFILLTVLH-PEISPCAHSA-N 0 0 393.486 5.238 50 0 GKAARN CC(=O)N1[C@H](c2cnc(-c3ccccc3)c(C)c2)CC=C(C)[C@H]1c1ccccc1 ZINC000001187291 570256577 /nfs/dbraw/zinc/25/65/77/570256577.db2.gz GYHREDZDIXWCRT-AHWVRZQESA-N 0 0 382.507 6.038 50 0 GKAARN COc1ccc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001186511 570256592 /nfs/dbraw/zinc/25/65/92/570256592.db2.gz FLVUIQLNMAHQQK-UHFFFAOYSA-N 0 0 386.476 5.738 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(C)c(F)c2)n1 ZINC000049005370 570257091 /nfs/dbraw/zinc/25/70/91/570257091.db2.gz HGQYQRMYEPGFRN-CQSZACIVSA-N 0 0 392.478 5.001 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(Cl)cc2)n1 ZINC000049005165 570257108 /nfs/dbraw/zinc/25/71/08/570257108.db2.gz KEZALGBGZPAGAL-HNNXBMFYSA-N 0 0 394.906 5.350 50 0 GKAARN CC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2)c1ccccc1 ZINC000001199882 570257413 /nfs/dbraw/zinc/25/74/13/570257413.db2.gz LMEONIJVZDOJFR-HZPDHXFCSA-N 0 0 398.572 5.130 50 0 GKAARN O=C(Cc1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000001202358 570257826 /nfs/dbraw/zinc/25/78/26/570257826.db2.gz PSIJUUAXAFRKBX-UHFFFAOYSA-N 0 0 397.261 5.983 50 0 GKAARN Cc1ccc2oc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3O)nc2c1 ZINC000001206410 570257870 /nfs/dbraw/zinc/25/78/70/570257870.db2.gz FRBPWFWGNMQNBF-UHFFFAOYSA-N 0 0 384.391 5.507 50 0 GKAARN O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001210869 570258112 /nfs/dbraw/zinc/25/81/12/570258112.db2.gz JSJDWSWBDHICIN-UHFFFAOYSA-N 0 0 399.277 5.176 50 0 GKAARN O=C(Nc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000001208996 570258114 /nfs/dbraw/zinc/25/81/14/570258114.db2.gz KKNJFFIJQYMFAF-UHFFFAOYSA-N 0 0 396.277 5.066 50 0 GKAARN CCc1ccc2oc(-c3cc(NC(=O)c4ccc(F)cc4)ccc3O)nc2c1 ZINC000001207991 570258171 /nfs/dbraw/zinc/25/81/71/570258171.db2.gz UOROYWRDMPMHOH-UHFFFAOYSA-N 0 0 376.387 5.154 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)oc2c1 ZINC000001209789 570258220 /nfs/dbraw/zinc/25/82/20/570258220.db2.gz TUJJOHOKFNHKLJ-UHFFFAOYSA-N 0 0 378.431 6.209 50 0 GKAARN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)c1 ZINC000001208493 570258244 /nfs/dbraw/zinc/25/82/44/570258244.db2.gz OMKJVGABZBDTMZ-UHFFFAOYSA-N 0 0 388.423 5.154 50 0 GKAARN CC(=O)Nc1cccc(Oc2nnc(-c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000001215940 570258602 /nfs/dbraw/zinc/25/86/02/570258602.db2.gz RQZRLQUQMMCHKU-UHFFFAOYSA-N 0 0 389.842 5.701 50 0 GKAARN O=C(COc1ccccc1)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000001216628 570258959 /nfs/dbraw/zinc/25/89/59/570258959.db2.gz YQZRBXZANXBHHV-UHFFFAOYSA-N 0 0 394.883 5.634 50 0 GKAARN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1 ZINC000001296082 570260424 /nfs/dbraw/zinc/26/04/24/570260424.db2.gz FSQKFCVEZTZXQZ-CLJLJLNGSA-N 0 0 393.571 5.507 50 0 biogenic GKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000023318720 570262169 /nfs/dbraw/zinc/26/21/69/570262169.db2.gz SLEMYLRSCZXTFQ-JOCHJYFZSA-N 0 0 378.422 5.453 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Br)cc1 ZINC000001408496 570262185 /nfs/dbraw/zinc/26/21/85/570262185.db2.gz RSRRJNFMJCTKNT-UHFFFAOYSA-N 0 0 393.712 5.345 50 0 GKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000001413926 570262409 /nfs/dbraw/zinc/26/24/09/570262409.db2.gz PHWSUPZSNJUTEJ-UHFFFAOYSA-N 0 0 386.451 5.763 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)oc2c1 ZINC000001413854 570262412 /nfs/dbraw/zinc/26/24/12/570262412.db2.gz JXZXEEPGMNSEJZ-UHFFFAOYSA-N 0 0 390.870 5.946 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3C)nc2c1 ZINC000001413855 570262417 /nfs/dbraw/zinc/26/24/17/570262417.db2.gz SFQQYMIHZVZSBZ-UHFFFAOYSA-N 0 0 390.870 5.946 50 0 GKAARN O=C(Nc1cccc(F)c1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023320215 570262606 /nfs/dbraw/zinc/26/26/06/570262606.db2.gz WRNYMSQDMUCOAY-NRFANRHFSA-N 0 0 380.850 5.659 50 0 GKAARN CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000023318268 570262847 /nfs/dbraw/zinc/26/28/47/570262847.db2.gz WZTXTTWIHRIGPX-HSZRJFAPSA-N 0 0 375.899 5.690 50 0 GKAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000001426181 570262890 /nfs/dbraw/zinc/26/28/90/570262890.db2.gz XILOLRXPUDTCOK-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc34)c2C1 ZINC000001438288 570263138 /nfs/dbraw/zinc/26/31/38/570263138.db2.gz RWOGBHFWFWHLPF-OAHLLOKOSA-N 0 0 391.492 5.512 50 0 GKAARN CCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000002284684 570263234 /nfs/dbraw/zinc/26/32/34/570263234.db2.gz DURZYRKPUIBFOO-UHFFFAOYSA-N 0 0 377.469 5.046 50 0 GKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000001448235 570263470 /nfs/dbraw/zinc/26/34/70/570263470.db2.gz SQTUIBOEOLSSPL-NRFANRHFSA-N 0 0 395.506 5.222 50 0 GKAARN Brc1ccc(-c2nn3c(-c4ccccc4)cn4c3c2CCCC4)cc1 ZINC000001515815 570264016 /nfs/dbraw/zinc/26/40/16/570264016.db2.gz FJHVTYVSBHXGMA-UHFFFAOYSA-N 0 0 392.300 5.569 50 0 GKAARN CCSc1ccc(C(=O)Nc2ccc(Sc3nccc(C)n3)cc2)cc1 ZINC000001501380 570264082 /nfs/dbraw/zinc/26/40/82/570264082.db2.gz GDVCRYZCQFNKJC-UHFFFAOYSA-N 0 0 381.526 5.301 50 0 GKAARN CC(=O)c1c(C)oc2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc21 ZINC000001507997 570264257 /nfs/dbraw/zinc/26/42/57/570264257.db2.gz AAZHYWXMXMVRBV-UHFFFAOYSA-N 0 0 385.419 6.281 50 0 GKAARN CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)CC1 ZINC000100003687 570264801 /nfs/dbraw/zinc/26/48/01/570264801.db2.gz WLPXTIALVPOMAH-SZPZYZBQSA-N 0 0 378.556 7.322 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(F)c1 ZINC000012851827 570266235 /nfs/dbraw/zinc/26/62/35/570266235.db2.gz RICOUAJWEXJHJJ-UHFFFAOYSA-N 0 0 390.867 5.004 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 ZINC000015821106 570266762 /nfs/dbraw/zinc/26/67/62/570266762.db2.gz XTPGYWIBIZWSKC-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100137223 570266931 /nfs/dbraw/zinc/26/69/31/570266931.db2.gz XLISFAFDRGVGFS-IQMFZBJNSA-N 0 0 390.870 6.562 50 0 GKAARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100137234 570266946 /nfs/dbraw/zinc/26/69/46/570266946.db2.gz XLISFAFDRGVGFS-WNSKOXEYSA-N 0 0 390.870 6.562 50 0 GKAARN C[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000013988059 570267392 /nfs/dbraw/zinc/26/73/92/570267392.db2.gz AAXGHKYSAGRWIE-QWRGUYRKSA-N 0 0 388.747 6.005 50 0 GKAARN O=C(CSc1nccn1C1CCCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000015825363 570267481 /nfs/dbraw/zinc/26/74/81/570267481.db2.gz WBQUYJANTMCBER-UHFFFAOYSA-N 0 0 383.439 5.138 50 0 GKAARN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000012859125 570267599 /nfs/dbraw/zinc/26/75/99/570267599.db2.gz CIFNKMDTKFCNJH-AWEZNQCLSA-N 0 0 383.344 5.311 50 0 GKAARN CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)cc1)OCC ZINC000001737461 570267645 /nfs/dbraw/zinc/26/76/45/570267645.db2.gz XTKQUBKFKSHRPS-UHFFFAOYSA-N 0 0 378.342 5.219 50 0 GKAARN CCc1cc2c(cc1OCc1ccc(Cl)cc1)oc(=O)cc2-c1ccccc1 ZINC000001797505 570268633 /nfs/dbraw/zinc/26/86/33/570268633.db2.gz AXTWHSDYVBVWFT-UHFFFAOYSA-N 0 0 390.866 6.255 50 0 GKAARN Cc1cc(OCc2ccc(C(C)(C)C)cc2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797554 570268636 /nfs/dbraw/zinc/26/86/36/570268636.db2.gz FCSDHTUHMPWQSN-UHFFFAOYSA-N 0 0 398.502 6.645 50 0 GKAARN Cc1cc(OCc2c(Cl)cccc2Cl)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001797639 570268662 /nfs/dbraw/zinc/26/86/62/570268662.db2.gz WMHUGMOUMUKXHH-UHFFFAOYSA-N 0 0 389.278 5.866 50 0 GKAARN O=C(c1ccccc1)c1ccccc1C(=O)N(c1ccccn1)C1CCCCC1 ZINC000001794653 570268663 /nfs/dbraw/zinc/26/86/63/570268663.db2.gz CKJYZLSWJLDBNT-UHFFFAOYSA-N 0 0 384.479 5.292 50 0 GKAARN O=C1c2ccccc2CC[C@H]1[C@H](Sc1ccccc1)c1ccc(Cl)cc1 ZINC000001799277 570268719 /nfs/dbraw/zinc/26/87/19/570268719.db2.gz JPMJZSGNHDDYPS-FYYLOGMGSA-N 0 0 378.924 6.619 50 0 GKAARN O=C1c2ccccc2CC[C@@H]1[C@@H](Sc1ccccc1)c1ccc(Cl)cc1 ZINC000001799270 570268778 /nfs/dbraw/zinc/26/87/78/570268778.db2.gz JPMJZSGNHDDYPS-GMAHTHKFSA-N 0 0 378.924 6.619 50 0 GKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000001821103 570268963 /nfs/dbraw/zinc/26/89/63/570268963.db2.gz LADRZUHFERQZBU-RUZDIDTESA-N 0 0 389.926 6.475 50 0 aggregator GKAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CC(C)C ZINC000001833271 570269289 /nfs/dbraw/zinc/26/92/89/570269289.db2.gz DCMFBIAFUUEKPT-UHFFFAOYSA-N 0 0 393.599 6.233 50 0 GKAARN CCc1ccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)cc1 ZINC000001843353 570269414 /nfs/dbraw/zinc/26/94/14/570269414.db2.gz LHZWZZGPXPZOPW-UHFFFAOYSA-N 0 0 382.554 6.167 50 0 GKAARN CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cc(OC)ccc1OC ZINC000001829423 570269417 /nfs/dbraw/zinc/26/94/17/570269417.db2.gz GZZZYZVMRMCPLQ-LJQANCHMSA-N 0 0 379.393 5.081 50 0 GKAARN Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(Cl)c(Cl)c2Cl)c1 ZINC000004541771 570270067 /nfs/dbraw/zinc/27/00/67/570270067.db2.gz 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/nfs/dbraw/zinc/27/04/66/570270466.db2.gz LPTKMJGILQOGTN-OWOJBTEDSA-N 0 0 378.082 6.314 50 0 GKAARN O=C(/C=C/c1sc2ccccc2c1Br)Nc1ccc(F)cc1F ZINC000004542798 570270497 /nfs/dbraw/zinc/27/04/97/570270497.db2.gz ULRBZQDULVDJAN-BQYQJAHWSA-N 0 0 394.240 5.594 50 0 GKAARN Fc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000020602876 570270599 /nfs/dbraw/zinc/27/05/99/570270599.db2.gz FFSVJJDRWZGTCL-UHFFFAOYSA-N 0 0 379.385 6.042 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccccc2OC)cc3C(F)F)cc1 ZINC000020603718 570270624 /nfs/dbraw/zinc/27/06/24/570270624.db2.gz NWBIPGFXMRHLIL-UHFFFAOYSA-N 0 0 395.409 5.351 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)Oc1cc(Cl)c(Cl)cc1Cl ZINC000002171714 570270714 /nfs/dbraw/zinc/27/07/14/570270714.db2.gz YKXGDIHZQVNMHI-UHFFFAOYSA-N 0 0 385.461 6.565 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c12 ZINC000020604253 570270881 /nfs/dbraw/zinc/27/08/81/570270881.db2.gz BGQVMWZQMSNGQM-UHFFFAOYSA-N 0 0 381.401 6.089 50 0 GKAARN 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ZINC000006140475 570276550 /nfs/dbraw/zinc/27/65/50/570276550.db2.gz OEWMVGVVHBHTSL-UHFFFAOYSA-N 0 0 385.492 5.124 50 0 GKAARN CCCCCc1ccc2c(c1)Cc1cc(OC(=O)c3ccc(CCC)cc3)ccc1-2 ZINC000002159182 570276618 /nfs/dbraw/zinc/27/66/18/570276618.db2.gz ZATJBTPLLQPSRD-UHFFFAOYSA-N 0 0 398.546 7.162 50 0 GKAARN COc1ccc(-c2c(C)c3c(n2C)[C@H](c2ccccc2)Oc2ccccc2-3)cc1 ZINC000002157738 570276621 /nfs/dbraw/zinc/27/66/21/570276621.db2.gz FAKMXFKPKGIGNS-SANMLTNESA-N 0 0 381.475 6.158 50 0 GKAARN CCCCCC(=O)Nc1ccccc1-c1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000002163049 570276626 /nfs/dbraw/zinc/27/66/26/570276626.db2.gz BHKJUMQQUIHHPZ-UHFFFAOYSA-N 0 0 391.515 6.220 50 0 GKAARN O=c1oc2ccccc2cc1-c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000002158252 570276730 /nfs/dbraw/zinc/27/67/30/570276730.db2.gz XFEGJGJPSNYNNN-UHFFFAOYSA-N 0 0 387.504 6.631 50 0 GKAARN Brc1cc(C2CCCCC2)cc(Br)c1-n1cccc1 ZINC000002161486 570276800 /nfs/dbraw/zinc/27/68/00/570276800.db2.gz ZTCTXSRFQRWAOK-UHFFFAOYSA-N 0 0 383.127 6.050 50 0 GKAARN Cc1c2cc3c(cc2o/c(=N\O)c1Cc1ccccc1)OC1(CCCCC1)CC3 ZINC000137488270 570276859 /nfs/dbraw/zinc/27/68/59/570276859.db2.gz DVEHCZNPJRIPFX-LCUIJRPUSA-N 0 0 389.495 5.650 50 0 GKAARN Cc1sc2nc(SCCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000002170605 570276886 /nfs/dbraw/zinc/27/68/86/570276886.db2.gz JPFBMMBFJAVUHB-UHFFFAOYSA-N 0 0 392.549 5.399 50 0 GKAARN CCCCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1 ZINC000002170726 570276896 /nfs/dbraw/zinc/27/68/96/570276896.db2.gz AEBWMLBWUNTSFW-UHFFFAOYSA-N 0 0 380.513 5.982 50 0 GKAARN C(=C/c1ccccc1)\CSc1nnc(SC/C=C/c2ccccc2)s1 ZINC000002171487 570276951 /nfs/dbraw/zinc/27/69/51/570276951.db2.gz NHXOMVFJTPLHEF-FNCQTZNRSA-N 0 0 382.579 6.149 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002171563 570276997 /nfs/dbraw/zinc/27/69/97/570276997.db2.gz RKKNAVNWHLXAQH-UHFFFAOYSA-N 0 0 385.529 5.353 50 0 GKAARN CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000002175282 570277265 /nfs/dbraw/zinc/27/72/65/570277265.db2.gz 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/nfs/dbraw/zinc/27/94/55/570279455.db2.gz MOYXATQMBACQMN-VWLOTQADSA-N 0 0 387.523 5.460 50 0 GKAARN O=C(/C=C/c1ccccc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000002217474 570279476 /nfs/dbraw/zinc/27/94/76/570279476.db2.gz JISUWXTUODWXAA-JLHYYAGUSA-N 0 0 397.421 6.548 50 0 aggregator GKAARN O=C(Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)c1ccccc1Cl ZINC000015863879 570279767 /nfs/dbraw/zinc/27/97/67/570279767.db2.gz WWVMVHIDYIKFDG-UHFFFAOYSA-N 0 0 375.859 5.254 50 0 GKAARN Clc1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)c(Cl)c1 ZINC000002233840 570280070 /nfs/dbraw/zinc/28/00/70/570280070.db2.gz BRZGUMQSQPPKII-UHFFFAOYSA-N 0 0 381.262 6.183 50 0 GKAARN COc1cccc(-n2c3c(c(=S)nc2-c2ccccc2)COC(C)(C)C3)c1 ZINC000002245074 570280112 /nfs/dbraw/zinc/28/01/12/570280112.db2.gz KJHXZCNCUAHHRS-UHFFFAOYSA-N 0 0 378.497 5.129 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015864992 570280182 /nfs/dbraw/zinc/28/01/82/570280182.db2.gz GGLDDMMPPDSZEC-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 ZINC000002236973 570280166 /nfs/dbraw/zinc/28/01/66/570280166.db2.gz KVIBNZQGVANEGC-UHFFFAOYSA-N 0 0 398.311 5.363 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Nc1ccc(F)cc1 ZINC000015864435 570280253 /nfs/dbraw/zinc/28/02/53/570280253.db2.gz YZSSBCXHQNQXGJ-UHFFFAOYSA-N 0 0 377.375 5.287 50 0 GKAARN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccccc32)cc1 ZINC000002250549 570280484 /nfs/dbraw/zinc/28/04/84/570280484.db2.gz IHVZPDLVIGKKEV-AREMUKBSSA-N 0 0 385.507 5.830 50 0 GKAARN CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCc2ccccc2)CO1 ZINC000002251813 570280498 /nfs/dbraw/zinc/28/04/98/570280498.db2.gz YMXHLLRUMAJSKQ-UHFFFAOYSA-N 0 0 376.525 5.374 50 0 GKAARN CCN1c2ccccc2[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O ZINC000101014525 570280526 /nfs/dbraw/zinc/28/05/26/570280526.db2.gz LCYUIISYNGYXSJ-GOSISDBHSA-N 0 0 385.385 5.658 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)c1sc3ccccc3c1Cl)C(C)(C)C[C@@H]2C ZINC000002269690 570280684 /nfs/dbraw/zinc/28/06/84/570280684.db2.gz JCYSFEDCTPZAII-AWEZNQCLSA-N 0 0 383.944 6.796 50 0 GKAARN Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(Cl)cc1)C(C)(C)N2 ZINC000002260890 570280731 /nfs/dbraw/zinc/28/07/31/570280731.db2.gz KBYCKJQJVJUHRW-QOCHGBHMSA-N 0 0 386.973 6.640 50 0 GKAARN Cc1ccc(Cl)cc1Nc1nc(Cl)nc(Nc2cc(Cl)ccc2C)n1 ZINC000002282401 570280910 /nfs/dbraw/zinc/28/09/10/570280910.db2.gz MNNNFUYXQRHDTP-UHFFFAOYSA-N 0 0 394.693 5.936 50 0 GKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1Cl ZINC000002272347 570280944 /nfs/dbraw/zinc/28/09/44/570280944.db2.gz SVAHPZDEXNFKFM-VWLOTQADSA-N 0 0 389.926 6.475 50 0 GKAARN Cc1cccc(-n2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2Cl)c1 ZINC000002274000 570280952 /nfs/dbraw/zinc/28/09/52/570280952.db2.gz SAJGZYLSPUFGDM-UHFFFAOYSA-N 0 0 381.262 5.668 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2Br)o1 ZINC000002280912 570280983 /nfs/dbraw/zinc/28/09/83/570280983.db2.gz JVOUWKWTKITHFJ-SFQUDFHCSA-N 0 0 394.224 5.054 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 ZINC000002272742 570281013 /nfs/dbraw/zinc/28/10/13/570281013.db2.gz LPCXNRMWINUHAZ-HXUWFJFHSA-N 0 0 393.284 5.529 50 0 GKAARN COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000002290008 570281255 /nfs/dbraw/zinc/28/12/55/570281255.db2.gz GMHJKLKSBBMHBE-FQEVSTJZSA-N 0 0 377.421 5.849 50 0 GKAARN CCOc1ccccc1C(=O)Nc1ccc(-c2ccc3cc(C)ccc3n2)cc1 ZINC000015868539 570281314 /nfs/dbraw/zinc/28/13/14/570281314.db2.gz APTWFUFPCBJJCC-UHFFFAOYSA-N 0 0 382.463 5.861 50 0 GKAARN COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000002291717 570281294 /nfs/dbraw/zinc/28/12/94/570281294.db2.gz NMMBZKSNBPEJIC-UHFFFAOYSA-N 0 0 390.280 6.340 50 0 GKAARN CCC(CC)C(=O)N1c2ccc(C)cc2-c2c(=S)ssc2C1(C)C ZINC000002292871 570281306 /nfs/dbraw/zinc/28/13/06/570281306.db2.gz NROSJIBJTYHMNC-UHFFFAOYSA-N 0 0 377.600 6.532 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)ccc2c1 ZINC000015868549 570281478 /nfs/dbraw/zinc/28/14/78/570281478.db2.gz 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O=C(Nc1ccccc1-c1ccccc1)c1ccc(COCC(F)(F)F)cc1 ZINC000012902531 570287911 /nfs/dbraw/zinc/28/79/11/570287911.db2.gz NAIFJEQNCRHIQV-UHFFFAOYSA-N 0 0 385.385 5.685 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012901268 570288200 /nfs/dbraw/zinc/28/82/00/570288200.db2.gz QOSHIWMWQKBOEK-KRWDZBQOSA-N 0 0 398.572 5.486 50 0 GKAARN CC(=O)C[C@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000102278065 570288275 /nfs/dbraw/zinc/28/82/75/570288275.db2.gz CEVXCHCMAWNTAB-FKRMPVFOSA-N 0 0 389.282 5.715 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 ZINC000012901199 570288316 /nfs/dbraw/zinc/28/83/16/570288316.db2.gz XSFPLAXYVXWUAR-MRXNPFEDSA-N 0 0 394.544 5.458 50 0 GKAARN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000072018524 570288354 /nfs/dbraw/zinc/28/83/54/570288354.db2.gz URYFYSPICCLMHT-OAHLLOKOSA-N 0 0 380.488 5.167 50 0 GKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000012900863 570288350 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O=C(NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1ccc2ccccc2c1 ZINC000023336517 570321410 /nfs/dbraw/zinc/32/14/10/570321410.db2.gz KYAJTKBZHIQCFV-DEOSSOPVSA-N 0 0 395.458 5.366 50 0 GKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(Cl)c1 ZINC000016285097 570321969 /nfs/dbraw/zinc/32/19/69/570321969.db2.gz BCSLQMAUGNUSGJ-HXUWFJFHSA-N 0 0 375.859 5.900 50 0 GKAARN COc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000002979392 570321979 /nfs/dbraw/zinc/32/19/79/570321979.db2.gz ITVFBQVBHPYCAF-UHFFFAOYSA-N 0 0 385.822 5.319 50 0 GKAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000022580886 570322100 /nfs/dbraw/zinc/32/21/00/570322100.db2.gz GPIOWTJESWGYAO-UHFFFAOYSA-N 0 0 376.504 5.037 50 0 GKAARN COc1ccc(C(=O)C[C@H](Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000016293164 570322297 /nfs/dbraw/zinc/32/22/97/570322297.db2.gz UFRHPZRRKOVGFO-QFIPXVFZSA-N 0 0 379.887 6.083 50 0 GKAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023383976 570322393 /nfs/dbraw/zinc/32/23/93/570322393.db2.gz 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c1ccc(COc2ccc(OCCn3c4ccccc4c4ccccc43)cc2)cc1 ZINC000002992922 570324283 /nfs/dbraw/zinc/32/42/83/570324283.db2.gz QBKJMBLRGRAXCK-UHFFFAOYSA-N 0 0 393.486 6.453 50 0 GKAARN COc1c(C)cc(-c2ccc3nc(-c4ccc5c(c4)OCCO5)oc3c2)cc1C ZINC000023447168 570324325 /nfs/dbraw/zinc/32/43/25/570324325.db2.gz JTTAVEPCGGSYLH-UHFFFAOYSA-N 0 0 387.435 5.558 50 0 GKAARN COc1ccc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)cc1OC ZINC000023446205 570324368 /nfs/dbraw/zinc/32/43/68/570324368.db2.gz FVMIGQWTTKWZFA-UHFFFAOYSA-N 0 0 389.451 5.804 50 0 GKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 ZINC000023446066 570324421 /nfs/dbraw/zinc/32/44/21/570324421.db2.gz LPTJTSDULLURLS-UHFFFAOYSA-N 0 0 398.437 5.816 50 0 GKAARN CN(Cc1cccc2ccccc21)C(=O)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000023446710 570324473 /nfs/dbraw/zinc/32/44/73/570324473.db2.gz PMIOJAVATHSROF-UHFFFAOYSA-N 0 0 393.458 6.119 50 0 GKAARN COc1ccc2ccccc2c1-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000023462262 570324481 /nfs/dbraw/zinc/32/44/81/570324481.db2.gz 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570324923 /nfs/dbraw/zinc/32/49/23/570324923.db2.gz OONLHBIUGVEMJT-UHFFFAOYSA-N 0 0 379.325 5.698 50 0 GKAARN C[C@@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002998877 570325117 /nfs/dbraw/zinc/32/51/17/570325117.db2.gz VKSTVABDPQFJCU-YCRPNKLZSA-N 0 0 396.412 5.908 50 0 GKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002999357 570325182 /nfs/dbraw/zinc/32/51/82/570325182.db2.gz LAAREVUJDJHRJF-UHFFFAOYSA-N 0 0 393.295 5.443 50 0 GKAARN Cc1nc2cc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc2s1 ZINC000001100394 570325257 /nfs/dbraw/zinc/32/52/57/570325257.db2.gz QLTOGGPJWZIDHO-UHFFFAOYSA-N 0 0 396.493 5.198 50 0 GKAARN CCc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccc(F)cc2)cc1 ZINC000002999916 570325459 /nfs/dbraw/zinc/32/54/59/570325459.db2.gz BOVLRXJWOVYTON-QGZVFWFLSA-N 0 0 393.527 6.171 50 0 GKAARN CCc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccc(F)cc2)cc1 ZINC000002999917 570325478 /nfs/dbraw/zinc/32/54/78/570325478.db2.gz BOVLRXJWOVYTON-KRWDZBQOSA-N 0 0 393.527 6.171 50 0 GKAARN CCCc1ccc(OCCNC(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000002999733 570325479 /nfs/dbraw/zinc/32/54/79/570325479.db2.gz PBFMAXLSNRHKHQ-VWLOTQADSA-N 0 0 387.523 5.161 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 ZINC000002999390 570325524 /nfs/dbraw/zinc/32/55/24/570325524.db2.gz VFOQHCQXMXKSGO-HXUWFJFHSA-N 0 0 383.278 5.760 50 0 GKAARN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000003003784 570325764 /nfs/dbraw/zinc/32/57/64/570325764.db2.gz RNOYFCGTPAQMFA-INIZCTEOSA-N 0 0 394.312 5.458 50 0 GKAARN COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c1 ZINC000003002416 570325815 /nfs/dbraw/zinc/32/58/15/570325815.db2.gz LJZCAXCXSCGWDW-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN CC(C)(C)c1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)[nH]1 ZINC000022748690 570325969 /nfs/dbraw/zinc/32/59/69/570325969.db2.gz JABPRVFUOFMQCD-UHFFFAOYSA-N 0 0 389.528 5.247 50 0 GKAARN CCCC(=O)N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl ZINC000003014751 570326104 /nfs/dbraw/zinc/32/61/04/570326104.db2.gz FYPGVBJIBQXFMB-NSHDSACASA-N 0 0 383.753 5.001 50 0 GKAARN O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(Cl)cc1 ZINC000003015568 570326116 /nfs/dbraw/zinc/32/61/16/570326116.db2.gz JTAOUHFTXYJTCL-UHFFFAOYSA-N 0 0 390.870 5.284 50 0 GKAARN C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 ZINC000023547581 570326175 /nfs/dbraw/zinc/32/61/75/570326175.db2.gz RBZIZBWYTXJODJ-AWEZNQCLSA-N 0 0 389.417 5.034 50 0 GKAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCc1c(F)cccc1Cl ZINC000007236305 570326596 /nfs/dbraw/zinc/32/65/96/570326596.db2.gz BVWKLIXQBMRVOA-UHFFFAOYSA-N 0 0 398.290 5.132 50 0 GKAARN Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccccc3)nc21 ZINC000007570574 570326689 /nfs/dbraw/zinc/32/66/89/570326689.db2.gz BECMANBXOGOEBL-BUHFOSPRSA-N 0 0 399.519 5.555 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccc(C)cc2)cs1 ZINC000003046396 570326817 /nfs/dbraw/zinc/32/68/17/570326817.db2.gz IUGFZTLUNHSATF-UHFFFAOYSA-N 0 0 384.863 6.541 50 0 GKAARN CCc1cccc(C)c1Nc1nc(N)c(C(=O)c2cc(C)c(C)cc2C)s1 ZINC000032947716 570327030 /nfs/dbraw/zinc/32/70/30/570327030.db2.gz LUVTVSIPNVAJRT-UHFFFAOYSA-N 0 0 379.529 5.496 50 0 GKAARN CC(C)CC(=O)N[C@@H](Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003051310 570327256 /nfs/dbraw/zinc/32/72/56/570327256.db2.gz IVVHHQMBVRFMOJ-LBPRGKRZSA-N 0 0 392.541 5.264 50 0 GKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000003058407 570327300 /nfs/dbraw/zinc/32/73/00/570327300.db2.gz OEUOSTAKBLJKCF-DEOSSOPVSA-N 0 0 383.535 6.173 50 0 GKAARN O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1cccc(Cl)c1Cl ZINC000003069932 570327667 /nfs/dbraw/zinc/32/76/67/570327667.db2.gz QPHDMIZLOLVXTN-UHFFFAOYSA-N 0 0 385.461 5.105 50 0 GKAARN O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCOc1ccc(Cl)cc1 ZINC000003073527 570327730 /nfs/dbraw/zinc/32/77/30/570327730.db2.gz QVWIMEQAEUDVPR-OVCLIPMQSA-N 0 0 377.871 5.215 50 0 biogenic GKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000003084276 570328086 /nfs/dbraw/zinc/32/80/86/570328086.db2.gz AAMXBAVOSQTODI-OAQYLSRUSA-N 0 0 389.926 6.210 50 0 GKAARN Clc1ccc(-c2cnn3c2nc(-c2cccnc2)c2c3CCCCCC2)cc1 ZINC000035324314 570328671 /nfs/dbraw/zinc/32/86/71/570328671.db2.gz XIGPZUFITXVLMU-UHFFFAOYSA-N 0 0 388.902 5.771 50 0 GKAARN Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NC(=O)C(C)C)c1 ZINC000034736917 570328678 /nfs/dbraw/zinc/32/86/78/570328678.db2.gz VPHXXHZWCRUQIX-UHFFFAOYSA-N 0 0 399.922 5.075 50 0 GKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1Cl ZINC000003108388 570328756 /nfs/dbraw/zinc/32/87/56/570328756.db2.gz JANBJHDCZBLKIB-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000003105391 570328785 /nfs/dbraw/zinc/32/87/85/570328785.db2.gz CUTDGXCFYSVLIV-UHFFFAOYSA-N 0 0 375.537 6.663 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003119308 570328953 /nfs/dbraw/zinc/32/89/53/570328953.db2.gz PUOLKTDJCCSJCH-UHFFFAOYSA-N 0 0 380.479 6.761 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCSC(C)(C)C ZINC000003120048 570329309 /nfs/dbraw/zinc/32/93/09/570329309.db2.gz PEQRYIUCFHBAIP-UHFFFAOYSA-N 0 0 387.332 5.218 50 0 GKAARN Cc1cccc(-c2cc(I)cc(-c3cccc(C)c3)c2)c1 ZINC000003123634 570329324 /nfs/dbraw/zinc/32/93/24/570329324.db2.gz ACLBRZHDFMBTNI-UHFFFAOYSA-N 0 0 384.260 6.242 50 0 GKAARN CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003119848 570329341 /nfs/dbraw/zinc/32/93/41/570329341.db2.gz RQCNZNSGTYUKEB-UHFFFAOYSA-N 0 0 391.462 5.973 50 0 GKAARN CCCCn1c(-c2ccc(Cl)cc2)nnc1-c1ccc(-c2ccccc2)cc1 ZINC000003124835 570329342 /nfs/dbraw/zinc/32/93/42/570329342.db2.gz YQEMMGCANFUTLH-UHFFFAOYSA-N 0 0 387.914 6.733 50 0 GKAARN c1csc(-c2ccc([C@@H]3CC(c4ccccc4)=NN3c3ccccc3)s2)c1 ZINC000004844137 570329475 /nfs/dbraw/zinc/32/94/75/570329475.db2.gz UFABTNDTYLLQFI-FQEVSTJZSA-N 0 0 386.545 6.832 50 0 GKAARN O=C(C[C@@H](c1ccsc1)n1cccc1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000524735760 570329605 /nfs/dbraw/zinc/32/96/05/570329605.db2.gz XGAQEIYQCIVROK-FQEVSTJZSA-N 0 0 397.931 5.023 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1 ZINC000003127582 570329668 /nfs/dbraw/zinc/32/96/68/570329668.db2.gz DXVKCLUXZVAXTD-UHFFFAOYSA-N 0 0 398.816 5.158 50 0 GKAARN O=C(Oc1cccc(-c2ccccc2)c1)c1ccc(/C=C/c2ccccc2)cc1 ZINC000003129709 570330130 /nfs/dbraw/zinc/33/01/30/570330130.db2.gz SVSLPBCDWYSZDB-CCEZHUSRSA-N 0 0 376.455 6.743 50 0 GKAARN O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1nc(Cl)cc(Cl)n1 ZINC000000787936 570330185 /nfs/dbraw/zinc/33/01/85/570330185.db2.gz IGWGDAKWTZYSRO-UHFFFAOYSA-N 0 0 383.182 5.039 50 0 GKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(F)ccc2Cl)cc1 ZINC000072332655 570330223 /nfs/dbraw/zinc/33/02/23/570330223.db2.gz LBVNYRKGLOLHGR-UNMCSNQZSA-N 0 0 396.824 5.861 50 0 GKAARN O=C(OCc1nnc(-c2ccccc2)o1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000022830031 570330240 /nfs/dbraw/zinc/33/02/40/570330240.db2.gz ZALWOYKALRAPHJ-UHFFFAOYSA-N 0 0 396.874 5.335 50 0 GKAARN CSc1cccc(Nc2nc(N)c(C(=O)c3cc(C)c(C)cc3C)s2)c1 ZINC000032947780 570330282 /nfs/dbraw/zinc/33/02/82/570330282.db2.gz OEOHSYJLIGKRLC-UHFFFAOYSA-N 0 0 383.542 5.347 50 0 GKAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003177929 570330457 /nfs/dbraw/zinc/33/04/57/570330457.db2.gz IPXXRFMRGHLHIT-UHFFFAOYSA-N 0 0 393.508 5.715 50 0 GKAARN COc1ccc(/C(=C(\c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000113041150 570330503 /nfs/dbraw/zinc/33/05/03/570330503.db2.gz SJCRDTOTGDVNJD-BYYHNAKLSA-N 0 0 392.498 6.711 50 0 GKAARN COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)Sc1ccc(Cl)cc1 ZINC000003138522 570330652 /nfs/dbraw/zinc/33/06/52/570330652.db2.gz DLZODCLGQYZMCL-OAHLLOKOSA-N 0 0 375.704 5.523 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)c1sc(Nc2ccc(Cl)cc2C)nc1N ZINC000032947973 570330744 /nfs/dbraw/zinc/33/07/44/570330744.db2.gz UOLIBYACBSCDMB-UHFFFAOYSA-N 0 0 396.903 5.451 50 0 GKAARN CCCCCCC(=O)N[C@@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000003147790 570331183 /nfs/dbraw/zinc/33/11/83/570331183.db2.gz GKHLUIWFRMLQLO-MRXNPFEDSA-N 0 0 379.759 5.498 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000003154682 570331232 /nfs/dbraw/zinc/33/12/32/570331232.db2.gz HDLVHQFLNDMXIX-UHFFFAOYSA-N 0 0 389.451 5.337 50 0 GKAARN O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000003148587 570331281 /nfs/dbraw/zinc/33/12/81/570331281.db2.gz USNJUUHHKPWGHO-UHFFFAOYSA-N 0 0 392.069 5.268 50 0 GKAARN O=C1O[C@@H](Nc2ccccc2SCc2ccccc2Cl)c2ccccc21 ZINC000003185778 570331721 /nfs/dbraw/zinc/33/17/21/570331721.db2.gz ZJOATHLJOLIESV-HXUWFJFHSA-N 0 0 381.884 5.913 50 0 GKAARN Cc1cc(Cl)ccc1Nc1nc(N)c(C(=O)c2cccc(Cl)c2)s1 ZINC000032948119 570331933 /nfs/dbraw/zinc/33/19/33/570331933.db2.gz NZZAARWPCBGNBR-UHFFFAOYSA-N 0 0 378.284 5.315 50 0 GKAARN COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2cccc(Cl)c2)s1 ZINC000032948098 570332117 /nfs/dbraw/zinc/33/21/17/570332117.db2.gz DCNNSXHSUNAVTN-UHFFFAOYSA-N 0 0 394.283 5.015 50 0 GKAARN Cc1ccc2c(c1)N[C@]1(c3ccccc3)c3ccc(C)cc3N[C@]21c1ccccc1 ZINC000003219833 570332894 /nfs/dbraw/zinc/33/28/94/570332894.db2.gz DAUGNHXGAFWCAK-VSGBNLITSA-N 0 0 388.514 6.342 50 0 GKAARN CCCCSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000032948320 570333341 /nfs/dbraw/zinc/33/33/41/570333341.db2.gz NVPKARNPPKZGBN-UHFFFAOYSA-N 0 0 383.951 5.050 50 0 GKAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1N1CCCCCC1 ZINC000022900443 570333349 /nfs/dbraw/zinc/33/33/49/570333349.db2.gz HILLNRHWGVMBTD-UHFFFAOYSA-N 0 0 395.528 5.273 50 0 GKAARN Cc1c(C(=O)N[C@H](C)c2ccc(Cl)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000022894494 570333364 /nfs/dbraw/zinc/33/33/64/570333364.db2.gz NHCVKOFPYIANPB-LLVKDONJSA-N 0 0 385.920 5.330 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2ccc(Cl)cc2)n[nH]c1C1CC1)c1ccccc1 ZINC000034794343 570336980 /nfs/dbraw/zinc/33/69/80/570336980.db2.gz GMOVEESRPIGKAJ-SFHVURJKSA-N 0 0 379.891 5.740 50 0 GKAARN CCCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1cccc(F)c1 ZINC000034795854 570337256 /nfs/dbraw/zinc/33/72/56/570337256.db2.gz WYEQEOAZJSQNTL-UHFFFAOYSA-N 0 0 379.479 5.718 50 0 GKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1cccc(F)c1 ZINC000034795553 570337321 /nfs/dbraw/zinc/33/73/21/570337321.db2.gz VNUUNQBKQDRWCS-UHFFFAOYSA-N 0 0 389.352 5.364 50 0 GKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034795756 570337480 /nfs/dbraw/zinc/33/74/80/570337480.db2.gz HKMJGMSUVJBENX-UHFFFAOYSA-N 0 0 381.907 5.842 50 0 GKAARN CC[C@H](C(=O)Nc1c(CC(C)C)[nH]nc1-c1ccc(OC)cc1)c1ccccc1 ZINC000034795936 570337876 /nfs/dbraw/zinc/33/78/76/570337876.db2.gz JCZBBVVVIYXSRT-FQEVSTJZSA-N 0 0 391.515 5.416 50 0 GKAARN CCc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1c(F)cccc1F ZINC000034796241 570337927 /nfs/dbraw/zinc/33/79/27/570337927.db2.gz MKXKPCCNWYQCIO-UHFFFAOYSA-N 0 0 395.331 5.188 50 0 GKAARN COc1cccc(-c2n[nH]c(C)c2NC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000034796708 570338202 /nfs/dbraw/zinc/33/82/02/570338202.db2.gz YKXKAXQTZLQOSC-UHFFFAOYSA-N 0 0 391.258 5.345 50 0 GKAARN CCCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(OC)cc1 ZINC000011691924 570339059 /nfs/dbraw/zinc/33/90/59/570339059.db2.gz HUIWBDYZIJYEPF-UHFFFAOYSA-N 0 0 376.452 6.256 50 0 GKAARN COc1ccc(-n2ccnc2SCc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000022968683 570339191 /nfs/dbraw/zinc/33/91/91/570339191.db2.gz OZPPNRPNKYGVIG-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907683 570339778 /nfs/dbraw/zinc/33/97/78/570339778.db2.gz BXFUPDGTYKKMOM-OAQYLSRUSA-N 0 0 386.426 5.611 50 0 GKAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907679 570339784 /nfs/dbraw/zinc/33/97/84/570339784.db2.gz FWUPUHXSIHBBFY-QHCPKHFHSA-N 0 0 396.490 5.791 50 0 GKAARN O=C(c1cccs1)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907752 570339831 /nfs/dbraw/zinc/33/98/31/570339831.db2.gz VLUSTZBOXZMTEF-SFHVURJKSA-N 0 0 392.455 5.673 50 0 GKAARN CCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907778 570339858 /nfs/dbraw/zinc/33/98/58/570339858.db2.gz QWSXCVYNLUPCNU-OAQYLSRUSA-N 0 0 394.490 6.268 50 0 GKAARN Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CCC(C)C)CC1=O ZINC000011692462 570339962 /nfs/dbraw/zinc/33/99/62/570339962.db2.gz OQJFPMYOCQQQAL-LJQANCHMSA-N 0 0 375.516 5.220 50 0 GKAARN CCCCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908651 570340086 /nfs/dbraw/zinc/34/00/86/570340086.db2.gz SAAYBCYGTOMIPC-IBGZPJMESA-N 0 0 399.441 5.420 50 0 GKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)C4CCCC4)nc3c2)ccc1F ZINC000034908071 570340093 /nfs/dbraw/zinc/34/00/93/570340093.db2.gz FMJARURZZUKQIQ-OAQYLSRUSA-N 0 0 392.474 5.796 50 0 GKAARN Cc1cc(-c2ccc3oc([C@@H]4CCCN4C(=O)CC(C)(C)C)nc3c2)ccc1F ZINC000034908060 570340096 /nfs/dbraw/zinc/34/00/96/570340096.db2.gz BBZCVMTXSJXWBD-FQEVSTJZSA-N 0 0 394.490 6.042 50 0 GKAARN O=C(Nc1ccccc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908505 570340102 /nfs/dbraw/zinc/34/01/02/570340102.db2.gz NQEYKDCWEIAIEB-OAQYLSRUSA-N 0 0 383.451 5.864 50 0 GKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)CC(C)(C)C)nc2c1 ZINC000034908422 570340107 /nfs/dbraw/zinc/34/01/07/570340107.db2.gz RLHKLCWGYOLWRJ-LJQANCHMSA-N 0 0 392.499 5.603 50 0 GKAARN O=C(C1CCC1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908129 570340128 /nfs/dbraw/zinc/34/01/28/570340128.db2.gz YLAQLVKYUHZDEV-LJQANCHMSA-N 0 0 382.410 5.237 50 0 GKAARN Brc1ccc2nc(NCc3cccnc3)nc(-c3ccccc3)c2c1 ZINC000011692713 570340236 /nfs/dbraw/zinc/34/02/36/570340236.db2.gz YNNAVGPITHSKRH-UHFFFAOYSA-N 0 0 391.272 5.066 50 0 GKAARN CCCCS(=O)(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034909064 570340348 /nfs/dbraw/zinc/34/03/48/570340348.db2.gz WFFQGQUCYTVPOP-HXUWFJFHSA-N 0 0 398.528 5.070 50 0 GKAARN CCCCNC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(C)c3)ccc2o1 ZINC000034908680 570340440 /nfs/dbraw/zinc/34/04/40/570340440.db2.gz GOYZWWPILNKSLK-HXUWFJFHSA-N 0 0 395.478 5.589 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000003334120 570340523 /nfs/dbraw/zinc/34/05/23/570340523.db2.gz POOYMBKHHWNHGE-UHFFFAOYSA-N 0 0 397.550 5.428 50 0 GKAARN CCCCNC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908710 570340547 /nfs/dbraw/zinc/34/05/47/570340547.db2.gz UBQITVVFKTUTMP-LJQANCHMSA-N 0 0 399.441 5.420 50 0 GKAARN Cc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)nc2-c2ccccc2)c1 ZINC000034910965 570340819 /nfs/dbraw/zinc/34/08/19/570340819.db2.gz SOACMLZKQXAKPH-UHFFFAOYSA-N 0 0 396.494 5.618 50 0 GKAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2Cc2ccccc2)cc1 ZINC000034911140 570340902 /nfs/dbraw/zinc/34/09/02/570340902.db2.gz YQXMEGAZGLCVFL-UHFFFAOYSA-N 0 0 396.494 5.036 50 0 GKAARN Cc1ccc2nc(C(=O)Nc3ccc(Cl)cc3)cc(N3CCCCC3)c2c1 ZINC000035526441 570341366 /nfs/dbraw/zinc/34/13/66/570341366.db2.gz AYJIMUASIVHLSN-UHFFFAOYSA-N 0 0 379.891 5.439 50 0 GKAARN CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1cc(C)c2ccc(OC)cc2n1 ZINC000006205431 570341436 /nfs/dbraw/zinc/34/14/36/570341436.db2.gz ZTVONKCHQMFADI-KRWDZBQOSA-N 0 0 394.540 5.081 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1ccc(SCc2cscn2)cc1 ZINC000023043201 570341662 /nfs/dbraw/zinc/34/16/62/570341662.db2.gz ATJUHRDZPDFCNQ-UHFFFAOYSA-N 0 0 382.554 5.813 50 0 GKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1cc(-c2ccco2)on1 ZINC000026558873 570341919 /nfs/dbraw/zinc/34/19/19/570341919.db2.gz XWIZAJHIFQHBCH-UHFFFAOYSA-N 0 0 380.787 5.633 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3cnc(Cl)c(Cl)c3)n2)cc1C ZINC000006216478 570342724 /nfs/dbraw/zinc/34/27/24/570342724.db2.gz ZEVWQLSPPKPTIP-UHFFFAOYSA-N 0 0 378.284 5.381 50 0 GKAARN Cc1cccc(C)c1Oc1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F ZINC000006217754 570342731 /nfs/dbraw/zinc/34/27/31/570342731.db2.gz ZSLGBBHGXQPGQB-UHFFFAOYSA-N 0 0 387.188 6.365 50 0 GKAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000006219536 570342996 /nfs/dbraw/zinc/34/29/96/570342996.db2.gz CHGMVSMLBCHVQM-UHFFFAOYSA-N 0 0 384.329 5.359 50 0 GKAARN Cc1csc(N(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)n1 ZINC000006219740 570343093 /nfs/dbraw/zinc/34/30/93/570343093.db2.gz COWQQEHCGAVQSP-UHFFFAOYSA-N 0 0 384.504 5.948 50 0 GKAARN O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc(Cl)cc1 ZINC000000801897 570343125 /nfs/dbraw/zinc/34/31/25/570343125.db2.gz VQIGHIBFXQIMOG-UHFFFAOYSA-N 0 0 385.901 5.086 50 0 GKAARN CCCCN(C(=O)c1csc(-c2cccc(OC)c2OC)n1)c1ccccc1 ZINC000023076424 570343162 /nfs/dbraw/zinc/34/31/62/570343162.db2.gz WDOFOEGGPRZGJE-UHFFFAOYSA-N 0 0 396.512 5.274 50 0 GKAARN Cc1ccccc1OC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12 ZINC000006218446 570343305 /nfs/dbraw/zinc/34/33/05/570343305.db2.gz TWFKDEJOOVIOFZ-UHFFFAOYSA-N 0 0 387.866 6.391 50 0 GKAARN CCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)cc1-c1ccc(Cl)s1 ZINC000034901082 570343589 /nfs/dbraw/zinc/34/35/89/570343589.db2.gz DFMVCOLKLLDHKT-OAHLLOKOSA-N 0 0 385.920 5.092 50 0 GKAARN CCn1nc(C(=O)N[C@@H](C)c2ccccc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901448 570343600 /nfs/dbraw/zinc/34/36/00/570343600.db2.gz KUHNSJBFHORNLQ-AWEZNQCLSA-N 0 0 387.405 5.080 50 0 GKAARN CCn1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1-c1cccc(OC)c1 ZINC000034901389 570343668 /nfs/dbraw/zinc/34/36/68/570343668.db2.gz VEBXVAAHTLAVFA-UHFFFAOYSA-N 0 0 390.270 5.138 50 0 GKAARN O=C(NCc1ccccc1Cl)c1ccc(OCc2ccccc2)cc1Cl ZINC000006223254 570343699 /nfs/dbraw/zinc/34/36/99/570343699.db2.gz VSIJVJPWAGYIAX-UHFFFAOYSA-N 0 0 386.278 5.502 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034914948 570343829 /nfs/dbraw/zinc/34/38/29/570343829.db2.gz ZMHHVRDEIJZDNP-OAHLLOKOSA-N 0 0 399.485 5.989 50 0 GKAARN Cc1ccc(C(=O)Nc2c(-c3cccc(F)c3F)nc3cc(C)ccn32)cc1 ZINC000034914946 570343888 /nfs/dbraw/zinc/34/38/88/570343888.db2.gz DIIIQJVIGOVEOC-UHFFFAOYSA-N 0 0 377.394 5.149 50 0 GKAARN CC(C)C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000023100120 570343942 /nfs/dbraw/zinc/34/39/42/570343942.db2.gz JQJMOSOQMHYMDH-LJQANCHMSA-N 0 0 398.453 5.456 50 0 GKAARN C[C@H](CC(=O)Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21)CC(C)(C)C ZINC000034914911 570344072 /nfs/dbraw/zinc/34/40/72/570344072.db2.gz OVUVZOWZZGYHKY-CQSZACIVSA-N 0 0 385.458 5.680 50 0 GKAARN Cc1ccc(NC(=O)Nc2c(-c3cc(C)cc(C)c3)nc3cc(C)ccn32)cc1 ZINC000034915139 570344244 /nfs/dbraw/zinc/34/42/44/570344244.db2.gz SATYXZHQHPHSQF-UHFFFAOYSA-N 0 0 384.483 5.879 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)CCC1CCCC1 ZINC000034915059 570344263 /nfs/dbraw/zinc/34/42/63/570344263.db2.gz CUHPLWQUAKTKNK-UHFFFAOYSA-N 0 0 375.516 5.835 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)Nc1ccc(F)c(F)c1 ZINC000034915127 570344408 /nfs/dbraw/zinc/34/44/08/570344408.db2.gz ZDALFIZDSDLCRD-UHFFFAOYSA-N 0 0 392.409 5.540 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(F)ccc1F)c2NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034916144 570344624 /nfs/dbraw/zinc/34/46/24/570344624.db2.gz IYYUEIPVEXUKHC-OAHLLOKOSA-N 0 0 399.485 5.989 50 0 GKAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(Cl)cc1Cl ZINC000023120628 570344926 /nfs/dbraw/zinc/34/49/26/570344926.db2.gz ZWVRTOSEBWCGIX-UHFFFAOYSA-N 0 0 381.259 5.437 50 0 GKAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(CCC)C(=O)C(CC)CC)c1 ZINC000034921625 570345200 /nfs/dbraw/zinc/34/52/00/570345200.db2.gz FLTUXQXMBGLDRF-UHFFFAOYSA-N 0 0 389.584 5.056 50 0 GKAARN COc1cccc(-c2cc(CN(C(=O)Nc3cccc(C)c3)C(C)C)no2)c1 ZINC000034922363 570345367 /nfs/dbraw/zinc/34/53/67/570345367.db2.gz MCYCPUXSSLFNFI-UHFFFAOYSA-N 0 0 379.460 5.101 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2NC(=O)c1cccc(F)c1 ZINC000034912553 570346139 /nfs/dbraw/zinc/34/61/39/570346139.db2.gz WKYUHBDFDQEBNP-UHFFFAOYSA-N 0 0 379.822 5.355 50 0 GKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)[C@H]1C[C@H]1c1ccccc1 ZINC000034912534 570346238 /nfs/dbraw/zinc/34/62/38/570346238.db2.gz MBFPKJNTNUMCPF-OALUTQOASA-N 0 0 387.870 5.397 50 0 GKAARN COc1ccc2oc(-c3csc(NC(=O)c4ccccc4Cl)n3)cc2c1 ZINC000010882317 570346240 /nfs/dbraw/zinc/34/62/40/570346240.db2.gz HIHAKBPKOCTIAD-UHFFFAOYSA-N 0 0 384.844 5.471 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034912956 570346572 /nfs/dbraw/zinc/34/65/72/570346572.db2.gz FUFALIUYPBRLBM-MRXNPFEDSA-N 0 0 381.495 5.850 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)C[C@H](C)CC(C)(C)C ZINC000034912957 570346656 /nfs/dbraw/zinc/34/66/56/570346656.db2.gz FUFALIUYPBRLBM-INIZCTEOSA-N 0 0 381.495 5.850 50 0 GKAARN CC(C)C[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000033423525 570346795 /nfs/dbraw/zinc/34/67/95/570346795.db2.gz MOLXOSLQNZTYJE-UYAOXDASSA-N 0 0 385.305 5.365 50 0 GKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)C[C@H](C)CC(C)(C)C ZINC000034913044 570346728 /nfs/dbraw/zinc/34/67/28/570346728.db2.gz XVIZVNPEIXLYER-IBGZPJMESA-N 0 0 391.559 5.829 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3ccc(Cl)cc3)n2c1 ZINC000034913229 570346770 /nfs/dbraw/zinc/34/67/70/570346770.db2.gz AMFWWGPSXYJLTI-UHFFFAOYSA-N 0 0 396.277 5.869 50 0 GKAARN CCc1ccc(C(=O)Nc2c(CCc3ccccc3)nc3cc(C)ccn32)cc1 ZINC000034913064 570346785 /nfs/dbraw/zinc/34/67/85/570346785.db2.gz XVTSLXSVDSVWBA-UHFFFAOYSA-N 0 0 383.495 5.243 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)/C=C/c3ccccc3)n2c1 ZINC000034913235 570346814 /nfs/dbraw/zinc/34/68/14/570346814.db2.gz HYHSWEBAHADVBH-ACCUITESSA-N 0 0 387.870 5.615 50 0 GKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3cccc(Cl)c3)n2c1 ZINC000034913127 570346822 /nfs/dbraw/zinc/34/68/22/570346822.db2.gz PAPQALZFJVKBGJ-UHFFFAOYSA-N 0 0 375.859 5.139 50 0 GKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)C34CC5CC(CC(C5)C3)C4)n2c1 ZINC000034913136 570346828 /nfs/dbraw/zinc/34/68/28/570346828.db2.gz SSAJWIJTNVRSLB-UHFFFAOYSA-N 0 0 399.538 5.388 50 0 GKAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)c1cc(Cl)cc(Cl)c1 ZINC000034913089 570346952 /nfs/dbraw/zinc/34/69/52/570346952.db2.gz ATFJIYCYTJDIFW-UHFFFAOYSA-N 0 0 396.277 5.484 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034913301 570346956 /nfs/dbraw/zinc/34/69/56/570346956.db2.gz OAYIFYFYRBZPHK-VQTJNVASSA-N 0 0 385.442 5.191 50 0 GKAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1Nc1ccc(Cl)cc1 ZINC000003469647 570347072 /nfs/dbraw/zinc/34/70/72/570347072.db2.gz GWPBNFLZHYKTPG-UHFFFAOYSA-N 0 0 375.255 5.909 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034913335 570347109 /nfs/dbraw/zinc/34/71/09/570347109.db2.gz LJSQCZRATSJSLL-LEWJYISDSA-N 0 0 381.479 5.360 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)CSc1ccccc1 ZINC000034913316 570347310 /nfs/dbraw/zinc/34/73/10/570347310.db2.gz GUVWKBUJBSSQBY-UHFFFAOYSA-N 0 0 387.508 5.349 50 0 GKAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1Cl)O2 ZINC000004852513 570347490 /nfs/dbraw/zinc/34/74/90/570347490.db2.gz ROUVHHMTYZIHQQ-GGAORHGYSA-N 0 0 390.870 5.591 50 0 GKAARN CC(C)CN(CC(C)C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022644218 570347935 /nfs/dbraw/zinc/34/79/35/570347935.db2.gz VVHQSGGBXRADOO-UHFFFAOYSA-N 0 0 383.479 6.188 50 0 GKAARN COc1ccc2cc([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2c1 ZINC000022763731 570348580 /nfs/dbraw/zinc/34/85/80/570348580.db2.gz SHHSNYLDFQPLFO-MJXNMMHHSA-N 0 0 379.422 5.189 50 0 GKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 ZINC000004854114 570348715 /nfs/dbraw/zinc/34/87/15/570348715.db2.gz RUJQLAWBKVMOBS-ICSRJNTNSA-N 0 0 385.305 5.427 50 0 GKAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000004854450 570349050 /nfs/dbraw/zinc/34/90/50/570349050.db2.gz KQEAJORHHPXSAV-OAQYLSRUSA-N 0 0 381.426 5.020 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000004854412 570349064 /nfs/dbraw/zinc/34/90/64/570349064.db2.gz IUPGVZVQQSEXKC-LJQANCHMSA-N 0 0 387.817 5.057 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@H]1c1cccs1 ZINC000004854578 570349172 /nfs/dbraw/zinc/34/91/72/570349172.db2.gz YNTZSYMPAFIAHT-KRWDZBQOSA-N 0 0 392.311 5.494 50 0 GKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccccc2F)c(C(C)C)c1 ZINC000003664506 570349596 /nfs/dbraw/zinc/34/95/96/570349596.db2.gz UPMOASUAXAUSDQ-UHFFFAOYSA-N 0 0 377.525 5.997 50 0 GKAARN CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000003666298 570349969 /nfs/dbraw/zinc/34/99/69/570349969.db2.gz JQBASMSFULBZRO-QHCPKHFHSA-N 0 0 390.458 5.776 50 0 GKAARN c1coc(-c2nc3ccccc3c(SCc3nc(-c4ccsc4)no3)n2)c1 ZINC000023200212 570350029 /nfs/dbraw/zinc/35/00/29/570350029.db2.gz HONIFGFXDWZRPP-UHFFFAOYSA-N 0 0 392.465 5.294 50 0 GKAARN Clc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@@H](c3ccccc3)C2)cc1 ZINC000004863798 570350461 /nfs/dbraw/zinc/35/04/61/570350461.db2.gz BDJVRERLPPLMQS-HSZRJFAPSA-N 0 0 383.882 6.317 50 0 GKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004862854 570350589 /nfs/dbraw/zinc/35/05/89/570350589.db2.gz HDYHUPWQSNOGGT-AZGAKELHSA-N 0 0 382.507 6.361 50 0 GKAARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870412 570351701 /nfs/dbraw/zinc/35/17/01/570351701.db2.gz UHFPGEQDECGQRI-HSZRJFAPSA-N 0 0 399.881 5.788 50 0 GKAARN COc1cc(C)c(NC(=O)CSc2cc(Cl)ccc2Cl)cc1OC ZINC000006259137 570351737 /nfs/dbraw/zinc/35/17/37/570351737.db2.gz MVBMNYYFGBRWKU-UHFFFAOYSA-N 0 0 386.300 5.050 50 0 GKAARN COc1ccc([C@@H]2CC(c3cccs3)=Nc3nc(-c4ccccc4)cn32)cc1 ZINC000004872341 570352156 /nfs/dbraw/zinc/35/21/56/570352156.db2.gz JTFQLNJDWCOGQS-NRFANRHFSA-N 0 0 385.492 5.676 50 0 GKAARN COc1ccc(-c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 ZINC000003849200 570352260 /nfs/dbraw/zinc/35/22/60/570352260.db2.gz WLJNZRKIMJCVPS-UHFFFAOYSA-N 0 0 375.375 5.152 50 0 GKAARN Cc1nn(C(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000004871390 570352239 /nfs/dbraw/zinc/35/22/39/570352239.db2.gz RUDHCMFSSWANRF-ILZRKNNQSA-N 0 0 386.845 5.085 50 0 GKAARN CC[C@@H](C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 ZINC000004875290 570353084 /nfs/dbraw/zinc/35/30/84/570353084.db2.gz ARCMEJODEQBZGR-GFCCVEGCSA-N 0 0 379.528 5.127 50 0 GKAARN CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1 ZINC000003976476 570353835 /nfs/dbraw/zinc/35/38/35/570353835.db2.gz YZQLWPMZQVHJED-UHFFFAOYSA-N 0 0 389.605 6.677 50 0 investigational GKAARN COc1cccc(-c2nc(COc3cccc(Cl)c3Cl)cs2)c1OC ZINC000023273157 570353916 /nfs/dbraw/zinc/35/39/16/570353916.db2.gz PFCFAHPGHMSFHD-UHFFFAOYSA-N 0 0 396.295 5.713 50 0 GKAARN CCOc1ccccc1CNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000004881723 570354419 /nfs/dbraw/zinc/35/44/19/570354419.db2.gz LWXVQKJPRJACPQ-UHFFFAOYSA-N 0 0 388.492 5.292 50 0 GKAARN CCOc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000004881664 570354423 /nfs/dbraw/zinc/35/44/23/570354423.db2.gz KQMSCRNROVNMPY-UHFFFAOYSA-N 0 0 388.492 5.292 50 0 GKAARN C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023313722 570354515 /nfs/dbraw/zinc/35/45/15/570354515.db2.gz ZCKFRJJWIQYMGI-QGZVFWFLSA-N 0 0 377.509 6.222 50 0 GKAARN Brc1ccc(N2N=C(c3cccnc3)C[C@H]2c2ccccc2)cc1 ZINC000004020536 570354633 /nfs/dbraw/zinc/35/46/33/570354633.db2.gz WKUJFBHGHFCELO-FQEVSTJZSA-N 0 0 378.273 5.200 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023330903 570354888 /nfs/dbraw/zinc/35/48/88/570354888.db2.gz ZEUGTMMPAYVEFV-OAQYLSRUSA-N 0 0 398.840 5.798 50 0 GKAARN CCOC(=O)c1cccc(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1 ZINC000004886167 570355138 /nfs/dbraw/zinc/35/51/38/570355138.db2.gz UJPWETCPYBOXON-UHFFFAOYSA-N 0 0 390.464 5.187 50 0 GKAARN CCOc1ccccc1N(C)C(=O)c1cc2cc3ccc(OC)cc3nc2s1 ZINC000004886397 570355184 /nfs/dbraw/zinc/35/51/84/570355184.db2.gz LGPZCEPWNZIVHL-UHFFFAOYSA-N 0 0 392.480 5.133 50 0 GKAARN COc1ccc(Cl)cc1N(C)C(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000004886075 570355242 /nfs/dbraw/zinc/35/52/42/570355242.db2.gz MOTJUOLIOJGXJO-UHFFFAOYSA-N 0 0 396.899 5.697 50 0 GKAARN C[C@@H](c1cccs1)N(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000023338508 570355455 /nfs/dbraw/zinc/35/54/55/570355455.db2.gz YMVZNLFSCPAPNW-KRWDZBQOSA-N 0 0 389.524 5.504 50 0 GKAARN O=C(CSc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(Cl)cc1 ZINC000004050243 570355479 /nfs/dbraw/zinc/35/54/79/570355479.db2.gz SKYJKPUMVWNWSR-UHFFFAOYSA-N 0 0 398.793 5.384 50 0 GKAARN CCCCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccccc1 ZINC000004883181 570355824 /nfs/dbraw/zinc/35/58/24/570355824.db2.gz UDWQFIZECDHOLY-LTGZKZEYSA-N 0 0 394.540 5.751 50 0 GKAARN Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1C(C)C ZINC000004054456 570355943 /nfs/dbraw/zinc/35/59/43/570355943.db2.gz MEYIHSOBZYUUDX-UHFFFAOYSA-N 0 0 381.328 5.552 50 0 GKAARN Cc1cc(C)c2c(n1)sc(NC(=O)Nc1ccc(F)cc1)c2-n1cccc1 ZINC000004052811 570355985 /nfs/dbraw/zinc/35/59/85/570355985.db2.gz UXXXFRQPNWPAQG-UHFFFAOYSA-N 0 0 380.448 5.487 50 0 GKAARN O=C(Oc1ccc(-c2nccc(-c3cccs3)n2)cc1)c1ccc(Cl)cc1 ZINC000004060768 570356423 /nfs/dbraw/zinc/35/64/23/570356423.db2.gz XJFCWUHTXJXUQT-UHFFFAOYSA-N 0 0 392.867 5.745 50 0 GKAARN COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)c1 ZINC000006271883 570356490 /nfs/dbraw/zinc/35/64/90/570356490.db2.gz YLGQVOSSSNEOQV-UHFFFAOYSA-N 0 0 382.463 5.780 50 0 GKAARN O=C(C[C@H]1C=CCC1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000023360031 570356745 /nfs/dbraw/zinc/35/67/45/570356745.db2.gz BQBLJTBKTZTOMX-VBKZILBWSA-N 0 0 399.416 5.144 50 0 GKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1cccc(F)c1 ZINC000004890925 570357299 /nfs/dbraw/zinc/35/72/99/570357299.db2.gz AHYHZTPEDLKLJO-UHFFFAOYSA-N 0 0 395.503 5.059 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(Br)cc2)c2c1CC(C)(C)O2 ZINC000004104974 570357488 /nfs/dbraw/zinc/35/74/88/570357488.db2.gz BXDJAIPVNMTOSN-UHFFFAOYSA-N 0 0 375.266 5.115 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(C)c(C)c3)nc3ccccc32)cc1 ZINC000035429734 570357656 /nfs/dbraw/zinc/35/76/56/570357656.db2.gz OXSJSPHZVNAPOZ-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(C)cc3C)nc3ccccc32)cc1 ZINC000035429719 570357735 /nfs/dbraw/zinc/35/77/35/570357735.db2.gz WWGQUEJNLFGUDA-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN Cc1ccc(C2=NC(C)(C)N(C(=O)c3ccc(Cl)c(Cl)c3)C2=S)cc1 ZINC000004892140 570358063 /nfs/dbraw/zinc/35/80/63/570358063.db2.gz MAWFDUMNEORYEM-UHFFFAOYSA-N 0 0 391.323 5.310 50 0 GKAARN COc1ccc(-c2nc(N3CCCCCC3)sc2C(=O)c2ccccc2)cc1 ZINC000004114292 570358149 /nfs/dbraw/zinc/35/81/49/570358149.db2.gz AZJRNLGLZWXWQT-UHFFFAOYSA-N 0 0 392.524 5.430 50 0 GKAARN CCOc1ccc2[nH]c(SCC(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)nc2c1 ZINC000004114843 570358154 /nfs/dbraw/zinc/35/81/54/570358154.db2.gz GRSXKDRCOBANSZ-GMBSWORKSA-N 0 0 390.549 5.058 50 0 GKAARN Brc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000004113837 570358174 /nfs/dbraw/zinc/35/81/74/570358174.db2.gz JYUJIDOTZMPODL-MDWZMJQESA-N 0 0 376.253 6.428 50 0 GKAARN Cc1cc(C)c2c(N)c(C(=O)N3c4ccccc4C=Cc4ccccc43)sc2n1 ZINC000035326883 570358177 /nfs/dbraw/zinc/35/81/77/570358177.db2.gz KIDGVJKQVISALB-UHFFFAOYSA-N 0 0 397.503 5.958 50 0 GKAARN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(Cl)c1 ZINC000004123041 570358561 /nfs/dbraw/zinc/35/85/61/570358561.db2.gz ULUCROOYCTVBTA-UHFFFAOYSA-N 0 0 386.923 5.211 50 0 GKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000004122474 570358565 /nfs/dbraw/zinc/35/85/65/570358565.db2.gz IOHLJPHJLKDCPU-IZZDOVSWSA-N 0 0 389.842 5.504 50 0 GKAARN Clc1ccccc1[C@@H]1[C@@H]2CCC/C(=C\c3ccco3)C2=NN1c1ccccc1 ZINC000004898978 570358637 /nfs/dbraw/zinc/35/86/37/570358637.db2.gz IAOPIHQPHYYGAG-HARZZHESSA-N 0 0 388.898 6.734 50 0 GKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000004129370 570358891 /nfs/dbraw/zinc/35/88/91/570358891.db2.gz BEZUUMGTNPVKCM-UHFFFAOYSA-N 0 0 398.846 5.225 50 0 GKAARN CC(=O)N(CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000000810523 570359283 /nfs/dbraw/zinc/35/92/83/570359283.db2.gz JAZNZAFCHUHFCY-YADHBBJMSA-N 0 0 383.532 5.082 50 0 biogenic GKAARN FC(F)(F)c1cc(-c2ccccc2)nc(SCc2ccccc2Cl)n1 ZINC000023382034 570359859 /nfs/dbraw/zinc/35/98/59/570359859.db2.gz BLWXZMKHPLEBGQ-UHFFFAOYSA-N 0 0 380.822 6.108 50 0 GKAARN COc1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)c1 ZINC000004144444 570359893 /nfs/dbraw/zinc/35/98/93/570359893.db2.gz QPGSXQFDTAAHGX-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2cccc(Cl)c2Cl)c1 ZINC000004900500 570359936 /nfs/dbraw/zinc/35/99/36/570359936.db2.gz LEDVMCBCFHMJBY-LJQANCHMSA-N 0 0 384.266 5.468 50 0 GKAARN Cc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc32)cc1 ZINC000035446324 570359976 /nfs/dbraw/zinc/35/99/76/570359976.db2.gz DFAJIKJZOXJQDX-UHFFFAOYSA-N 0 0 397.413 5.538 50 0 GKAARN Cc1cccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)c1 ZINC000035446439 570360018 /nfs/dbraw/zinc/36/00/18/570360018.db2.gz HOWQJTWTPDHBEX-UHFFFAOYSA-N 0 0 393.450 5.707 50 0 GKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000004154547 570360088 /nfs/dbraw/zinc/36/00/88/570360088.db2.gz XWMWGPFTMBVPHM-UHFFFAOYSA-N 0 0 391.901 5.559 50 0 GKAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(Cl)c(Cl)c1 ZINC000004154564 570360159 /nfs/dbraw/zinc/36/01/59/570360159.db2.gz AUZHRQSQOYQEBN-UHFFFAOYSA-N 0 0 390.266 5.636 50 0 GKAARN Cc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccccc3C)CC1)c1cccn1-2 ZINC000035446781 570360246 /nfs/dbraw/zinc/36/02/46/570360246.db2.gz NTLGUZCKHFFUEB-UHFFFAOYSA-N 0 0 386.499 5.043 50 0 biogenic GKAARN Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c(Cl)c1 ZINC000004154672 570360247 /nfs/dbraw/zinc/36/02/47/570360247.db2.gz KRXXQOVNXDEGOW-IFMALSPDSA-N 0 0 395.289 6.236 50 0 GKAARN COc1ccc2nc3sc(C(=O)N[C@H](C)CCc4ccccc4)cc3cc2c1 ZINC000004901111 570360236 /nfs/dbraw/zinc/36/02/36/570360236.db2.gz VRXHESBSFSBPGG-OAHLLOKOSA-N 0 0 390.508 5.209 50 0 GKAARN C(=C/c1ccccc1)\c1nc2cc3nc(/C=C/c4ccccc4)sc3cc2s1 ZINC000004154665 570360276 /nfs/dbraw/zinc/36/02/76/570360276.db2.gz XPTQSFZQLPZVKQ-PHEQNACWSA-N 0 0 396.540 7.247 50 0 GKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1C ZINC000035446659 570360278 /nfs/dbraw/zinc/36/02/78/570360278.db2.gz VCNXRHQJUVGEEQ-UHFFFAOYSA-N 0 0 386.499 5.043 50 0 biogenic GKAARN O=c1oc2cc(OCc3ccc(Br)cc3)ccc2c2c1CCCC2 ZINC000004159044 570360587 /nfs/dbraw/zinc/36/05/87/570360587.db2.gz JYUFNIJVSBVDIF-UHFFFAOYSA-N 0 0 385.257 5.013 50 0 GKAARN Cc1cc(C)n2c(nc(-c3ccsc3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000004903974 570361041 /nfs/dbraw/zinc/36/10/41/570361041.db2.gz WIPPATJOBBCRQL-UHFFFAOYSA-N 0 0 388.418 5.837 50 0 GKAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000004905019 570361103 /nfs/dbraw/zinc/36/11/03/570361103.db2.gz RUNFSMVUFHCVGB-UHFFFAOYSA-N 0 0 395.425 5.163 50 0 GKAARN O=C(Nc1ccccc1Oc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000004175851 570361133 /nfs/dbraw/zinc/36/11/33/570361133.db2.gz OCJQHCGTUYLHNK-UHFFFAOYSA-N 0 0 379.459 6.250 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1scc2c1c1ccccc1oc2=O ZINC000004180239 570361527 /nfs/dbraw/zinc/36/15/27/570361527.db2.gz AOJUKYNIZAVFSN-UHFFFAOYSA-N 0 0 393.508 5.553 50 0 GKAARN CC(=O)Oc1cccc2ccc(/C=C/c3ccccc3OCc3ccccc3)nc21 ZINC000004182548 570361706 /nfs/dbraw/zinc/36/17/06/570361706.db2.gz UIRFWSLOIPJOKN-JQIJEIRASA-N 0 0 395.458 5.910 50 0 GKAARN COc1ccc(Nc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000004909844 570362080 /nfs/dbraw/zinc/36/20/80/570362080.db2.gz WUCHWNBMMXCLHG-IERDGZPVSA-N 0 0 389.499 5.296 50 0 GKAARN Fc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1Br ZINC000004909900 570362106 /nfs/dbraw/zinc/36/21/06/570362106.db2.gz YJQNXPCKVSFGFN-UHFFFAOYSA-N 0 0 399.288 6.374 50 0 GKAARN COc1ccc(Nc2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000004909850 570362178 /nfs/dbraw/zinc/36/21/78/570362178.db2.gz WUCHWNBMMXCLHG-KKSFZXQISA-N 0 0 389.499 5.296 50 0 GKAARN CC1CCN(c2nc(-c3ccc(Oc4ccccc4)cc3)nc3ccccc32)CC1 ZINC000023447023 570362773 /nfs/dbraw/zinc/36/27/73/570362773.db2.gz OOVNBWIIHNJYBL-UHFFFAOYSA-N 0 0 395.506 6.325 50 0 GKAARN CCc1ccccc1Nc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1 ZINC000004910302 570362792 /nfs/dbraw/zinc/36/27/92/570362792.db2.gz ZCUVITYVLIQZCK-DYESRHJHSA-N 0 0 387.527 5.849 50 0 GKAARN Cc1ccc2cc3cc(C(=O)NCC4(c5ccccc5)CCCC4)oc3nc2c1 ZINC000004907044 570362921 /nfs/dbraw/zinc/36/29/21/570362921.db2.gz DALVKFKFZZRBQV-UHFFFAOYSA-N 0 0 384.479 5.531 50 0 GKAARN Cc1nc(-c2ccc(-c3noc(CCc4c[nH]c5ccccc45)n3)cc2)cs1 ZINC000035457403 570362934 /nfs/dbraw/zinc/36/29/34/570362934.db2.gz NTOXBUVRORZYTL-UHFFFAOYSA-N 0 0 386.480 5.435 50 0 GKAARN Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccccc2F)cc1 ZINC000004211385 570362966 /nfs/dbraw/zinc/36/29/66/570362966.db2.gz XHOFXQITRYIWNE-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN COc1ccc(Cl)c2sc(NC(=O)c3cc(Cl)sc3Cl)nc21 ZINC000012345004 570363137 /nfs/dbraw/zinc/36/31/37/570363137.db2.gz JWSCCTRYLKYAPS-UHFFFAOYSA-N 0 0 393.704 5.579 50 0 GKAARN Cc1ccc(C)c(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c1 ZINC000004911007 570363189 /nfs/dbraw/zinc/36/31/89/570363189.db2.gz IRJTVBGIUCKTBH-UHFFFAOYSA-N 0 0 395.506 5.568 50 0 GKAARN Cc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c(C)c1 ZINC000004911144 570363270 /nfs/dbraw/zinc/36/32/70/570363270.db2.gz JWPDJAHIKZZLQN-UHFFFAOYSA-N 0 0 395.506 5.568 50 0 GKAARN Cc1ccc(C)c(Nc2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)c1 ZINC000004910958 570363299 /nfs/dbraw/zinc/36/32/99/570363299.db2.gz KWWTVCMUZYIMQO-IBGZPJMESA-N 0 0 395.506 6.086 50 0 GKAARN CCn1cc(CN(C(=S)Nc2cccc(OC)c2)C(C)C)c2ccccc21 ZINC000004913292 570363607 /nfs/dbraw/zinc/36/36/07/570363607.db2.gz DRXKEEZKWYAWRS-UHFFFAOYSA-N 0 0 381.545 5.277 50 0 GKAARN Fc1ccccc1CSc1nc2ccncc2n1Cc1ccccc1Cl ZINC000004914624 570363746 /nfs/dbraw/zinc/36/37/46/570363746.db2.gz UJXAYXYPUPOYIO-UHFFFAOYSA-N 0 0 383.879 5.564 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(OC)cc1 ZINC000004913719 570363839 /nfs/dbraw/zinc/36/38/39/570363839.db2.gz GZPWNLJODADAPH-KRWDZBQOSA-N 0 0 395.572 5.667 50 0 GKAARN Cc1ccc(Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000004914678 570363849 /nfs/dbraw/zinc/36/38/49/570363849.db2.gz LKZCVBMXZUKXDC-UHFFFAOYSA-N 0 0 379.916 5.734 50 0 GKAARN CCc1ccccc1NC(=S)N(Cc1cn(CC)c2ccccc12)C(C)C ZINC000004913792 570363933 /nfs/dbraw/zinc/36/39/33/570363933.db2.gz FFIVYNXVYFAAMB-UHFFFAOYSA-N 0 0 379.573 5.831 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)o2)cc1C ZINC000023507618 570364002 /nfs/dbraw/zinc/36/40/02/570364002.db2.gz WSXPANBRDKYIMN-INIZCTEOSA-N 0 0 398.453 5.389 50 0 GKAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c(C)c1 ZINC000004914904 570364094 /nfs/dbraw/zinc/36/40/94/570364094.db2.gz FNGBMHSVPYMKRH-QFIPXVFZSA-N 0 0 376.887 5.724 50 0 GKAARN CCc1cccc(C)c1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004914928 570364206 /nfs/dbraw/zinc/36/42/06/570364206.db2.gz QHMCMRDIVAZUHU-QHCPKHFHSA-N 0 0 390.914 5.978 50 0 GKAARN COc1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCC2)c1 ZINC000004911918 570364282 /nfs/dbraw/zinc/36/42/82/570364282.db2.gz GATPMIIYEBDISL-UHFFFAOYSA-N 0 0 379.529 5.318 50 0 GKAARN COc1ccccc1NC(=S)N(Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000004912091 570364304 /nfs/dbraw/zinc/36/43/04/570364304.db2.gz PJKXCQWHRWLRJL-UHFFFAOYSA-N 0 0 393.556 5.708 50 0 GKAARN CCOc1ccccc1NC(=S)N(Cc1cn(C)c2ccccc12)C(C)C ZINC000004912318 570364616 /nfs/dbraw/zinc/36/46/16/570364616.db2.gz AMOJQSWVHOLFHK-UHFFFAOYSA-N 0 0 381.545 5.184 50 0 GKAARN CSc1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCC2)c1 ZINC000004912196 570364639 /nfs/dbraw/zinc/36/46/39/570364639.db2.gz JPBJMIQLVXFITM-UHFFFAOYSA-N 0 0 395.597 6.031 50 0 GKAARN Cn1cc(CN(C(=S)Nc2cccc(Cl)c2)C2CCCC2)c2ccccc21 ZINC000004912664 570365055 /nfs/dbraw/zinc/36/50/55/570365055.db2.gz CXJVTTDOESPBIH-UHFFFAOYSA-N 0 0 397.975 5.973 50 0 GKAARN CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476067 570365226 /nfs/dbraw/zinc/36/52/26/570365226.db2.gz ASIMRNYNROFGAL-UHFFFAOYSA-N 0 0 382.552 5.122 50 0 GKAARN CCOc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2cccc(SC)c2)cc1 ZINC000004918443 570365761 /nfs/dbraw/zinc/36/57/61/570365761.db2.gz FWERZXLNUAMYTM-QFIPXVFZSA-N 0 0 390.508 5.578 50 0 GKAARN Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1Cl ZINC000004301333 570366427 /nfs/dbraw/zinc/36/64/27/570366427.db2.gz ACULRJWGTZOXAO-DENIHFKCSA-N 0 0 395.289 6.236 50 0 GKAARN COc1ccc(C2=NN(c3ccccc3)[C@H](c3c(Cl)cccc3Cl)C2)cc1 ZINC000004301196 570366510 /nfs/dbraw/zinc/36/65/10/570366510.db2.gz PMVQEBNDPRAHAH-NRFANRHFSA-N 0 0 397.305 6.358 50 0 GKAARN Cc1cccc(C2=NN(c3ccccc3)[C@@H](c3c(Cl)cccc3Cl)C2)c1 ZINC000004301201 570366515 /nfs/dbraw/zinc/36/65/15/570366515.db2.gz XXISKTFGDLFYCB-OAQYLSRUSA-N 0 0 381.306 6.658 50 0 GKAARN COc1cccc(Nc2ncnc3cc(-c4ccc(C(C)(C)C)cc4)sc32)c1 ZINC000004307235 570366731 /nfs/dbraw/zinc/36/67/31/570366731.db2.gz IWVZRUGRJXOVII-UHFFFAOYSA-N 0 0 389.524 6.408 50 0 GKAARN COCc1c2ccccc2oc1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000006306263 570366932 /nfs/dbraw/zinc/36/69/32/570366932.db2.gz YAFOZAJVDUZTMI-UHFFFAOYSA-N 0 0 399.490 5.531 50 0 GKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000006302903 570366945 /nfs/dbraw/zinc/36/69/45/570366945.db2.gz 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570381969 /nfs/dbraw/zinc/38/19/69/570381969.db2.gz IKXLWIRLYUKBJF-UHFFFAOYSA-N 0 0 399.446 5.135 50 0 GKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCCCc2ccccc2)cc1 ZINC000004959075 570381998 /nfs/dbraw/zinc/38/19/98/570381998.db2.gz MSSQRVCYSWSKTP-UHFFFAOYSA-N 0 0 397.474 5.131 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000004959027 570382172 /nfs/dbraw/zinc/38/21/72/570382172.db2.gz CYZQZKAELSBKDY-UHFFFAOYSA-N 0 0 399.446 5.338 50 0 GKAARN CCOc1ccccc1OC(=O)c1cc2c(C)nn(-c3cccc(F)c3)c2s1 ZINC000035509895 570382461 /nfs/dbraw/zinc/38/24/61/570382461.db2.gz JXCJSPWEDFTJBV-UHFFFAOYSA-N 0 0 396.443 5.152 50 0 GKAARN Cc1ccc(Cl)cc1N[C@@H]1c2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000004961369 570382636 /nfs/dbraw/zinc/38/26/36/570382636.db2.gz PHIFHQBMNSCNPZ-FQEVSTJZSA-N 0 0 383.278 6.073 50 0 GKAARN COc1ccc(Cl)cc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004960801 570382681 /nfs/dbraw/zinc/38/26/81/570382681.db2.gz ZRLCJMVEVDHSRX-NRFANRHFSA-N 0 0 378.859 5.115 50 0 GKAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000004961305 570382731 /nfs/dbraw/zinc/38/27/31/570382731.db2.gz GHSMGICASDHCAS-OAQYLSRUSA-N 0 0 394.858 5.128 50 0 GKAARN CCOc1ccccc1NC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961568 570382956 /nfs/dbraw/zinc/38/29/56/570382956.db2.gz ZASIQTTYUJJLBJ-UHFFFAOYSA-N 0 0 396.899 6.062 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000004551196 570383817 /nfs/dbraw/zinc/38/38/17/570383817.db2.gz WGTKSRSQVMRRRZ-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN COc1ccc(SCC2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000090608256 570384326 /nfs/dbraw/zinc/38/43/26/570384326.db2.gz WFBGKUKLFCOIPR-UHFFFAOYSA-N 0 0 391.536 5.493 50 0 GKAARN COc1ccccc1-n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000004557598 570384688 /nfs/dbraw/zinc/38/46/88/570384688.db2.gz HGLQBYRHNNTDPL-NTCAYCPXSA-N 0 0 388.854 5.218 50 0 GKAARN CCOc1ccc(C(=O)c2cnc3cc(Cl)ccc3c2-c2ccccc2)cc1 ZINC000004568136 570384944 /nfs/dbraw/zinc/38/49/44/570384944.db2.gz 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ZINC000004970071 570385321 /nfs/dbraw/zinc/38/53/21/570385321.db2.gz PRBLBZUXXAVVNS-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCO5)cc1 ZINC000004970176 570385444 /nfs/dbraw/zinc/38/54/44/570385444.db2.gz UMLOSCUALIPVAW-UHFFFAOYSA-N 0 0 397.409 5.417 50 0 GKAARN Cc1cccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)c1C ZINC000004970206 570385447 /nfs/dbraw/zinc/38/54/47/570385447.db2.gz GOVQYDVNMUTIDG-UHFFFAOYSA-N 0 0 385.417 6.136 50 0 GKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4CC)c3c2c1 ZINC000004970157 570385453 /nfs/dbraw/zinc/38/54/53/570385453.db2.gz MJDUGMHHBLDHOE-UHFFFAOYSA-N 0 0 393.490 6.202 50 0 GKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970110 570385456 /nfs/dbraw/zinc/38/54/56/570385456.db2.gz ZBMVTDMKQLTRAH-UHFFFAOYSA-N 0 0 387.389 5.528 50 0 GKAARN Brc1cccc(N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 ZINC000004578213 570385570 /nfs/dbraw/zinc/38/55/70/570385570.db2.gz WBKJRLKGUMZVKA-HNNXBMFYSA-N 0 0 389.343 5.928 50 0 GKAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970242 570385571 /nfs/dbraw/zinc/38/55/71/570385571.db2.gz NLVBKVUYNCCGMU-UHFFFAOYSA-N 0 0 397.453 6.005 50 0 GKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccccc32)cc1OC ZINC000004970310 570385586 /nfs/dbraw/zinc/38/55/86/570385586.db2.gz FCIHARQYKGQLLP-UHFFFAOYSA-N 0 0 395.462 5.566 50 0 GKAARN Clc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccccc32)cc1 ZINC000004970333 570385598 /nfs/dbraw/zinc/38/55/98/570385598.db2.gz NQDKXUKPDTUZQD-UHFFFAOYSA-N 0 0 390.273 6.548 50 0 GKAARN COc1ccc(-n2nc(-c3cccc(OC)c3)c3cnc4ccc(C)cc4c32)cc1 ZINC000004970293 570385660 /nfs/dbraw/zinc/38/56/60/570385660.db2.gz ICDLCJHSUGJALH-UHFFFAOYSA-N 0 0 395.462 5.566 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004577667 570385711 /nfs/dbraw/zinc/38/57/11/570385711.db2.gz MERYWBVZYVAWIV-UHFFFAOYSA-N 0 0 398.934 5.640 50 0 GKAARN COc1ccccc1NC(=O)CCCCCCCCCCCc1cccc(C)c1 ZINC000004578084 570385733 /nfs/dbraw/zinc/38/57/33/570385733.db2.gz 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570386232 /nfs/dbraw/zinc/38/62/32/570386232.db2.gz WEVOUAZDXKBUPK-UHFFFAOYSA-N 0 0 395.915 5.216 50 0 GKAARN Cc1ccc(CSC[C@H]2COC(c3cccn3Cc3ccc(C)cc3)=N2)cc1 ZINC000004970974 570386303 /nfs/dbraw/zinc/38/63/03/570386303.db2.gz IJMXYXDRNXDPHI-JOCHJYFZSA-N 0 0 390.552 5.232 50 0 GKAARN Fc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)[C@H]1CO2 ZINC000004592722 570386304 /nfs/dbraw/zinc/38/63/04/570386304.db2.gz GZBUANHOAMCPIY-HTAPYJJXSA-N 0 0 395.886 6.456 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccoc1)Cc1cccs1 ZINC000090612259 570386972 /nfs/dbraw/zinc/38/69/72/570386972.db2.gz AHYFEADJJHVZDF-UHFFFAOYSA-N 0 0 380.391 5.594 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc2ccccc21 ZINC000004973855 570387019 /nfs/dbraw/zinc/38/70/19/570387019.db2.gz KVKUHBNSUQQXSU-SAPNQHFASA-N 0 0 392.433 5.848 50 0 GKAARN CCOc1ccccc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000004972099 570387051 /nfs/dbraw/zinc/38/70/51/570387051.db2.gz PHENRMJHXQLSHS-UHFFFAOYSA-N 0 0 399.446 5.419 50 0 GKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000004972081 570387079 /nfs/dbraw/zinc/38/70/79/570387079.db2.gz CSYUQNJVMJNSFV-UHFFFAOYSA-N 0 0 383.447 5.638 50 0 GKAARN Clc1cccc(Cl)c1CSc1ncnc2sc3c(c21)CCCC3 ZINC000004976391 570387256 /nfs/dbraw/zinc/38/72/56/570387256.db2.gz BREBAXSQYYGBMF-UHFFFAOYSA-N 0 0 381.353 6.169 50 0 GKAARN Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)nc2ccccc21 ZINC000004976338 570387274 /nfs/dbraw/zinc/38/72/74/570387274.db2.gz KWZAUMJFIMYKGK-KRWDZBQOSA-N 0 0 399.519 5.725 50 0 GKAARN CCc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccc(C)c(C)c3)c2c1 ZINC000004610403 570387233 /nfs/dbraw/zinc/38/72/33/570387233.db2.gz NJGLMBBAKMCRKV-UHFFFAOYSA-N 0 0 394.518 6.642 50 0 GKAARN O=C(OCc1cccc(Cl)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000004610709 570387378 /nfs/dbraw/zinc/38/73/78/570387378.db2.gz GPPGDFHPEROKAL-UHFFFAOYSA-N 0 0 390.826 5.414 50 0 GKAARN Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC(C)C)c1C ZINC000004614248 570387622 /nfs/dbraw/zinc/38/76/22/570387622.db2.gz 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ZINC000024631169 570388415 /nfs/dbraw/zinc/38/84/15/570388415.db2.gz OEGRPASROXVSHW-UHFFFAOYSA-N 0 0 393.515 6.074 50 0 GKAARN Cc1cccc(NC2=C[C@@H](c3ccc(C(C)C)cc3)N(c3cccc(C)c3)C2=O)c1 ZINC000004628729 570388662 /nfs/dbraw/zinc/38/86/62/570388662.db2.gz UQJVXSHRNNOGNJ-SANMLTNESA-N 0 0 396.534 6.511 50 0 GKAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(F)c2)n2c3ccccc3nc2N1 ZINC000004632155 570389028 /nfs/dbraw/zinc/38/90/28/570389028.db2.gz YBIDUUCWECDALA-JOCHJYFZSA-N 0 0 398.441 5.103 50 0 GKAARN O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000004631437 570389059 /nfs/dbraw/zinc/38/90/59/570389059.db2.gz GMAKNXARZOCJCW-UHFFFAOYSA-N 0 0 377.532 5.766 50 0 GKAARN O=C(NC1CCCCC1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000035514264 570389202 /nfs/dbraw/zinc/38/92/02/570389202.db2.gz SLEOXDPLNFVNQX-UHFFFAOYSA-N 0 0 390.462 5.089 50 0 GKAARN Cc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000035515034 570389504 /nfs/dbraw/zinc/38/95/04/570389504.db2.gz WJAYNIYDLCLJEL-KRWDZBQOSA-N 0 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570396642 /nfs/dbraw/zinc/39/66/42/570396642.db2.gz RGRBNRIREJULIX-MRXNPFEDSA-N 0 0 385.471 5.034 50 0 GKAARN FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4cccnc4)n3)cc2)nc1 ZINC000004710490 570396872 /nfs/dbraw/zinc/39/68/72/570396872.db2.gz UUMVFRDNDDSUBR-UHFFFAOYSA-N 0 0 384.317 5.005 50 0 GKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(N4CCCC[C@@H]4C)n3)o2)c1 ZINC000035560824 570396873 /nfs/dbraw/zinc/39/68/73/570396873.db2.gz MTSIAUDSJIJEON-INIZCTEOSA-N 0 0 385.471 5.034 50 0 GKAARN N=C1S[C@H](c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1 ZINC000005017024 570397123 /nfs/dbraw/zinc/39/71/23/570397123.db2.gz LBLOJANXTVKNIY-MRXNPFEDSA-N 0 0 399.928 5.143 50 0 aggregator GKAARN Clc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000004713036 570397173 /nfs/dbraw/zinc/39/71/73/570397173.db2.gz QOSXKVNZPOEPHU-XAYULXIRSA-N 0 0 393.317 7.014 50 0 GKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4C)cs3)n2)cc1F ZINC000032955103 570397269 /nfs/dbraw/zinc/39/72/69/570397269.db2.gz OQCXARPFZXELOW-UHFFFAOYSA-N 0 0 396.512 6.365 50 0 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Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Nc3cccc(Cl)c3)c12 ZINC000032975754 570398600 /nfs/dbraw/zinc/39/86/00/570398600.db2.gz YBLZJQXUEUMPGA-UHFFFAOYSA-N 0 0 384.817 5.713 50 0 GKAARN O=C(COc1ccccc1F)Nc1sccc1-c1nc2ccccc2s1 ZINC000035590720 570398863 /nfs/dbraw/zinc/39/88/63/570398863.db2.gz RREBDOGRYGVHHP-UHFFFAOYSA-N 0 0 384.457 5.181 50 0 GKAARN CCN(CC)c1cc(C)c2cc(NC(=O)Nc3ccc(C)cc3C)ccc2n1 ZINC000032953961 570398990 /nfs/dbraw/zinc/39/89/90/570398990.db2.gz ZIUZUFLQVQMSSN-UHFFFAOYSA-N 0 0 376.504 5.650 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)o1 ZINC000033010799 570399288 /nfs/dbraw/zinc/39/92/88/570399288.db2.gz KMHSJKPPSAGORT-UHFFFAOYSA-N 0 0 398.466 5.027 50 0 GKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccccc4C)c3)ncn2)c1 ZINC000033010453 570399364 /nfs/dbraw/zinc/39/93/64/570399364.db2.gz UIGSYPQBFHMNHZ-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 ZINC000005025907 570399438 /nfs/dbraw/zinc/39/94/38/570399438.db2.gz 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ZINC000033036919 570400218 /nfs/dbraw/zinc/40/02/18/570400218.db2.gz BQOGHPSBVQUAOI-UHFFFAOYSA-N 0 0 384.454 5.588 50 0 GKAARN Cc1c(C(=O)N(C)Cc2ccc(C)cc2C)sc2nc(C3CC3)nc(C)c12 ZINC000024970056 570400253 /nfs/dbraw/zinc/40/02/53/570400253.db2.gz DXGTWRRLEHTOLA-UHFFFAOYSA-N 0 0 379.529 5.075 50 0 GKAARN CSc1cccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)c1 ZINC000005022666 570400313 /nfs/dbraw/zinc/40/03/13/570400313.db2.gz URWIKQKNRSQUKB-UHFFFAOYSA-N 0 0 397.500 5.415 50 0 GKAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 ZINC000005030870 570400523 /nfs/dbraw/zinc/40/05/23/570400523.db2.gz VZEDFCWIJYEVBP-CUNXSJBXSA-N 0 0 389.476 5.287 50 0 GKAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 ZINC000005030877 570400719 /nfs/dbraw/zinc/40/07/19/570400719.db2.gz VZEDFCWIJYEVBP-AJTFRIOCSA-N 0 0 389.476 5.287 50 0 GKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000004739177 570400770 /nfs/dbraw/zinc/40/07/70/570400770.db2.gz WRWOTLOWEFXTGU-UHFFFAOYSA-N 0 0 387.430 6.093 50 0 GKAARN COc1cccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3ccccc32)c1 ZINC000005028622 570401007 /nfs/dbraw/zinc/40/10/07/570401007.db2.gz JYMYLMOEFQNGJC-UHFFFAOYSA-N 0 0 379.463 5.568 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000005030204 570401035 /nfs/dbraw/zinc/40/10/35/570401035.db2.gz LGVQUMNDPLBPJX-NTEUORMPSA-N 0 0 397.865 5.691 50 0 GKAARN Cc1ccc(Cn2c(CCCC(=O)Nc3ccccc3C)nc3cccnc32)cc1 ZINC000033072667 570401078 /nfs/dbraw/zinc/40/10/78/570401078.db2.gz RYNHRXNCBGCQKS-UHFFFAOYSA-N 0 0 398.510 5.058 50 0 GKAARN COc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1cccc(F)c1 ZINC000005028593 570401161 /nfs/dbraw/zinc/40/11/61/570401161.db2.gz NGDYYNSGLPIQBS-UHFFFAOYSA-N 0 0 383.426 5.399 50 0 GKAARN Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1 ZINC000005028583 570401164 /nfs/dbraw/zinc/40/11/64/570401164.db2.gz JYAISVZEKBQWIU-UHFFFAOYSA-N 0 0 393.446 5.289 50 0 GKAARN COc1ccccc1Cn1cc2c(-c3ccc(C)cc3)nnc-2c2cc(F)ccc21 ZINC000005028619 570401213 /nfs/dbraw/zinc/40/12/13/570401213.db2.gz KZOHEYUWBWZEKP-UHFFFAOYSA-N 0 0 397.453 5.708 50 0 GKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 ZINC000006364996 570401719 /nfs/dbraw/zinc/40/17/19/570401719.db2.gz KIPAIQGCRZZYPD-CQSZACIVSA-N 0 0 397.928 5.237 50 0 GKAARN Cc1c(C)n(Cc2ccco2)c2ncnc(Oc3ccc(-c4ccccc4)cc3)c12 ZINC000024985391 570401747 /nfs/dbraw/zinc/40/17/47/570401747.db2.gz AAMYZWMMKIGKHQ-UHFFFAOYSA-N 0 0 395.462 6.149 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2ccc(Oc3ccccc3)nn2)c1 ZINC000033131104 570401894 /nfs/dbraw/zinc/40/18/94/570401894.db2.gz AMPFCIWSMOKWSI-UHFFFAOYSA-N 0 0 385.398 5.327 50 0 GKAARN O=C(Nc1c2ccccc2[nH]c1-c1cccnc1)Nc1ccccc1C(F)(F)F ZINC000033130706 570401913 /nfs/dbraw/zinc/40/19/13/570401913.db2.gz GZLKNEDWZGABIJ-UHFFFAOYSA-N 0 0 396.372 5.893 50 0 GKAARN O=C1C[C@H](c2ccccc2)Cc2nc(Nc3cccc(C(F)(F)F)c3)ncc21 ZINC000004747363 570402074 /nfs/dbraw/zinc/40/20/74/570402074.db2.gz ABELMSASMVSQQK-CQSZACIVSA-N 0 0 383.373 5.152 50 0 GKAARN Cc1[nH]c2ccccc2c1C1=C[C@]2(C)Nc3ccccc3[C@H]2[C@H](c2ccccc2)C1 ZINC000004749491 570402451 /nfs/dbraw/zinc/40/24/51/570402451.db2.gz HPJDJMWKYZODGJ-RNCAPKPVSA-N 0 0 390.530 7.015 50 0 GKAARN O=S(=O)(Cc1ccccc1F)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169154 570402594 /nfs/dbraw/zinc/40/25/94/570402594.db2.gz KAICQCKZKKYSIZ-UHFFFAOYSA-N 0 0 398.484 5.044 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1F ZINC000033169148 570402620 /nfs/dbraw/zinc/40/26/20/570402620.db2.gz KTDXKOCBAZSBKV-UHFFFAOYSA-N 0 0 398.484 5.212 50 0 GKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccs2)cc1 ZINC000005035559 570402642 /nfs/dbraw/zinc/40/26/42/570402642.db2.gz GSCRWGNQGLFXOC-UHFFFAOYSA-N 0 0 390.464 5.236 50 0 GKAARN Cc1ccc(CNC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000005036318 570402715 /nfs/dbraw/zinc/40/27/15/570402715.db2.gz ATMKZNHUHDUIFK-UHFFFAOYSA-N 0 0 394.927 5.643 50 0 GKAARN CCCCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1OC ZINC000004754867 570402999 /nfs/dbraw/zinc/40/29/99/570402999.db2.gz 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CCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1ccc(F)cc1 ZINC000005035050 570403629 /nfs/dbraw/zinc/40/36/29/570403629.db2.gz OMPPJZWRNXAMKI-UHFFFAOYSA-N 0 0 382.866 5.573 50 0 GKAARN Clc1ccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)cc1 ZINC000005035235 570403641 /nfs/dbraw/zinc/40/36/41/570403641.db2.gz CPMRFOHEZAJUJD-UHFFFAOYSA-N 0 0 399.885 5.253 50 0 GKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)cc1 ZINC000005035395 570403944 /nfs/dbraw/zinc/40/39/44/570403944.db2.gz AVZXCNHIVVJXPC-UHFFFAOYSA-N 0 0 388.398 5.385 50 0 GKAARN O=C(Cc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000005035471 570403981 /nfs/dbraw/zinc/40/39/81/570403981.db2.gz UOVHHCDRFRYORL-UHFFFAOYSA-N 0 0 388.398 5.005 50 0 GKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000004758668 570404090 /nfs/dbraw/zinc/40/40/90/570404090.db2.gz YOTURGHVOVHVEJ-YRNVUSSQSA-N 0 0 389.842 5.504 50 0 GKAARN Cc1ccc2nc(-c3cc(C)c(O)c(C)c3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000035622375 570404123 /nfs/dbraw/zinc/40/41/23/570404123.db2.gz IIYUSOONMOQBGY-UHFFFAOYSA-N 0 0 387.439 5.104 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn32)cc1Cl ZINC000035622637 570404271 /nfs/dbraw/zinc/40/42/71/570404271.db2.gz SCBPYUSBLZOTLU-UHFFFAOYSA-N 0 0 377.879 5.168 50 0 GKAARN CC(=O)c1cc(C)ccc1OC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000033714540 570404347 /nfs/dbraw/zinc/40/43/47/570404347.db2.gz QHJKKSCNZKOMIQ-UHFFFAOYSA-N 0 0 389.234 5.984 50 0 GKAARN Fc1ccc(/C=C\C2=NN(c3ccc(F)cc3F)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000033715188 570404372 /nfs/dbraw/zinc/40/43/72/570404372.db2.gz WRYLCPGCHLAZDS-RMIWUYOTSA-N 0 0 396.387 6.264 50 0 GKAARN Fc1ccc(/C=C\C2=NN(c3ccc(F)cc3F)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000033715189 570404450 /nfs/dbraw/zinc/40/44/50/570404450.db2.gz WRYLCPGCHLAZDS-TYPDKNTRSA-N 0 0 396.387 6.264 50 0 GKAARN CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc1 ZINC000006396230 570404647 /nfs/dbraw/zinc/40/46/47/570404647.db2.gz FSBPXMYOTMMGSB-MGPUTAFESA-N 0 0 398.572 6.117 50 0 GKAARN COc1ccccc1-c1cc(CSc2nccn2-c2cccc(C)c2)on1 ZINC000025057817 570404746 /nfs/dbraw/zinc/40/47/46/570404746.db2.gz QPMAPKFMUZQWFK-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1 ZINC000025055503 570404773 /nfs/dbraw/zinc/40/47/73/570404773.db2.gz JLTRZEGTEHESDS-OPAMFIHVSA-N 0 0 376.431 5.049 50 0 GKAARN CCOc1ccccc1N(C)C(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005048829 570404857 /nfs/dbraw/zinc/40/48/57/570404857.db2.gz BNULKHUMEBAIBL-UHFFFAOYSA-N 0 0 379.481 5.291 50 0 GKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000006401401 570404912 /nfs/dbraw/zinc/40/49/12/570404912.db2.gz NJMNQORDBDTEPB-NRFANRHFSA-N 0 0 395.506 5.108 50 0 GKAARN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000004776921 570404974 /nfs/dbraw/zinc/40/49/74/570404974.db2.gz NGEIVCREGMWGOV-DEOSSOPVSA-N 0 0 393.490 5.981 50 0 GKAARN Cc1cccc2c(C(=O)NCc3cccnc3)cc(-c3ccc(Cl)cc3)nc12 ZINC000006401600 570405106 /nfs/dbraw/zinc/40/51/06/570405106.db2.gz VFBRBHOJAHRCPT-UHFFFAOYSA-N 0 0 387.870 5.189 50 0 GKAARN CC(C)c1ccc(-c2nc(C(=O)Nc3cccc(-c4nnco4)c3)cs2)cc1 ZINC000024740611 570405277 /nfs/dbraw/zinc/40/52/77/570405277.db2.gz JTQSTWLXTFNCHU-UHFFFAOYSA-N 0 0 390.468 5.236 50 0 GKAARN COc1ccc(-c2csc(Cc3nc(-c4ccccc4Cl)no3)n2)cc1 ZINC000033298260 570405351 /nfs/dbraw/zinc/40/53/51/570405351.db2.gz SADQYTAYURPKGD-UHFFFAOYSA-N 0 0 383.860 5.113 50 0 GKAARN Cc1nc2ccc(NC(=O)NC3c4ccccc4Oc4ccccc43)cc2s1 ZINC000004783815 570405402 /nfs/dbraw/zinc/40/54/02/570405402.db2.gz BGZRCXSMXLVLIY-UHFFFAOYSA-N 0 0 387.464 5.622 50 0 GKAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)Nc1ccccc1C ZINC000033290139 570405977 /nfs/dbraw/zinc/40/59/77/570405977.db2.gz ZFTJEZOKOXJLGG-UHFFFAOYSA-N 0 0 392.571 5.413 50 0 GKAARN CC(C)c1ccc2oc(-c3cc(NC(=O)c4cccnc4)ccc3Cl)nc2c1 ZINC000004803629 570406367 /nfs/dbraw/zinc/40/63/67/570406367.db2.gz TVAZEDFZMIYYRX-UHFFFAOYSA-N 0 0 391.858 5.919 50 0 GKAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2ccc(F)c(Cl)c2)no1 ZINC000033331494 570406777 /nfs/dbraw/zinc/40/67/77/570406777.db2.gz 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/nfs/dbraw/zinc/40/92/94/570409294.db2.gz CLRIWFQESXKQNH-UHFFFAOYSA-N 0 0 382.514 5.232 50 0 GKAARN O=C(c1cc(-c2ccccc2)nc2ccc(Br)cc21)N1CCCCC1 ZINC000004832355 570409463 /nfs/dbraw/zinc/40/94/63/570409463.db2.gz WXXRKZXSTFMJTE-UHFFFAOYSA-N 0 0 395.300 5.290 50 0 GKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004837395 570409830 /nfs/dbraw/zinc/40/98/30/570409830.db2.gz GHLJPSFJLPAPMK-IFMALSPDSA-N 0 0 395.289 6.236 50 0 GKAARN CCc1ccc2oc(-c3cc(NC(=O)c4ccc(OC)cc4)ccc3O)nc2c1 ZINC000004837937 570410069 /nfs/dbraw/zinc/41/00/69/570410069.db2.gz OWFQTWPCMCXEMP-UHFFFAOYSA-N 0 0 388.423 5.024 50 0 GKAARN CCCCc1cc(=O)oc2cc(OC(=O)c3cccc(OC)c3)c(Cl)cc12 ZINC000005067030 570410235 /nfs/dbraw/zinc/41/02/35/570410235.db2.gz MKYVAQPWVRCMIL-UHFFFAOYSA-N 0 0 386.831 5.017 50 0 GKAARN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc4ccccc4c3)n[nH]2)cc1Cl ZINC000072238538 570410779 /nfs/dbraw/zinc/41/07/79/570410779.db2.gz SRJBOKOKXJQFCP-UHFFFAOYSA-N 0 0 377.831 5.150 50 0 GKAARN Cc1ccc(-c2nnc(COc3ccc(-c4cnc5ccccc5n4)cc3)o2)cc1 ZINC000004842794 570411268 /nfs/dbraw/zinc/41/12/68/570411268.db2.gz CBOFZCKSFQRPOP-UHFFFAOYSA-N 0 0 394.434 5.234 50 0 GKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000035671346 570411390 /nfs/dbraw/zinc/41/13/90/570411390.db2.gz LQJRSAUFWDYFEH-OAHLLOKOSA-N 0 0 395.528 5.510 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000004844774 570411585 /nfs/dbraw/zinc/41/15/85/570411585.db2.gz WKGIHMAPLXLARP-UHFFFAOYSA-N 0 0 395.871 5.274 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)sc2ncn(C3CCCCC3)c(=O)c12 ZINC000035672150 570411807 /nfs/dbraw/zinc/41/18/07/570411807.db2.gz RQOTWCRMZHQKSK-UHFFFAOYSA-N 0 0 395.528 5.141 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000035673011 570412151 /nfs/dbraw/zinc/41/21/51/570412151.db2.gz PZFNLXPQJCPUOB-UHFFFAOYSA-N 0 0 393.314 5.050 50 0 GKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCCCC2)cc1 ZINC000004854038 570412420 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COc1ccccc1/C=C1\SC(=Nc2ccccc2)N(C2CCCC2)C1=O ZINC000033851518 570420267 /nfs/dbraw/zinc/42/02/67/570420267.db2.gz KIDVENPRLZSWAT-SPDSTVKKSA-N 0 0 378.497 5.242 50 0 GKAARN COc1ccc2o/c(=N\c3ccc(F)cc3)c(C(=O)Nc3ccccc3)cc2c1 ZINC000005125654 570421061 /nfs/dbraw/zinc/42/10/61/570421061.db2.gz VRQILGFURNRREU-RWEWTDSWSA-N 0 0 388.398 5.065 50 0 GKAARN COc1ccc2o/c(=N\c3cccc(F)c3)c(C(=O)Nc3ccccc3)cc2c1 ZINC000005125655 570421119 /nfs/dbraw/zinc/42/11/19/570421119.db2.gz YTLYGFYCRWKYDR-RWEWTDSWSA-N 0 0 388.398 5.065 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006440279 570421130 /nfs/dbraw/zinc/42/11/30/570421130.db2.gz IJCJYOOCBRTORT-CYBMUJFWSA-N 0 0 388.294 7.019 50 0 GKAARN COc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3nc2C)C2CC2)cc1 ZINC000025962419 570421220 /nfs/dbraw/zinc/42/12/20/570421220.db2.gz SHNWHBACCWHLCV-UHFFFAOYSA-N 0 0 380.875 5.010 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(Cl)c1Cl ZINC000005125931 570421367 /nfs/dbraw/zinc/42/13/67/570421367.db2.gz 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O=C(Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1Cl ZINC000001782060 570423727 /nfs/dbraw/zinc/42/37/27/570423727.db2.gz TZVKQFXAEANTAW-UHFFFAOYSA-N 0 0 376.795 5.333 50 0 biogenic GKAARN O=C1Nc2ccc(Cl)cc2C1(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000005013442 570423716 /nfs/dbraw/zinc/42/37/16/570423716.db2.gz KQTQQJVFFASAJD-UHFFFAOYSA-N 0 0 397.865 5.589 50 0 GKAARN Cc1c(C(=O)NCc2ccccc2Cl)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000005135558 570424000 /nfs/dbraw/zinc/42/40/00/570424000.db2.gz LYKVCKFUWVFBQY-UHFFFAOYSA-N 0 0 397.858 5.068 50 0 GKAARN CCn1c(C(=O)NCc2cccc(Br)c2)cc2oc3ccccc3c21 ZINC000005135181 570424039 /nfs/dbraw/zinc/42/40/39/570424039.db2.gz RMUNIOVHAXNNHB-UHFFFAOYSA-N 0 0 397.272 5.100 50 0 GKAARN CCn1c(C(=O)NCc2ccccc2Br)cc2oc3ccccc3c21 ZINC000005135182 570424166 /nfs/dbraw/zinc/42/41/66/570424166.db2.gz AJHISXHLIWFETN-UHFFFAOYSA-N 0 0 397.272 5.100 50 0 aggregator GKAARN CC[C@H]1CCc2c(sc3c2C(=O)N(C2CC2)[C@H](c2ccc(Cl)cc2)N3)C1 ZINC000006450039 570424363 /nfs/dbraw/zinc/42/43/63/570424363.db2.gz LYTCTAPCLJPVLG-HXPMCKFVSA-N 0 0 386.948 5.645 50 0 GKAARN CCCCCC(=O)N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000001787071 570424706 /nfs/dbraw/zinc/42/47/06/570424706.db2.gz KLOHAWSOQRAXGS-QGZVFWFLSA-N 0 0 387.738 5.645 50 0 GKAARN CCCc1ccc(OCCCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000001787227 570424798 /nfs/dbraw/zinc/42/47/98/570424798.db2.gz BRRWPHROEAFMKE-UHFFFAOYSA-N 0 0 390.321 5.508 50 0 GKAARN CCCOc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001788385 570424854 /nfs/dbraw/zinc/42/48/54/570424854.db2.gz VMNWQCRITOHSGB-UHFFFAOYSA-N 0 0 375.218 5.137 50 0 GKAARN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000005030443 570425195 /nfs/dbraw/zinc/42/51/95/570425195.db2.gz IARNAXYTVOSJDY-UHFFFAOYSA-N 0 0 386.451 5.926 50 0 GKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OC/C=C/c3ccccc3)cc2o1 ZINC000001797479 570425409 /nfs/dbraw/zinc/42/54/09/570425409.db2.gz ZBFKYACNQXHHJD-JXMROGBWSA-N 0 0 388.850 6.206 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc2ccccc2o1 ZINC000005046824 570425810 /nfs/dbraw/zinc/42/58/10/570425810.db2.gz VGQFUMSXYCRTFQ-UHFFFAOYSA-N 0 0 384.391 5.502 50 0 GKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 ZINC000005046743 570425852 /nfs/dbraw/zinc/42/58/52/570425852.db2.gz GFHJONRBTHWSPA-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccc(F)c1 ZINC000005046808 570425959 /nfs/dbraw/zinc/42/59/59/570425959.db2.gz XVNDLTNZGBHBAK-UHFFFAOYSA-N 0 0 382.847 6.008 50 0 GKAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1cc(C)ccc1C ZINC000005141790 570425986 /nfs/dbraw/zinc/42/59/86/570425986.db2.gz LRQXLKWLUBCHFX-UHFFFAOYSA-N 0 0 379.550 6.304 50 0 GKAARN Cc1ccc(F)cc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000005048805 570426108 /nfs/dbraw/zinc/42/61/08/570426108.db2.gz QAYFOBNAXNIQRT-UHFFFAOYSA-N 0 0 390.845 6.255 50 0 GKAARN N=c1scc(-c2cccc3ccccc32)n1C(=O)Nc1ccccc1Cl ZINC000006455344 570426114 /nfs/dbraw/zinc/42/61/14/570426114.db2.gz NBOKETYHZHXUDQ-UHFFFAOYSA-N 0 0 379.872 5.583 50 0 GKAARN CC[C@H](NC(=O)c1cc(-c2ccccc2OC)nc2ccccc21)c1ccccc1 ZINC000005048376 570426209 /nfs/dbraw/zinc/42/62/09/570426209.db2.gz HSKDTZOGAJMLCN-QFIPXVFZSA-N 0 0 396.490 5.792 50 0 GKAARN CCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000001804685 570426247 /nfs/dbraw/zinc/42/62/47/570426247.db2.gz FSFJIXCGOSOYFF-UHFFFAOYSA-N 0 0 388.540 5.632 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)/C(Br)=C/c1ccccc1 ZINC000001809180 570426346 /nfs/dbraw/zinc/42/63/46/570426346.db2.gz BCEZMCXXAYLZSO-UYRXBGFRSA-N 0 0 386.333 6.308 50 0 GKAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(C)c2)cc1 ZINC000026532459 570426471 /nfs/dbraw/zinc/42/64/71/570426471.db2.gz SMOGLNYIAGPKOV-UHFFFAOYSA-N 0 0 384.435 5.554 50 0 GKAARN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3cccc(F)c3)c3cc(C)ccc32)cc1 ZINC000005051528 570426574 /nfs/dbraw/zinc/42/65/74/570426574.db2.gz WEFYLRFNYYBUNY-MBSDFSHPSA-N 0 0 388.486 6.035 50 0 GKAARN O=C(NCCn1c2ccccc2nc1-c1ccccc1)Nc1ccccc1Cl ZINC000032951307 570426674 /nfs/dbraw/zinc/42/66/74/570426674.db2.gz BNZOLUCNZHGOES-UHFFFAOYSA-N 0 0 390.874 5.178 50 0 GKAARN Clc1ccccc1CNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000005055213 570427059 /nfs/dbraw/zinc/42/70/59/570427059.db2.gz BJBOOCAHNMZJRG-UHFFFAOYSA-N 0 0 385.858 5.210 50 0 GKAARN Cc1ccc([C@H](Nc2cccc(C(F)(F)F)c2)[P@]2(=O)OCC[C@H](C)O2)cc1 ZINC000005060752 570427276 /nfs/dbraw/zinc/42/72/76/570427276.db2.gz IPQXNSMHILAWLJ-XWPFZBMNSA-N 0 0 399.349 6.143 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000005060170 570427304 /nfs/dbraw/zinc/42/73/04/570427304.db2.gz WYOQBGUMDWHXBI-UHFFFAOYSA-N 0 0 383.831 5.402 50 0 GKAARN CC(=O)COc1cccc2ccc(/C=C/c3ccc(Br)s3)nc21 ZINC000005059759 570427321 /nfs/dbraw/zinc/42/73/21/570427321.db2.gz LQKIIDYXHIWPNR-BQYQJAHWSA-N 0 0 388.286 5.197 50 0 GKAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000026688238 570427875 /nfs/dbraw/zinc/42/78/75/570427875.db2.gz HYLLTMHJIYJKBS-UHFFFAOYSA-N 0 0 383.495 5.860 50 0 GKAARN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1Cl ZINC000005068809 570428107 /nfs/dbraw/zinc/42/81/07/570428107.db2.gz CKHIYCUXWDPOBD-UHFFFAOYSA-N 0 0 379.287 5.245 50 0 GKAARN Fc1ccccc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 ZINC000005071903 570428119 /nfs/dbraw/zinc/42/81/19/570428119.db2.gz INIPRPDLYNBMPC-UHFFFAOYSA-N 0 0 386.455 5.109 50 0 GKAARN CC[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(C)cc1 ZINC000026748575 570428313 /nfs/dbraw/zinc/42/83/13/570428313.db2.gz HKKSVNZHIGHQOQ-LJQANCHMSA-N 0 0 384.426 5.128 50 0 GKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2cccc(F)c2)cc1OC ZINC000005073963 570428377 /nfs/dbraw/zinc/42/83/77/570428377.db2.gz JMFXEZJLWLEQDC-OAQYLSRUSA-N 0 0 394.421 5.338 50 0 GKAARN Fc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000005073967 570428382 /nfs/dbraw/zinc/42/83/82/570428382.db2.gz SPSKATNVXSNGNC-NRFANRHFSA-N 0 0 385.269 6.488 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3)c(C)c12 ZINC000005150788 570428548 /nfs/dbraw/zinc/42/85/48/570428548.db2.gz RHRFGGOKWVIODA-UHFFFAOYSA-N 0 0 398.510 5.225 50 0 GKAARN O=c1[nH]c(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000005093090 570428918 /nfs/dbraw/zinc/42/89/18/570428918.db2.gz SVGIAZJUVOWFQX-UHFFFAOYSA-N 0 0 388.536 5.487 50 0 biogenic GKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1sc2ccccc2c1Cl ZINC000005092215 570428958 /nfs/dbraw/zinc/42/89/58/570428958.db2.gz FJLNKSDKDWBLBW-UHFFFAOYSA-N 0 0 377.852 6.706 50 0 GKAARN Fc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1 ZINC000005098416 570429152 /nfs/dbraw/zinc/42/91/52/570429152.db2.gz UCOKWBKKKNDAEN-UHFFFAOYSA-N 0 0 386.455 5.109 50 0 GKAARN CCCCSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)n1C ZINC000032952764 570430311 /nfs/dbraw/zinc/43/03/11/570430311.db2.gz SJFPYTSHGBDMNO-UHFFFAOYSA-N 0 0 397.978 5.061 50 0 GKAARN CCc1ccc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1 ZINC000005147163 570430372 /nfs/dbraw/zinc/43/03/72/570430372.db2.gz MBZYGVXHYUTVMO-UHFFFAOYSA-N 0 0 375.497 5.115 50 0 GKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)c1ccccc1F ZINC000022652111 570430455 /nfs/dbraw/zinc/43/04/55/570430455.db2.gz ZJOMCOXCMKQHTP-CYBMUJFWSA-N 0 0 391.508 5.856 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000005177251 570430653 /nfs/dbraw/zinc/43/06/53/570430653.db2.gz BFGQLLASWSAPRQ-UHFFFAOYSA-N 0 0 396.805 5.548 50 0 GKAARN Cc1cc(=O)[nH]c(SCc2ccc(/C=C/c3c(F)cccc3Cl)cc2)n1 ZINC000005176522 570430660 /nfs/dbraw/zinc/43/06/60/570430660.db2.gz RBHFSRKEDJGCIL-MDZDMXLPSA-N 0 0 386.879 5.334 50 0 GKAARN O=C(Nc1sc(-c2cccnc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027020959 570431056 /nfs/dbraw/zinc/43/10/56/570431056.db2.gz WRKBYBLCXGZRQO-UHFFFAOYSA-N 0 0 393.418 5.403 50 0 GKAARN CCOC(=O)c1c(NC(=O)[C@@H](C)CC)sc2c1CC[C@H](c1ccccc1)C2 ZINC000022652503 570431028 /nfs/dbraw/zinc/43/10/28/570431028.db2.gz ZOLWGMGQNRTQSK-HOCLYGCPSA-N 0 0 385.529 5.182 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000005194431 570431210 /nfs/dbraw/zinc/43/12/10/570431210.db2.gz UEKKVOLFXSXNMK-FYYLOGMGSA-N 0 0 392.861 6.030 50 0 GKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005248975 570432417 /nfs/dbraw/zinc/43/24/17/570432417.db2.gz QRLXAPQVRKIHEC-QHCPKHFHSA-N 0 0 383.426 5.274 50 0 GKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000027278444 570432750 /nfs/dbraw/zinc/43/27/50/570432750.db2.gz IEWQRUFLIIEEKQ-QGZVFWFLSA-N 0 0 383.904 5.144 50 0 GKAARN Cc1ccc(-c2csc3nc(-c4ccccc4)c(-c4ccccc4)n23)c(C)c1 ZINC000005313472 570433645 /nfs/dbraw/zinc/43/36/45/570433645.db2.gz GFFZZLSHVHMKGF-UHFFFAOYSA-N 0 0 380.516 7.014 50 0 GKAARN CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000005314255 570433650 /nfs/dbraw/zinc/43/36/50/570433650.db2.gz GQBHYWDCHSZDQU-UHFFFAOYSA-N 0 0 393.659 8.858 50 0 GKAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc(F)c(F)c1 ZINC000005156061 570433700 /nfs/dbraw/zinc/43/37/00/570433700.db2.gz WZJORZGLZBGNBI-UHFFFAOYSA-N 0 0 398.456 5.056 50 0 GKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc12 ZINC000032953725 570433784 /nfs/dbraw/zinc/43/37/84/570433784.db2.gz NEEATJBCYLRYMO-UHFFFAOYSA-N 0 0 394.906 5.831 50 0 GKAARN CC(C)c1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1 ZINC000038919418 570433842 /nfs/dbraw/zinc/43/38/42/570433842.db2.gz QLSSVSVXAWCHKQ-INIZCTEOSA-N 0 0 381.863 5.034 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1F ZINC000032953787 570433897 /nfs/dbraw/zinc/43/38/97/570433897.db2.gz ZBAVJNYGEPERAO-UHFFFAOYSA-N 0 0 392.478 5.625 50 0 GKAARN Cc1nn2c(nc(-c3ccncc3)cc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000005355072 570434795 /nfs/dbraw/zinc/43/47/95/570434795.db2.gz YUDBJRYJUZCORQ-UHFFFAOYSA-N 0 0 388.780 5.439 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000100712775 570435214 /nfs/dbraw/zinc/43/52/14/570435214.db2.gz SLMCRVZHKWTHCI-FQEVSTJZSA-N 0 0 387.310 6.865 50 0 GKAARN COc1ccc(C2=C(Oc3cccc(C)c3)c3ccc(OC)cc3[S@]2=O)cc1 ZINC000248004834 570435250 /nfs/dbraw/zinc/43/52/50/570435250.db2.gz VCLMFABCCMMMHP-MUUNZHRXSA-N 0 0 392.476 5.038 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Nc3nc4c(cc(C)cc4C)s3)no2)cc1 ZINC000027579971 570435920 /nfs/dbraw/zinc/43/59/20/570435920.db2.gz KNCZFEZZDRYIKH-UHFFFAOYSA-N 0 0 393.468 5.219 50 0 GKAARN O=C(Nc1cccc(C2SCCS2)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000070010350 570435951 /nfs/dbraw/zinc/43/59/51/570435951.db2.gz BCTUFQZUOFDSCO-UHFFFAOYSA-N 0 0 398.553 5.192 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)Nc3nc4c(cc(F)cc4F)s3)o2)cc1 ZINC000011807684 570436157 /nfs/dbraw/zinc/43/61/57/570436157.db2.gz KGOICTBJOGUEBU-UHFFFAOYSA-N 0 0 399.422 5.109 50 0 GKAARN CCCCCOc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 ZINC000027581134 570436638 /nfs/dbraw/zinc/43/66/38/570436638.db2.gz NXMVDLYFCCVEQI-UHFFFAOYSA-N 0 0 380.513 5.559 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccccn3)no2)cc1C ZINC000027583590 570436783 /nfs/dbraw/zinc/43/67/83/570436783.db2.gz MVKMLXNPKYAZDW-UHFFFAOYSA-N 0 0 383.451 5.200 50 0 GKAARN Cc1cc(NCCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585647 570437169 /nfs/dbraw/zinc/43/71/69/570437169.db2.gz CQDAMHJVDKRMHD-UHFFFAOYSA-N 0 0 396.416 5.378 50 0 GKAARN Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585686 570437200 /nfs/dbraw/zinc/43/72/00/570437200.db2.gz CAARCBMMJGGZCL-UHFFFAOYSA-N 0 0 386.352 5.606 50 0 GKAARN O=C(Nc1cnc2ccccc2c1)c1ccccc1SCc1ccc(F)cc1 ZINC000005395236 570437451 /nfs/dbraw/zinc/43/74/51/570437451.db2.gz BIDMSIFLYOIGIA-UHFFFAOYSA-N 0 0 388.467 5.919 50 0 GKAARN CCc1ccc2oc(=O)cc(-c3oc4ccc(Br)cc4c3C)c2c1 ZINC000005156799 570437484 /nfs/dbraw/zinc/43/74/84/570437484.db2.gz XZUHTLJLKKCWGU-UHFFFAOYSA-N 0 0 383.241 5.840 50 0 GKAARN Cc1cc2cc(N[C@H](C)c3nnc(-c4ccc(Cl)cc4Cl)o3)ccc2[nH]1 ZINC000124129524 570437503 /nfs/dbraw/zinc/43/75/03/570437503.db2.gz QREODGLHDXGKQE-LLVKDONJSA-N 0 0 387.270 6.006 50 0 GKAARN C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2cccc(Cl)c2)S1 ZINC000001856211 570437505 /nfs/dbraw/zinc/43/75/05/570437505.db2.gz PVRQPOJKMCLIQD-NSHDSACASA-N 0 0 380.300 5.523 50 0 GKAARN Cc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1 ZINC000001850590 570437591 /nfs/dbraw/zinc/43/75/91/570437591.db2.gz OFENYLOKQZSAPX-UHFFFAOYSA-N 0 0 395.439 6.907 50 0 GKAARN CC(C)c1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 ZINC000005157213 570438336 /nfs/dbraw/zinc/43/83/36/570438336.db2.gz HMPQQBSPFTVCGV-UHFFFAOYSA-N 0 0 383.447 5.836 50 0 GKAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1Cl ZINC000027663508 570439172 /nfs/dbraw/zinc/43/91/72/570439172.db2.gz XREDGFBCBNIFFT-UHFFFAOYSA-N 0 0 394.254 5.421 50 0 GKAARN COc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1C ZINC000027664352 570439641 /nfs/dbraw/zinc/43/96/41/570439641.db2.gz BTCRXFGWZMOHBP-UHFFFAOYSA-N 0 0 397.818 5.014 50 0 GKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1F ZINC000032955113 570440147 /nfs/dbraw/zinc/44/01/47/570440147.db2.gz NJVOLQRTTPWJNP-UHFFFAOYSA-N 0 0 382.485 6.057 50 0 GKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(F)c4)cs3)n2)cc1 ZINC000032955115 570440222 /nfs/dbraw/zinc/44/02/22/570440222.db2.gz WTKFCDOVDMXCTK-UHFFFAOYSA-N 0 0 398.484 5.757 50 0 GKAARN FC(F)(F)C1(C(F)(F)F)OC(c2ccccc2)=Nc2ccc3ccccc3c21 ZINC000001902914 570440527 /nfs/dbraw/zinc/44/05/27/570440527.db2.gz BLPQTNCOQFJDBM-UHFFFAOYSA-N 0 0 395.302 6.268 50 0 GKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000005469693 570441233 /nfs/dbraw/zinc/44/12/33/570441233.db2.gz LZBHSVAGOMLYBQ-WMLDXEAASA-N 0 0 377.307 5.180 50 0 GKAARN Clc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)cc1 ZINC000005478612 570441646 /nfs/dbraw/zinc/44/16/46/570441646.db2.gz KAVZMHDCHYFNDE-UHFFFAOYSA-N 0 0 381.675 5.480 50 0 GKAARN CC(C)Oc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000027747055 570441673 /nfs/dbraw/zinc/44/16/73/570441673.db2.gz ULSFYZWFZYVQPI-HSZRJFAPSA-N 0 0 398.506 5.517 50 0 GKAARN CCOc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000027747042 570441732 /nfs/dbraw/zinc/44/17/32/570441732.db2.gz PJENWSLHXDSDPO-JOCHJYFZSA-N 0 0 384.479 5.129 50 0 GKAARN O=C(Nc1nc2ccc(F)cc2s1)c1sc2cc(F)ccc2c1Cl ZINC000027750306 570442031 /nfs/dbraw/zinc/44/20/31/570442031.db2.gz 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ZINC000064472764 570466684 /nfs/dbraw/zinc/46/66/84/570466684.db2.gz AFCVICSYSDEKMV-UHFFFAOYSA-N 0 0 384.932 5.922 50 0 GKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)C(C)C)cc3)n2)cc1 ZINC000064471524 570466937 /nfs/dbraw/zinc/46/69/37/570466937.db2.gz JIDIJVYMQDGEQG-UHFFFAOYSA-N 0 0 375.476 5.175 50 0 GKAARN Cc1ccc(C)c(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c1 ZINC000064471604 570467076 /nfs/dbraw/zinc/46/70/76/570467076.db2.gz BYSQRBARTIVMMW-UHFFFAOYSA-N 0 0 377.463 5.360 50 0 GKAARN Cc1c(Cl)cccc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc21 ZINC000064471764 570467301 /nfs/dbraw/zinc/46/73/01/570467301.db2.gz MDDYHWNMHPAZCO-UHFFFAOYSA-N 0 0 397.931 5.129 50 0 GKAARN CCc1cccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000064472535 570467359 /nfs/dbraw/zinc/46/73/59/570467359.db2.gz QWBZOAONQMHFGQ-UHFFFAOYSA-N 0 0 386.520 6.329 50 0 GKAARN O=C(NCc1ccccc1Cl)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472482 570467504 /nfs/dbraw/zinc/46/75/04/570467504.db2.gz TXWSAAHXERFLJT-UHFFFAOYSA-N 0 0 392.911 5.789 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3cccc(C)c3C)c2-n2cccc2)cc1 ZINC000064472528 570467519 /nfs/dbraw/zinc/46/75/19/570467519.db2.gz DCADULRFBMZDNT-UHFFFAOYSA-N 0 0 386.520 6.383 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(Cl)cc3)c2-n2cccc2)cc1 ZINC000064472572 570467608 /nfs/dbraw/zinc/46/76/08/570467608.db2.gz ONJIRXFFDJMJKF-UHFFFAOYSA-N 0 0 392.911 6.420 50 0 GKAARN CC(C)c1ccc([C@@H](C)NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 ZINC000029086656 570468155 /nfs/dbraw/zinc/46/81/55/570468155.db2.gz SGYDGQYIZGCEDR-OAHLLOKOSA-N 0 0 398.453 5.553 50 0 GKAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000029098717 570468559 /nfs/dbraw/zinc/46/85/59/570468559.db2.gz QPKFFWGWOWDVFS-MJGOQNOKSA-N 0 0 396.490 5.046 50 0 GKAARN O=C(Nc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1)C1CC1 ZINC000029169059 570469980 /nfs/dbraw/zinc/46/99/80/570469980.db2.gz SASUZWBPMKWZSB-UHFFFAOYSA-N 0 0 382.891 5.139 50 0 GKAARN FC(F)(F)c1cc(N2C(=S)N=NC2c2cccc(Cl)c2)ccc1Cl ZINC000006189132 570471461 /nfs/dbraw/zinc/47/14/61/570471461.db2.gz GCUBJZZIEBUPIK-UHFFFAOYSA-N 0 0 390.217 5.549 50 0 GKAARN S=c1sc(SCc2nnc(-c3ccccc3)o2)nn1-c1ccccc1 ZINC000006543230 570471807 /nfs/dbraw/zinc/47/18/07/570471807.db2.gz RTJQCXOTHJHNSI-UHFFFAOYSA-N 0 0 384.511 5.006 50 0 GKAARN O=C(OCc1coc(-c2ccccc2Cl)n1)c1[nH]c2ccccc2c1Cl ZINC000064494465 570471831 /nfs/dbraw/zinc/47/18/31/570471831.db2.gz DJJJFUBGIMKXLJ-UHFFFAOYSA-N 0 0 387.222 5.487 50 0 GKAARN Cc1ccc([C@@H](CC(=O)N2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000035888475 570472192 /nfs/dbraw/zinc/47/21/92/570472192.db2.gz HRUOBWBCTXAMLO-XMMPIXPASA-N 0 0 394.518 5.583 50 0 GKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000029427342 570473887 /nfs/dbraw/zinc/47/38/87/570473887.db2.gz DCSAIHJNCMFZTE-KRWDZBQOSA-N 0 0 375.516 5.163 50 0 GKAARN c1ccc(CCc2nc3sc4c(c3c(N3CCCC3)n2)CCCCC4)cc1 ZINC000035892958 570474366 /nfs/dbraw/zinc/47/43/66/570474366.db2.gz LQTVTMZMGYDIBS-UHFFFAOYSA-N 0 0 377.557 5.346 50 0 GKAARN O=C(Nc1ccc(OC(=O)c2cc(Cl)ccc2F)cc1)c1cccs1 ZINC000029476473 570474388 /nfs/dbraw/zinc/47/43/88/570474388.db2.gz OVHDLHBUCUOTRW-UHFFFAOYSA-N 0 0 375.808 5.012 50 0 GKAARN CC[C@@H](CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1 ZINC000029542985 570475902 /nfs/dbraw/zinc/47/59/02/570475902.db2.gz NVRBPPMVOACDNC-INIZCTEOSA-N 0 0 382.554 5.359 50 0 GKAARN Cc1cc(C)c2c(nn3c2nc(C)cc3NCc2ccc(Cl)cc2Cl)n1 ZINC000002360610 570476034 /nfs/dbraw/zinc/47/60/34/570476034.db2.gz YUDKHVUTGNXNCM-UHFFFAOYSA-N 0 0 386.286 5.122 50 0 GKAARN CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000006559862 570476971 /nfs/dbraw/zinc/47/69/71/570476971.db2.gz HYTQKVNOYQILRC-UHFFFAOYSA-N 0 0 392.524 5.087 50 0 GKAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000006321618 570476983 /nfs/dbraw/zinc/47/69/83/570476983.db2.gz UKOHEWLQXWXKOR-PXNSSMCTSA-N 0 0 384.863 5.783 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006331455 570477335 /nfs/dbraw/zinc/47/73/35/570477335.db2.gz 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Cc1nc(Cc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cs1 ZINC000026981940 570480616 /nfs/dbraw/zinc/48/06/16/570480616.db2.gz KYMVAISFXZSMBN-UHFFFAOYSA-N 0 0 391.521 5.418 50 0 GKAARN CC(C)(C)c1ccc(C2N=NC(=S)N2c2cccc(Cl)c2Cl)cc1 ZINC000006459321 570480678 /nfs/dbraw/zinc/48/06/78/570480678.db2.gz FDKFYCACYSNOOT-UHFFFAOYSA-N 0 0 378.328 5.827 50 0 GKAARN Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1 ZINC000002407713 570481903 /nfs/dbraw/zinc/48/19/03/570481903.db2.gz XJOJINQRNMZPLL-HXUWFJFHSA-N 0 0 399.494 5.073 50 0 GKAARN Cc1ccccc1NC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022659385 570483051 /nfs/dbraw/zinc/48/30/51/570483051.db2.gz QYQZTNLAPJPGCD-UHFFFAOYSA-N 0 0 384.523 6.149 50 0 GKAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4ccccc4)cc3)ncn2)c1 ZINC000064568588 570483600 /nfs/dbraw/zinc/48/36/00/570483600.db2.gz QTMMYOAANQQNBK-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3ccc(F)cc3)c2c1 ZINC000064568467 570483633 /nfs/dbraw/zinc/48/36/33/570483633.db2.gz 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570487154 /nfs/dbraw/zinc/48/71/54/570487154.db2.gz ZZQNFTPVSSPZOP-UHFFFAOYSA-N 0 0 395.911 5.934 50 0 GKAARN O=C(NCc1ccc(F)cc1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578563 570487147 /nfs/dbraw/zinc/48/71/47/570487147.db2.gz FZIORKPBFRTMLD-UHFFFAOYSA-N 0 0 399.425 5.005 50 0 GKAARN COc1cc(SC)ccc1C(=O)NCCc1ccc2oc3ccccc3c2c1 ZINC000006668533 570487250 /nfs/dbraw/zinc/48/72/50/570487250.db2.gz AJAXPNDODZCZNC-UHFFFAOYSA-N 0 0 391.492 5.289 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccccc4)ncn3)cc2)cc1 ZINC000064578333 570487555 /nfs/dbraw/zinc/48/75/55/570487555.db2.gz MXIHPRYTIFOBCA-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000006680796 570487617 /nfs/dbraw/zinc/48/76/17/570487617.db2.gz JYOSOPUDSFTYRY-FYYLOGMGSA-N 0 0 380.919 6.098 50 0 GKAARN O=C(NCCCCc1ccccc1)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000022663816 570489766 /nfs/dbraw/zinc/48/97/66/570489766.db2.gz DRAADPKGYQPFMX-UHFFFAOYSA-N 0 0 388.389 5.113 50 0 GKAARN CCCc1ccc(C(=O)CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006598445 570490139 /nfs/dbraw/zinc/49/01/39/570490139.db2.gz ZNRDBZNGAOMVIP-GXSYWRQXSA-N 0 0 381.560 5.323 50 0 GKAARN CCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc2n1 ZINC000006725124 570490278 /nfs/dbraw/zinc/49/02/78/570490278.db2.gz AUVKYNZVPHCBOG-UHFFFAOYSA-N 0 0 395.591 6.180 50 0 GKAARN CCOc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000006727393 570490662 /nfs/dbraw/zinc/49/06/62/570490662.db2.gz FAKVZUCEBGELSZ-SIKLNZKXSA-N 0 0 376.481 5.389 50 0 GKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccccc1-2 ZINC000006727504 570490780 /nfs/dbraw/zinc/49/07/80/570490780.db2.gz AUBIYYQBRKWFAH-SFHVURJKSA-N 0 0 382.489 5.307 50 0 GKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc4c(cc(F)cc4F)s3)o2)cc1 ZINC000006602037 570490837 /nfs/dbraw/zinc/49/08/37/570490837.db2.gz HWQYPGJXVHUJHL-UHFFFAOYSA-N 0 0 398.390 5.289 50 0 GKAARN CCOc1ccc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)cc1 ZINC000005169919 570491072 /nfs/dbraw/zinc/49/10/72/570491072.db2.gz MZQMHEGDAWJFML-UHFFFAOYSA-N 0 0 395.509 5.551 50 0 GKAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(CC)cc3)o2)cc1 ZINC000005170171 570491122 /nfs/dbraw/zinc/49/11/22/570491122.db2.gz QKCALMUETVZOPU-AWEZNQCLSA-N 0 0 382.485 5.061 50 0 GKAARN c1ccc(CN(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)nc1 ZINC000514250849 570491408 /nfs/dbraw/zinc/49/14/08/570491408.db2.gz PZTAHTHAKURIIR-UHFFFAOYSA-N 0 0 390.490 5.380 50 0 GKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc2ccccc21 ZINC000005172321 570491610 /nfs/dbraw/zinc/49/16/10/570491610.db2.gz UFFQLLBYUCEUOT-UHFFFAOYSA-N 0 0 396.471 6.074 50 0 GKAARN CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000006751188 570492066 /nfs/dbraw/zinc/49/20/66/570492066.db2.gz RPRHFSSTWDUEQM-QFIPXVFZSA-N 0 0 398.842 5.452 50 0 GKAARN COc1ccc(OCc2nc(CSCc3ccc(F)cc3)cs2)cc1 ZINC000022667077 570492777 /nfs/dbraw/zinc/49/27/77/570492777.db2.gz DCWFHPAQIHEIEO-UHFFFAOYSA-N 0 0 375.490 5.303 50 0 GKAARN Cc1ccc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)oc2c1 ZINC000005174183 570493041 /nfs/dbraw/zinc/49/30/41/570493041.db2.gz LWYJXKGUAVTLLN-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c(C)c1 ZINC000006794248 570493230 /nfs/dbraw/zinc/49/32/30/570493230.db2.gz RWNAYRRXTFKTPA-NRFANRHFSA-N 0 0 389.886 6.208 50 0 GKAARN CCc1ccc2oc(-c3cc(NC(=O)c4cccc(F)c4)ccc3Cl)nc2c1 ZINC000005175597 570493386 /nfs/dbraw/zinc/49/33/86/570493386.db2.gz MEKNQWKBZNJICN-UHFFFAOYSA-N 0 0 394.833 6.102 50 0 GKAARN CCc1ccc(-c2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 ZINC000005178267 570494600 /nfs/dbraw/zinc/49/46/00/570494600.db2.gz KFDOXYDNBGLLGD-UHFFFAOYSA-N 0 0 397.891 5.030 50 0 GKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)sc2c1 ZINC000027024581 570495632 /nfs/dbraw/zinc/49/56/32/570495632.db2.gz JFWTWQLUCBHQLV-UHFFFAOYSA-N 0 0 385.794 5.834 50 0 GKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC3CCCCCC3)c2n1 ZINC000006605206 570496040 /nfs/dbraw/zinc/49/60/40/570496040.db2.gz 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570497494 /nfs/dbraw/zinc/49/74/94/570497494.db2.gz DMSIDHRRXUMOGI-WOJBJXKFSA-N 0 0 388.349 6.282 50 0 GKAARN COc1cc(C(C)=O)ccc1OCc1cc2ccc(SC)cc2nc1Cl ZINC000006606610 570497492 /nfs/dbraw/zinc/49/74/92/570497492.db2.gz DHQQLWUZJKHZKF-UHFFFAOYSA-N 0 0 387.888 5.400 50 0 GKAARN CCO[C@@H]1c2cc(CC)ccc2N[C@@H](c2cccc(Br)c2)C1(C)C ZINC000006871063 570497600 /nfs/dbraw/zinc/49/76/00/570497600.db2.gz DMSIDHRRXUMOGI-VQTJNVASSA-N 0 0 388.349 6.282 50 0 GKAARN Cc1ccc(C(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)cc1 ZINC000005187202 570498151 /nfs/dbraw/zinc/49/81/51/570498151.db2.gz STWQUQOCAJLBQN-AREMUKBSSA-N 0 0 390.486 6.140 50 0 GKAARN O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1Br ZINC000004813493 570498328 /nfs/dbraw/zinc/49/83/28/570498328.db2.gz YKBLGMNFNQHLAB-UHFFFAOYSA-N 0 0 384.298 5.853 50 0 GKAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1cc(Cl)cc(Cl)c1 ZINC000005190054 570498562 /nfs/dbraw/zinc/49/85/62/570498562.db2.gz ASFVLFOMXCXQHR-OAHLLOKOSA-N 0 0 393.122 6.079 50 0 GKAARN CCOc1ccc(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)cc1 ZINC000005190688 570498953 /nfs/dbraw/zinc/49/89/53/570498953.db2.gz HUHRNVBXQYQLCI-UHFFFAOYSA-N 0 0 384.526 5.248 50 0 GKAARN COc1ccc(Cc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000006608823 570499270 /nfs/dbraw/zinc/49/92/70/570499270.db2.gz GKKAUJSSWKTWTF-UHFFFAOYSA-N 0 0 392.886 5.368 50 0 GKAARN O=C(Cc1coc2ccc3ccccc3c12)OCc1cc2c(c(Cl)c1)OCO2 ZINC000006607778 570499715 /nfs/dbraw/zinc/49/97/15/570499715.db2.gz LHBSGOBAWDQXPQ-UHFFFAOYSA-N 0 0 394.810 5.254 50 0 GKAARN O=[P@@](NNc1ccccc1)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2 ZINC000006996282 570500042 /nfs/dbraw/zinc/50/00/42/570500042.db2.gz MMTCLYKYXWHJNK-UPYYDOSSSA-N 0 0 398.443 5.776 50 0 GKAARN Brc1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 ZINC000007018152 570500161 /nfs/dbraw/zinc/50/01/61/570500161.db2.gz HHGLCKXRWKDDQI-UHFFFAOYSA-N 0 0 376.257 5.074 50 0 GKAARN O=C(CCCc1ccccc1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000007041042 570500624 /nfs/dbraw/zinc/50/06/24/570500624.db2.gz PCNOPPHBTDNQNA-UHFFFAOYSA-N 0 0 392.886 5.554 50 0 GKAARN Fc1ccc(Cc2nc(CSCCc3ccccc3)cs2)c(Cl)c1 ZINC000022669838 570500943 /nfs/dbraw/zinc/50/09/43/570500943.db2.gz HMJXLDRUTPJQCJ-UHFFFAOYSA-N 0 0 377.937 6.002 50 0 GKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCCSCc1ccco1 ZINC000022672447 570501347 /nfs/dbraw/zinc/50/13/47/570501347.db2.gz PMDQURCMVXIAIE-UHFFFAOYSA-N 0 0 398.528 5.204 50 0 GKAARN O=C(Cc1cccs1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000022672932 570501354 /nfs/dbraw/zinc/50/13/54/570501354.db2.gz FVICKOLVOOLWFB-UHFFFAOYSA-N 0 0 375.327 5.421 50 0 GKAARN Cc1ccc2oc(CN(C(=O)[C@@H](C)Oc3ccccc3)C3CCCCC3)nc2c1 ZINC000022675282 570501699 /nfs/dbraw/zinc/50/16/99/570501699.db2.gz LREWHARXIJJSFV-GOSISDBHSA-N 0 0 392.499 5.265 50 0 GKAARN CC1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)CC1 ZINC000022675332 570501746 /nfs/dbraw/zinc/50/17/46/570501746.db2.gz BQVDPYSVNFRHFL-UHFFFAOYSA-N 0 0 379.891 5.269 50 0 GKAARN Cc1ccc(N[C@H](c2c[nH]c3ccccc32)P2(=O)OCC(C)(C)CO2)cc1 ZINC000003082258 570502330 /nfs/dbraw/zinc/50/23/30/570502330.db2.gz BHUJHWBTHZHTPS-FQEVSTJZSA-N 0 0 384.416 5.853 50 0 GKAARN O=C(Nc1cc(Cl)ccc1Sc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000002654329 570502640 /nfs/dbraw/zinc/50/26/40/570502640.db2.gz UTDUIXHKPJZHDO-IBGZPJMESA-N 0 0 397.883 5.270 50 0 GKAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(O[C@H](C)CC)cc1)CC(=O)N2 ZINC000007342059 570503087 /nfs/dbraw/zinc/50/30/87/570503087.db2.gz CPUNGPIQOVSEIK-CRAIPNDOSA-N 0 0 383.488 5.135 50 0 GKAARN Brc1ccc2sc3ccc(I)cc3c2c1 ZINC000224210966 570503659 /nfs/dbraw/zinc/50/36/59/570503659.db2.gz HMECZSLDNCAHAV-UHFFFAOYSA-N 0 0 389.055 5.422 50 0 GKAARN Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1Sc1ccc(F)cc1 ZINC000002685891 570503710 /nfs/dbraw/zinc/50/37/10/570503710.db2.gz SKFDTNTYNIPZQK-UHFFFAOYSA-N 0 0 386.517 5.419 50 0 GKAARN Fc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(F)ccc32)cc1 ZINC000002688858 570503779 /nfs/dbraw/zinc/50/37/79/570503779.db2.gz LLKGVNICLUHYPC-UHFFFAOYSA-N 0 0 389.380 5.669 50 0 GKAARN COc1ccccc1Cn1cc2c(-c3ccc(C)cc3)nnc-2c2cc(C)ccc21 ZINC000002688463 570503839 /nfs/dbraw/zinc/50/38/39/570503839.db2.gz DBDGHXBCDBBZKM-UHFFFAOYSA-N 0 0 393.490 5.877 50 0 GKAARN COc1ccc(-c2nnc3c4ccccc4n(Cc4ccc(C)cc4)cc2-3)cc1 ZINC000002689444 570504107 /nfs/dbraw/zinc/50/41/07/570504107.db2.gz TTZJKKKNFJRJLZ-UHFFFAOYSA-N 0 0 379.463 5.568 50 0 GKAARN COc1cccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3ccccc32)c1 ZINC000002690127 570504134 /nfs/dbraw/zinc/50/41/34/570504134.db2.gz XLVIXJBGAXWDNL-UHFFFAOYSA-N 0 0 393.490 5.877 50 0 GKAARN O=C1C[C@@H](c2ccc(Cl)cc2)SC(N(c2ccccc2)c2ccccc2)=N1 ZINC000002692982 570504628 /nfs/dbraw/zinc/50/46/28/570504628.db2.gz WBGDAEALUNLTLQ-FQEVSTJZSA-N 0 0 392.911 6.239 50 0 GKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000005200707 570504813 /nfs/dbraw/zinc/50/48/13/570504813.db2.gz ZNJPXMPDCCKPAW-UHFFFAOYSA-N 0 0 394.430 5.909 50 0 GKAARN Cc1ccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc32)cc1 ZINC000002698637 570504925 /nfs/dbraw/zinc/50/49/25/570504925.db2.gz SFMZNOUYMCGWEC-UHFFFAOYSA-N 0 0 383.430 5.004 50 0 GKAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)c1 ZINC000005204358 570506137 /nfs/dbraw/zinc/50/61/37/570506137.db2.gz QYGOITZCUWERHG-NRFANRHFSA-N 0 0 379.456 5.500 50 0 GKAARN Oc1cc(OCc2ccc(F)cc2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000005209781 570507340 /nfs/dbraw/zinc/50/73/40/570507340.db2.gz YHKFGWRDXYIOLZ-UHFFFAOYSA-N 0 0 394.833 5.821 50 0 GKAARN Cc1ccc(-c2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)no2)cc1C ZINC000036001759 570507597 /nfs/dbraw/zinc/50/75/97/570507597.db2.gz DHSBUPWHBYVBGL-UHFFFAOYSA-N 0 0 382.891 5.663 50 0 GKAARN CC(C)Sc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000038510815 570507586 /nfs/dbraw/zinc/50/75/86/570507586.db2.gz IAVYUKQHGBFJLQ-UHFFFAOYSA-N 0 0 377.513 5.114 50 0 GKAARN CC(=CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccc(C(C)C)cc1 ZINC000005206539 570507682 /nfs/dbraw/zinc/50/76/82/570507682.db2.gz KJFRDIFJGSYXFW-ILDCJXJASA-N 0 0 391.393 6.238 50 0 GKAARN Cc1cc(C)c2c(c1)oc(=O)cc2-c1oc2ccccc2c1NC(=O)C(C)C ZINC000006623978 570508094 /nfs/dbraw/zinc/50/80/94/570508094.db2.gz ADDARKVNGMBAFR-UHFFFAOYSA-N 0 0 375.424 5.418 50 0 biogenic GKAARN Cc1oc2c(cc3c(C)c(CC(=O)Nc4ccccc4F)c(=O)oc3c2C)c1C ZINC000006624637 570508572 /nfs/dbraw/zinc/50/85/72/570508572.db2.gz UNBXAFZXTAKOLX-UHFFFAOYSA-N 0 0 393.414 5.093 50 0 biogenic GKAARN O=C(NCCSc1c2ccccc2[nH]c1-c1ccccc1)c1cccc(F)c1 ZINC000002721138 570508696 /nfs/dbraw/zinc/50/86/96/570508696.db2.gz NLVNDSDAMASYOS-UHFFFAOYSA-N 0 0 390.483 5.496 50 0 GKAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000006633695 570508919 /nfs/dbraw/zinc/50/89/19/570508919.db2.gz JTWCPLPTWCEZSA-CQSZACIVSA-N 0 0 397.928 5.237 50 0 GKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002714735 570509299 /nfs/dbraw/zinc/50/92/99/570509299.db2.gz CPOBJOIMBCWLQI-WOJBJXKFSA-N 0 0 396.538 5.878 50 0 GKAARN CCc1ccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3cccs3)s2)cc1 ZINC000038548611 570509353 /nfs/dbraw/zinc/50/93/53/570509353.db2.gz GDNDUOAFXZUDCL-ZDUSSCGKSA-N 0 0 386.542 5.145 50 0 GKAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cccc(F)c2)c1 ZINC000002714281 570509359 /nfs/dbraw/zinc/50/93/59/570509359.db2.gz UDPDGRSIMHSTSC-UHFFFAOYSA-N 0 0 394.453 6.279 50 0 GKAARN COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714592 570509439 /nfs/dbraw/zinc/50/94/39/570509439.db2.gz NOWJUJFZXMVNJA-UHFFFAOYSA-N 0 0 392.890 5.189 50 0 GKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3Nc2cccc(F)c2)cc1 ZINC000002714331 570509458 /nfs/dbraw/zinc/50/94/58/570509458.db2.gz JYNYAYDDMFMYNW-UHFFFAOYSA-N 0 0 394.453 6.279 50 0 GKAARN CC[C@H](c1ccccc1)N(CC(C)C)C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000078806283 570509608 /nfs/dbraw/zinc/50/96/08/570509608.db2.gz AEBHAWGLPFJBCN-HXUWFJFHSA-N 0 0 394.544 5.846 50 0 GKAARN O=C1c2cccc(OCc3ccc(Cl)cc3)c2CCN1Cc1ccccc1F ZINC000002716485 570509697 /nfs/dbraw/zinc/50/96/97/570509697.db2.gz FFYNWHGKVXVQKY-UHFFFAOYSA-N 0 0 395.861 5.257 50 0 GKAARN CC(C)OCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714828 570509708 /nfs/dbraw/zinc/50/97/08/570509708.db2.gz FVGBYMMMWSGMLL-UHFFFAOYSA-N 0 0 386.499 5.315 50 0 GKAARN CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002715001 570509825 /nfs/dbraw/zinc/50/98/25/570509825.db2.gz WGIZDLJBFKGPAA-UHFFFAOYSA-N 0 0 376.891 5.953 50 0 GKAARN Cc1cccc(CN2CCc3c(OCc4ccccc4Cl)cccc3C2=O)c1 ZINC000002716526 570509928 /nfs/dbraw/zinc/50/99/28/570509928.db2.gz AXDCGGLHIKKJDK-UHFFFAOYSA-N 0 0 391.898 5.426 50 0 GKAARN Cc1nn(-c2ccccc2)c(OC(=O)C2CCCC2)c1Sc1ccc(C)cc1 ZINC000002718527 570509934 /nfs/dbraw/zinc/50/99/34/570509934.db2.gz ABTBQNGHJJVYNH-UHFFFAOYSA-N 0 0 392.524 5.736 50 0 GKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)no2)c1 ZINC000036005589 570509990 /nfs/dbraw/zinc/50/99/90/570509990.db2.gz HVQIEVRIKGOCSE-UHFFFAOYSA-N 0 0 396.490 5.801 50 0 GKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4nc(C)sc4c3)o2)cc1 ZINC000006627178 570509995 /nfs/dbraw/zinc/50/99/95/570509995.db2.gz ZKOSTNCOLSSRGN-UHFFFAOYSA-N 0 0 376.437 5.320 50 0 GKAARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000002737241 570510061 /nfs/dbraw/zinc/51/00/61/570510061.db2.gz QIPYVBPTWFKXEH-PABFRNLHSA-N 0 0 383.513 5.092 50 0 GKAARN Cc1cccc(-c2nc3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3o2)c1 ZINC000002742599 570510132 /nfs/dbraw/zinc/51/01/32/570510132.db2.gz QAWTUCBEJKCDDJ-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000006628126 570510298 /nfs/dbraw/zinc/51/02/98/570510298.db2.gz DTZSUXBYHKWOHU-UHFFFAOYSA-N 0 0 375.378 5.070 50 0 GKAARN CCc1cc2oc(=O)cc(CSc3ccc4c(c3)OCCO4)c2cc1Cl ZINC000006627508 570510307 /nfs/dbraw/zinc/51/03/07/570510307.db2.gz ORIWSPKRHWBVQB-UHFFFAOYSA-N 0 0 388.872 5.072 50 0 GKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002740070 570510567 /nfs/dbraw/zinc/51/05/67/570510567.db2.gz HWHCYSNVTHLOCZ-SFHVURJKSA-N 0 0 379.887 5.336 50 0 GKAARN O=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000079054289 570510659 /nfs/dbraw/zinc/51/06/59/570510659.db2.gz 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CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000036246206 570580789 /nfs/dbraw/zinc/58/07/89/570580789.db2.gz LPJBRLMCCOPUNI-UHFFFAOYSA-N 0 0 397.515 5.519 50 0 GKAARN Cc1ccccc1CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036246303 570580840 /nfs/dbraw/zinc/58/08/40/570580840.db2.gz ATCVUIHKOKQROK-UHFFFAOYSA-N 0 0 389.879 5.183 50 0 GKAARN CCOP(=O)(Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)OCC ZINC000038626855 570580860 /nfs/dbraw/zinc/58/08/60/570580860.db2.gz YRQDRLMUWHVRBL-UHFFFAOYSA-N 0 0 395.439 6.923 50 0 GKAARN O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000011720742 570580973 /nfs/dbraw/zinc/58/09/73/570580973.db2.gz OLWUGPIWSFEMPD-CQSZACIVSA-N 0 0 383.360 5.079 50 0 GKAARN COc1ccc([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036246895 570581227 /nfs/dbraw/zinc/58/12/27/570581227.db2.gz IYXOSKJQFMJETL-QGZVFWFLSA-N 0 0 399.487 5.099 50 0 GKAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)c2ccccc2)cc1 ZINC000036247220 570581659 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COc1ccc(-c2nc(CN(C)Cc3cccc(C(F)(F)F)c3)c(C)o2)cc1 ZINC000011815662 570583830 /nfs/dbraw/zinc/58/38/30/570583830.db2.gz MLUBWYNVMVXLAC-UHFFFAOYSA-N 0 0 390.405 5.309 50 0 GKAARN Brc1cccc(-c2nc3ccccc3c(NC3CCCCC3)n2)c1 ZINC000006774084 570584368 /nfs/dbraw/zinc/58/43/68/570584368.db2.gz IGSQCUTXPLNYCZ-UHFFFAOYSA-N 0 0 382.305 5.804 50 0 GKAARN Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2-c2nc3ccc(C)cc3o2)cc1 ZINC000006775685 570584858 /nfs/dbraw/zinc/58/48/58/570584858.db2.gz CYCILTGJJPLIHL-UHFFFAOYSA-N 0 0 393.464 5.188 50 0 GKAARN COc1ccccc1C(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2o1 ZINC000006775850 570584865 /nfs/dbraw/zinc/58/48/65/570584865.db2.gz HUJONHJHVXGQOD-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN CCc1c(C)c(C(=O)N[C@@H](C)c2ccccc2)n(Cc2ccc(F)c(F)c2)c1C ZINC000006776045 570584971 /nfs/dbraw/zinc/58/49/71/570584971.db2.gz NBMZPIXHKOJZCP-INIZCTEOSA-N 0 0 396.481 5.485 50 0 GKAARN Clc1ccc([C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1 ZINC000005400631 570585169 /nfs/dbraw/zinc/58/51/69/570585169.db2.gz 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570674221 /nfs/dbraw/zinc/67/42/21/570674221.db2.gz FQNYIJWCZHUHQD-UHFFFAOYSA-N 0 0 393.462 5.337 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)c1 ZINC000065063170 570674246 /nfs/dbraw/zinc/67/42/46/570674246.db2.gz HBNRKKFOELRSRK-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063199 570674454 /nfs/dbraw/zinc/67/44/54/570674454.db2.gz MUSBEMZIUKPLDF-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000036391906 570675255 /nfs/dbraw/zinc/67/52/55/570675255.db2.gz JMKJMSKRIJWRCG-UHFFFAOYSA-N 0 0 387.863 5.044 50 0 GKAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1 ZINC000005627122 570675554 /nfs/dbraw/zinc/67/55/54/570675554.db2.gz BERKLXSROUGSHP-CQSZACIVSA-N 0 0 385.920 5.699 50 0 GKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O ZINC000013758361 570675849 /nfs/dbraw/zinc/67/58/49/570675849.db2.gz LNSVDAAUTAFJQL-TZIWHRDSSA-N 0 0 395.506 5.475 50 0 GKAARN COc1cccc(NC(=O)[C@@H](Sc2nc3ccccc3[nH]2)c2ccccc2)c1 ZINC000005628215 570676005 /nfs/dbraw/zinc/67/60/05/570676005.db2.gz OVBQCGOXTCAEML-FQEVSTJZSA-N 0 0 389.480 5.044 50 0 GKAARN COc1ccc(-c2c(C)c3cc(OCC=C(C)C)ccc3oc2=O)cc1OC ZINC000004340604 570675959 /nfs/dbraw/zinc/67/59/59/570675959.db2.gz ZPKIOQFYBPVHIT-UHFFFAOYSA-N 0 0 380.440 5.131 50 0 biogenic GKAARN COc1cc(SC)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000006881565 570676723 /nfs/dbraw/zinc/67/67/23/570676723.db2.gz UWXHEPCDSPJRKE-INIZCTEOSA-N 0 0 384.526 5.004 50 0 GKAARN CN(C)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000036392644 570676931 /nfs/dbraw/zinc/67/69/31/570676931.db2.gz GZWUNQUKYMVCCU-UHFFFAOYSA-N 0 0 395.183 5.470 50 0 GKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CC(C)(C)C ZINC000004341991 570676973 /nfs/dbraw/zinc/67/69/73/570676973.db2.gz MYBUVVTXLORQDW-UHFFFAOYSA-N 0 0 394.471 5.459 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 ZINC000032578534 570677478 /nfs/dbraw/zinc/67/74/78/570677478.db2.gz CQZIRCDIEAAYMS-UHFFFAOYSA-N 0 0 399.450 5.185 50 0 GKAARN Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c(C)c1 ZINC000032578503 570677538 /nfs/dbraw/zinc/67/75/38/570677538.db2.gz SEULIPKYXBDLIG-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=C(Nc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1)c1cccs1 ZINC000006882217 570677870 /nfs/dbraw/zinc/67/78/70/570677870.db2.gz ANQHCNHDWCKOFZ-UHFFFAOYSA-N 0 0 397.456 5.002 50 0 GKAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000006882375 570678164 /nfs/dbraw/zinc/67/81/64/570678164.db2.gz ZWUAGVATHRTHSC-IBGZPJMESA-N 0 0 389.804 5.878 50 0 GKAARN CCC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@H]1c1ccc2nccnc2c1 ZINC000036393643 570678269 /nfs/dbraw/zinc/67/82/69/570678269.db2.gz ORECLRLKXADKMJ-IBGZPJMESA-N 0 0 399.281 5.024 50 0 GKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1OC ZINC000033040014 570678463 /nfs/dbraw/zinc/67/84/63/570678463.db2.gz CQQWEZABUNYQSI-UHFFFAOYSA-N 0 0 398.484 5.757 50 0 GKAARN O=C(CCC(F)(F)F)Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1 ZINC000055035900 570679496 /nfs/dbraw/zinc/67/94/96/570679496.db2.gz WBIIHSNOWNCRJR-CSKARUKUSA-N 0 0 386.373 5.392 50 0 GKAARN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(Oc2ccccc2)cc1 ZINC000004348623 570680347 /nfs/dbraw/zinc/68/03/47/570680347.db2.gz IVJOHOXTPBWSJU-UHFFFAOYSA-N 0 0 390.420 5.070 50 0 GKAARN O=C(Cc1cccc2ccccc21)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000006886078 570680514 /nfs/dbraw/zinc/68/05/14/570680514.db2.gz SJWMFTDPMRALKZ-UHFFFAOYSA-N 0 0 398.531 6.023 50 0 GKAARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccccc3Cl)c2c1C ZINC000006886471 570680614 /nfs/dbraw/zinc/68/06/14/570680614.db2.gz CQSQYOYUORKXLK-UHFFFAOYSA-N 0 0 377.922 5.001 50 0 GKAARN Cc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)no1 ZINC000065076780 570680804 /nfs/dbraw/zinc/68/08/04/570680804.db2.gz WXJIOLJRXDBSGI-UHFFFAOYSA-N 0 0 389.499 5.188 50 0 GKAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2c(F)cccc2F)c2ccccc2)c1 ZINC000006887206 570682109 /nfs/dbraw/zinc/68/21/09/570682109.db2.gz QNNIUDGVPZTJKN-OAQYLSRUSA-N 0 0 395.405 5.118 50 0 GKAARN CC(C)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000036398727 570683457 /nfs/dbraw/zinc/68/34/57/570683457.db2.gz VOXRVPIHSQKNLK-JOCHJYFZSA-N 0 0 396.581 5.519 50 0 GKAARN C[C@@H]1CCC[C@H](C)N1Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000005660311 570684710 /nfs/dbraw/zinc/68/47/10/570684710.db2.gz TUYKJMLVUBXSOK-HDICACEKSA-N 0 0 378.545 5.291 50 0 GKAARN Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CCCC3 ZINC000033042984 570687978 /nfs/dbraw/zinc/68/79/78/570687978.db2.gz KWCBCLJZIAHAFF-INIZCTEOSA-N 0 0 391.540 5.835 50 0 GKAARN CCCCc1ccc(-c2csc3c2C(=O)N[C@H](c2cn(CC)nc2C)N3)cc1 ZINC000006890865 570689520 /nfs/dbraw/zinc/68/95/20/570689520.db2.gz ZIQHGYTYVPNIFJ-FQEVSTJZSA-N 0 0 394.544 5.137 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)c1ccccc1 ZINC000004353812 570691074 /nfs/dbraw/zinc/69/10/74/570691074.db2.gz HUKCRAHRHADLPD-UHFFFAOYSA-N 0 0 392.361 5.216 50 0 GKAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055342991 570691813 /nfs/dbraw/zinc/69/18/13/570691813.db2.gz BXFBUKCIMCEUSP-UHFFFAOYSA-N 0 0 381.785 5.041 50 0 GKAARN COc1cc([C@H]2CC(=O)c3c(ccc4ccccc43)N2)cc(Br)c1O ZINC000005798329 570692084 /nfs/dbraw/zinc/69/20/84/570692084.db2.gz KVCQACYCNKIEPS-MRXNPFEDSA-N 0 0 398.256 5.056 50 0 GKAARN COc1ccccc1[C@H]1C=C(Nc2ccc(C)cc2)C(=O)N1c1ccc(C)cc1 ZINC000005798834 570692485 /nfs/dbraw/zinc/69/24/85/570692485.db2.gz OIJMCZKZIFKUKN-HSZRJFAPSA-N 0 0 384.479 5.396 50 0 GKAARN Cc1cccc2sc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)nc21 ZINC000005799015 570692578 /nfs/dbraw/zinc/69/25/78/570692578.db2.gz PIANLXZNGHLIPX-UHFFFAOYSA-N 0 0 396.475 5.467 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(C)n2c3ccoc3cc12 ZINC000006894080 570693345 /nfs/dbraw/zinc/69/33/45/570693345.db2.gz FIXOVZWIJMBTEY-UHFFFAOYSA-N 0 0 376.441 5.040 50 0 GKAARN CC[C@H](Sc1nncn2c3ccoc3cc12)C(=O)Nc1ccc(C(C)C)cc1 ZINC000006893977 570693389 /nfs/dbraw/zinc/69/33/89/570693389.db2.gz ZYZWZPMHLZCRST-IBGZPJMESA-N 0 0 394.500 5.108 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012633951 570693626 /nfs/dbraw/zinc/69/36/26/570693626.db2.gz YIEGPJAPNBCNFC-UHFFFAOYSA-N 0 0 394.261 5.856 50 0 GKAARN Cc1c(C(=O)NCCc2ccccc2)oc2ccc3c(c12)C=CC1(CCCC1)O3 ZINC000006894483 570693727 /nfs/dbraw/zinc/69/37/27/570693727.db2.gz KEOVHCWRXUSKET-UHFFFAOYSA-N 0 0 387.479 5.432 50 0 biogenic GKAARN Cc1c(C(=O)Nc2cc(C)ccc2C)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000006894461 570693847 /nfs/dbraw/zinc/69/38/47/570693847.db2.gz TTXCLKSNTNQKGM-UHFFFAOYSA-N 0 0 377.440 5.354 50 0 GKAARN Fc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N2)cc1 ZINC000006896844 570694059 /nfs/dbraw/zinc/69/40/59/570694059.db2.gz CGMFCTFVUUERRH-OAQYLSRUSA-N 0 0 395.275 6.266 50 0 GKAARN Cc1cccc(NC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)c1C ZINC000004355510 570694311 /nfs/dbraw/zinc/69/43/11/570694311.db2.gz SSWRPOOEDBOQOD-UHFFFAOYSA-N 0 0 383.904 5.145 50 0 GKAARN Cc1ccc2nsnc2c1NC(=O)c1cccc2c(Br)cccc12 ZINC000012650864 570695035 /nfs/dbraw/zinc/69/50/35/570695035.db2.gz KNGQAJABVRGPBO-UHFFFAOYSA-N 0 0 398.285 5.168 50 0 GKAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1Cl ZINC000006900327 570695213 /nfs/dbraw/zinc/69/52/13/570695213.db2.gz CWJCQTSJFWSEQT-SECBINFHSA-N 0 0 383.325 5.722 50 0 GKAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NC1CCCCC1)n2C ZINC000012652696 570695507 /nfs/dbraw/zinc/69/55/07/570695507.db2.gz XHRSIHZWLYNJJH-UHFFFAOYSA-N 0 0 394.946 6.124 50 0 GKAARN FC(F)(F)c1cccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000055543126 570696135 /nfs/dbraw/zinc/69/61/35/570696135.db2.gz AQHSROQGEDSKEX-UHFFFAOYSA-N 0 0 389.248 5.334 50 0 GKAARN FC(F)(F)c1cccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000055543142 570696244 /nfs/dbraw/zinc/69/62/44/570696244.db2.gz FMQCJQMKCRYBLJ-UHFFFAOYSA-N 0 0 389.248 5.334 50 0 GKAARN CC(C)(C)c1cc(CN2CCN(c3ccccc3F)CC2)cc(C(C)(C)C)c1O ZINC000055542844 570696301 /nfs/dbraw/zinc/69/63/01/570696301.db2.gz HJNPRHAFFABGEM-UHFFFAOYSA-N 0 0 398.566 5.449 50 0 GKAARN Cc1ccccc1OCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000004622202 570696324 /nfs/dbraw/zinc/69/63/24/570696324.db2.gz BVOXJWKUZMIESL-NTCAYCPXSA-N 0 0 388.898 6.248 50 0 GKAARN COP(=O)(OC)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000002593654 570696719 /nfs/dbraw/zinc/69/67/19/570696719.db2.gz LBWCPQUBOGZPEI-OAHLLOKOSA-N 0 0 377.274 5.441 50 0 GKAARN COc1ccccc1CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000004357177 570696999 /nfs/dbraw/zinc/69/69/99/570696999.db2.gz KJNCCZHQEVTQCH-UHFFFAOYSA-N 0 0 391.471 5.374 50 0 GKAARN Cc1ccccc1-n1c(SCc2cccc(F)c2)nnc1-c1cccnc1 ZINC000004357499 570697303 /nfs/dbraw/zinc/69/73/03/570697303.db2.gz WSQHNSLMIRQDGM-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(F)cc2)cc1 ZINC000004357625 570697682 /nfs/dbraw/zinc/69/76/82/570697682.db2.gz LZAJVNCYUINCGI-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2Cl)cc1 ZINC000004358244 570698151 /nfs/dbraw/zinc/69/81/51/570698151.db2.gz DMRHZPNFWKWWEA-UHFFFAOYSA-N 0 0 392.915 5.583 50 0 GKAARN Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 ZINC000004358767 570698571 /nfs/dbraw/zinc/69/85/71/570698571.db2.gz IJLGSOICZVSZEW-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 ZINC000004358849 570698588 /nfs/dbraw/zinc/69/85/88/570698588.db2.gz NELMVTIDZLRMHK-UHFFFAOYSA-N 0 0 392.915 5.583 50 0 GKAARN Cc1oc(-c2cc(F)ccc2F)nc1CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000012704951 570700007 /nfs/dbraw/zinc/70/00/07/570700007.db2.gz RWDWUCVKOCFRJF-UHFFFAOYSA-N 0 0 396.359 5.579 50 0 GKAARN Cc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)c(C)c1 ZINC000065114651 570700054 /nfs/dbraw/zinc/70/00/54/570700054.db2.gz YGLLAGKSWODRCH-UHFFFAOYSA-N 0 0 388.515 5.171 50 0 GKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)Nc3ccc(C)cc3)cc1CC2 ZINC000033049024 570700161 /nfs/dbraw/zinc/70/01/61/570700161.db2.gz NXMZKPFTOUGMAO-UHFFFAOYSA-N 0 0 399.519 5.569 50 0 GKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NC3CCCCCC3)cc12 ZINC000006913376 570700322 /nfs/dbraw/zinc/70/03/22/570700322.db2.gz IGDBGKXOFCBLST-UHFFFAOYSA-N 0 0 392.518 5.898 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3cccc(F)c3)cc12 ZINC000006913296 570700392 /nfs/dbraw/zinc/70/03/92/570700392.db2.gz RTXXGJZDSZVUBH-UHFFFAOYSA-N 0 0 386.470 5.376 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCc3cccs3)cc12 ZINC000006913277 570700508 /nfs/dbraw/zinc/70/05/08/570700508.db2.gz NHMSELDKEJNQPI-UHFFFAOYSA-N 0 0 388.536 5.340 50 0 GKAARN CCC[C@@H]1Nc2cc3ccccc3cc2[C@@H](Nc2ccc3ccccc3c2)[C@H]1CC ZINC000004359232 570700556 /nfs/dbraw/zinc/70/05/56/570700556.db2.gz HQZMQFIQDVYNQA-MPYJOUPCSA-N 0 0 394.562 7.767 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=O)CCCCCn2cccc2)c2ccccc12 ZINC000604419055 570700705 /nfs/dbraw/zinc/70/07/05/570700705.db2.gz QXMBGTCSLWQFNY-HSZRJFAPSA-N 0 0 390.527 5.574 50 0 GKAARN CSc1ccc(CCNC(=O)c2ccc(N3CCc4ccccc43)s2)cc1 ZINC000006913859 570700941 /nfs/dbraw/zinc/70/09/41/570700941.db2.gz MWTLZGIEQXGETA-UHFFFAOYSA-N 0 0 394.565 5.137 50 0 GKAARN O=C(/C=C\c1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000017178095 570701425 /nfs/dbraw/zinc/70/14/25/570701425.db2.gz DPBPOGBKKPDRGC-NXVVXOECSA-N 0 0 382.419 5.337 50 0 GKAARN Cc1cc(C)c(C2=NN(c3ccccc3F)[C@@H](c3cccc(Cl)c3)C2)c(=O)[nH]1 ZINC000004625727 570702665 /nfs/dbraw/zinc/70/26/65/570702665.db2.gz FYXKNOJIIQEJJU-HXUWFJFHSA-N 0 0 395.865 5.140 50 0 GKAARN Fc1ccc([C@H](Nc2ccc(F)c(F)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000006916649 570703031 /nfs/dbraw/zinc/70/30/31/570703031.db2.gz XXYVFPKRYAWXMO-IBGZPJMESA-N 0 0 381.357 5.355 50 0 GKAARN Cc1ccc(Cl)cc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000006916642 570703186 /nfs/dbraw/zinc/70/31/86/570703186.db2.gz OYNUFOGTLPROJV-FQEVSTJZSA-N 0 0 393.849 6.039 50 0 GKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1ccc2ccccc2n1 ZINC000018705613 570704755 /nfs/dbraw/zinc/70/47/55/570704755.db2.gz GWQNKKWTZSVCJA-UHFFFAOYSA-N 0 0 388.427 5.002 50 0 GKAARN CC(C)c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000006914986 570705379 /nfs/dbraw/zinc/70/53/79/570705379.db2.gz UDOZUQSDQAIRTK-JOCHJYFZSA-N 0 0 387.458 6.201 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@@H](C)SC(c2ccccc2)c2ccccc2)c1 ZINC000057986053 570705497 /nfs/dbraw/zinc/70/54/97/570705497.db2.gz GSJFYBJQRNNJNU-LJQANCHMSA-N 0 0 375.537 6.153 50 0 GKAARN Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)c3ccccc32)cc1 ZINC000065130623 570706063 /nfs/dbraw/zinc/70/60/63/570706063.db2.gz KSYXQKOMUQURLZ-UHFFFAOYSA-N 0 0 375.859 5.548 50 0 GKAARN Cc1ccc(NC(=O)[C@H](C)SCCCc2ccccc2)c(Br)c1 ZINC000057996298 570706417 /nfs/dbraw/zinc/70/64/17/570706417.db2.gz GOTOIGJFYZEYRT-HNNXBMFYSA-N 0 0 392.362 5.451 50 0 GKAARN CC(C)c1nc2sc3c(ncnc3N3CCCCC3)c2c2c1COC(C)(C)C2 ZINC000004360253 570706708 /nfs/dbraw/zinc/70/67/08/570706708.db2.gz KLRPKEQYFQNNBE-UHFFFAOYSA-N 0 0 396.560 5.205 50 0 GKAARN CCOc1ccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)c2cccnc12 ZINC000032622763 570707123 /nfs/dbraw/zinc/70/71/23/570707123.db2.gz PCKXPQBWRMZEDI-UHFFFAOYSA-N 0 0 394.858 5.902 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032623034 570707153 /nfs/dbraw/zinc/70/71/53/570707153.db2.gz WFOHYJDSFYOUEL-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032622899 570707174 /nfs/dbraw/zinc/70/71/74/570707174.db2.gz AALARWBREDQNES-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc(-c2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000065134164 570707252 /nfs/dbraw/zinc/70/72/52/570707252.db2.gz IIOYRJYXRMBZFD-UHFFFAOYSA-N 0 0 391.540 5.417 50 0 GKAARN CC(=O)c1c(C)cc(C)c(CSc2nncn2[C@@H](C)c2ccccc2)c1C ZINC000058018169 570707488 /nfs/dbraw/zinc/70/74/88/570707488.db2.gz QFNZPQSHPXFNFL-KRWDZBQOSA-N 0 0 379.529 5.308 50 0 GKAARN O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccccc1F ZINC000032623619 570708261 /nfs/dbraw/zinc/70/82/61/570708261.db2.gz NYPKSPNOJGVSNV-UHFFFAOYSA-N 0 0 393.805 5.448 50 0 GKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(Br)c1 ZINC000000629402 570708895 /nfs/dbraw/zinc/70/88/95/570708895.db2.gz ICPFQRSSHRYTHI-UHFFFAOYSA-N 0 0 398.285 5.078 50 0 GKAARN CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000000692334 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/nfs/dbraw/zinc/75/91/36/570759136.db2.gz VQCNGDSLHBXRBA-SSSWZJSRSA-N 0 0 379.500 5.635 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)c2cn(C(C)(C)n3cc4c(n3)[C@H](C(C)C)CC[C@@H]4C)nc21 ZINC000096557043 570759297 /nfs/dbraw/zinc/75/92/97/570759297.db2.gz ZOAUIZOKVLOIPX-FGYAAKKASA-N 0 0 396.623 6.594 50 0 GKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000032719085 570759253 /nfs/dbraw/zinc/75/92/53/570759253.db2.gz SCXVUBFALGHBKS-UHFFFAOYSA-N 0 0 397.396 5.209 50 0 GKAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)Nc1cccc(Cl)c1 ZINC000013570089 570759274 /nfs/dbraw/zinc/75/92/74/570759274.db2.gz UCSYNSFTNGBCOV-UHFFFAOYSA-N 0 0 395.271 5.068 50 0 GKAARN Cc1ccc(-c2noc3nc(C4CC4)cc(C(=O)N4CCCC[C@H]4C)c32)cc1 ZINC000036618473 570759892 /nfs/dbraw/zinc/75/98/92/570759892.db2.gz SXNUXFWGFFMCAU-OAHLLOKOSA-N 0 0 375.472 5.090 50 0 GKAARN CC(C)N1c2ccc(NC(=O)C3CCCCC3)cc2Sc2ncccc2C1=O ZINC000065258524 570760518 /nfs/dbraw/zinc/76/05/18/570760518.db2.gz CUNJTHAKLGLYCX-UHFFFAOYSA-N 0 0 395.528 5.120 50 0 GKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000013583218 570760674 /nfs/dbraw/zinc/76/06/74/570760674.db2.gz TVMLBGPLRVPPFP-ZEQKJWHPSA-N 0 0 398.506 5.669 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)c1 ZINC000013596226 570761364 /nfs/dbraw/zinc/76/13/64/570761364.db2.gz PHSGDWWTVRLCPT-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN O=c1[nH]c(CSc2nc3ccccc3s2)nc2cc(C(F)(F)F)ccc21 ZINC000013598329 570762102 /nfs/dbraw/zinc/76/21/02/570762102.db2.gz SZLHBVFEKPDBPA-UHFFFAOYSA-N 0 0 393.415 5.256 50 0 GKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616351 570762833 /nfs/dbraw/zinc/76/28/33/570762833.db2.gz PDHQBASMXKWODR-OFNKIYASSA-N 0 0 388.854 5.093 50 0 GKAARN O=C(c1ccccc1)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616612 570762886 /nfs/dbraw/zinc/76/28/86/570762886.db2.gz PBPZWQVXKILORB-DYESRHJHSA-N 0 0 394.883 5.154 50 0 GKAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000013616359 570762911 /nfs/dbraw/zinc/76/29/11/570762911.db2.gz VMDBPNNUEHBEAV-UNMCSNQZSA-N 0 0 395.289 6.236 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@H](CCC)NC(=O)c1ccccc1 ZINC000013618722 570763267 /nfs/dbraw/zinc/76/32/67/570763267.db2.gz YOWDBBAJBHZDHB-NRFANRHFSA-N 0 0 377.532 5.888 50 0 GKAARN C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F ZINC000013617451 570763349 /nfs/dbraw/zinc/76/33/49/570763349.db2.gz QBFVHHNPJYZHFD-WXWBBQJKSA-N 0 0 399.469 5.114 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000036620557 570764192 /nfs/dbraw/zinc/76/41/92/570764192.db2.gz GJCRXZXRWVRZGR-LJQANCHMSA-N 0 0 377.937 5.163 50 0 GKAARN C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)o2)c2ccccc2S1 ZINC000036619841 570764294 /nfs/dbraw/zinc/76/42/94/570764294.db2.gz FSAUQKQCBMPKCN-MRXNPFEDSA-N 0 0 379.481 5.390 50 0 GKAARN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000036620583 570764599 /nfs/dbraw/zinc/76/45/99/570764599.db2.gz IHZXIXPHETTYEA-QHCPKHFHSA-N 0 0 383.557 5.569 50 0 GKAARN CCc1cc(C(=O)Nc2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000036621695 570766113 /nfs/dbraw/zinc/76/61/13/570766113.db2.gz LSMYLJZOFJIQJR-UHFFFAOYSA-N 0 0 396.494 5.172 50 0 GKAARN Cc1noc2ccc(-c3c(-c4ccccc4)ncn3C[C@@H](C)n3ccnc3)cc12 ZINC000065403594 570766224 /nfs/dbraw/zinc/76/62/24/570766224.db2.gz ATILAKHANSHOJW-MRXNPFEDSA-N 0 0 383.455 5.124 50 0 GKAARN Cc1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)cc1 ZINC000013648447 570766902 /nfs/dbraw/zinc/76/69/02/570766902.db2.gz QXQGBNVXEWMJHI-UHFFFAOYSA-N 0 0 378.475 6.125 50 0 GKAARN O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1Cl ZINC000013653751 570767378 /nfs/dbraw/zinc/76/73/78/570767378.db2.gz FEHUDFDEQBYITB-UHFFFAOYSA-N 0 0 388.254 5.175 50 0 GKAARN C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc(-n2ccnc2)cc1 ZINC000036624510 570767673 /nfs/dbraw/zinc/76/76/73/570767673.db2.gz QMHSOGCMFCSKHQ-KRWDZBQOSA-N 0 0 395.462 5.192 50 0 GKAARN CN1C(=S)N=NC1c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 ZINC000005813497 570768426 /nfs/dbraw/zinc/76/84/26/570768426.db2.gz 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ZINC000096602619 570775277 /nfs/dbraw/zinc/77/52/77/570775277.db2.gz ZWXOKPYGRXXVGX-IBGZPJMESA-N 0 0 388.854 5.479 50 0 GKAARN Clc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccccc2)=N3)cc1 ZINC000100831238 570776327 /nfs/dbraw/zinc/77/63/27/570776327.db2.gz OYWCXXXITJMKCH-OAQYLSRUSA-N 0 0 384.870 5.655 50 0 GKAARN COC(=O)C(=C(Nc1ccc(C)cc1)SCc1ccccc1)C(F)(F)F ZINC000013713682 570778340 /nfs/dbraw/zinc/77/83/40/570778340.db2.gz BHFHGEDMDAJEIN-MSUUIHNZSA-N 0 0 381.419 5.287 50 0 GKAARN Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1 ZINC000007061288 570778269 /nfs/dbraw/zinc/77/82/69/570778269.db2.gz KHMKKCVNFHDIJP-UHFFFAOYSA-N 0 0 389.282 5.484 50 0 GKAARN CC(C)N1COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2C1 ZINC000013726888 570781771 /nfs/dbraw/zinc/78/17/71/570781771.db2.gz FHMWRGROXBRWAH-UHFFFAOYSA-N 0 0 389.373 5.039 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1 ZINC000007061738 570781955 /nfs/dbraw/zinc/78/19/55/570781955.db2.gz CWQVXUMXWVQIDM-UHFFFAOYSA-N 0 0 395.462 5.303 50 0 GKAARN Clc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)c(Cl)c1 ZINC000007088907 570784499 /nfs/dbraw/zinc/78/44/99/570784499.db2.gz LVBUZCJIFQVEHY-OAHLLOKOSA-N 0 0 395.267 5.181 50 0 GKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1c1ccccc1 ZINC000004455961 570784950 /nfs/dbraw/zinc/78/49/50/570784950.db2.gz TXXFINMKWHICCW-FQEVSTJZSA-N 0 0 381.888 5.329 50 0 GKAARN CCCCc1ccc(/N=c2\ssc3c2-c2cccc(C)c2NC3(C)C)cc1 ZINC000013751182 570785069 /nfs/dbraw/zinc/78/50/69/570785069.db2.gz DKTMHKVFXUYLII-GYHWCHFESA-N 0 0 394.609 7.021 50 0 GKAARN O=C(Nc1ccc2ccccc2c1)c1sc2ccc3ccccc3c2c1Cl ZINC000007078535 570785432 /nfs/dbraw/zinc/78/54/32/570785432.db2.gz URJPVOWZSKLZHN-UHFFFAOYSA-N 0 0 387.891 7.113 50 0 GKAARN CCSC1=N[C@@H](c2ccccc2)N2C(SCC)=N[C@H](c3ccccc3)N12 ZINC000013757012 570785712 /nfs/dbraw/zinc/78/57/12/570785712.db2.gz ZMEHYPGGMMIFKA-HDICACEKSA-N 0 0 382.558 5.148 50 0 GKAARN Cc1nc(COc2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)cs1 ZINC000032744581 570787445 /nfs/dbraw/zinc/78/74/45/570787445.db2.gz 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ZINC000004468606 570790816 /nfs/dbraw/zinc/79/08/16/570790816.db2.gz CHFYKQDZQUJTFI-XDOYNYLZSA-N 0 0 382.554 6.077 50 0 GKAARN CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccco2)c2nc3ccccc3[nH]2)cc1 ZINC000051075676 570792630 /nfs/dbraw/zinc/79/26/30/570792630.db2.gz MFSPZLOBSKVHMK-QNGOZBTKSA-N 0 0 385.467 5.382 50 0 GKAARN CCCCn1nc(C)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1Cl ZINC000007113016 570792662 /nfs/dbraw/zinc/79/26/62/570792662.db2.gz ALLZNQRRIDXRBQ-HXUWFJFHSA-N 0 0 398.894 5.005 50 0 GKAARN O=C(CCC(=O)N1CCS[C@@H](c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000219467042 570792750 /nfs/dbraw/zinc/79/27/50/570792750.db2.gz WSNBGKNNVKBZGX-GOSISDBHSA-N 0 0 393.961 5.071 50 0 GKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000032747152 570793077 /nfs/dbraw/zinc/79/30/77/570793077.db2.gz VIAAYKOTWZSICD-ZYHUDNBSSA-N 0 0 381.303 5.063 50 0 GKAARN O=C(c1nc(Cl)ccc1Cl)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024386707 570793101 /nfs/dbraw/zinc/79/31/01/570793101.db2.gz MXDPQIZEKZWQHM-ZDUSSCGKSA-N 0 0 392.311 5.366 50 0 GKAARN Nc1cc[nH+]c2ccc(-c3cccc(C(=O)N4CC[C@@H]5CCCC[C@H]5C4)c3)cc12 ZINC000534637875 570793522 /nfs/dbraw/zinc/79/35/22/570793522.db2.gz ZDEQUWZYVCFRCV-UWJYYQICSA-N 0 0 385.511 5.136 50 0 GKAARN CCCC[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1Cl)c1cccnc1 ZINC000534643532 570793595 /nfs/dbraw/zinc/79/35/95/570793595.db2.gz LXAGWIWNKQATNR-SFHVURJKSA-N 0 0 380.319 5.461 50 0 GKAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)c2ccccc2Cl)cc1 ZINC000004463894 570794264 /nfs/dbraw/zinc/79/42/64/570794264.db2.gz XCBFATFZVXBMBA-CQSZACIVSA-N 0 0 385.847 5.442 50 0 GKAARN CC(C)(C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000013844894 570794332 /nfs/dbraw/zinc/79/43/32/570794332.db2.gz LNIWUUXNQHBGBI-DEOSSOPVSA-N 0 0 398.481 6.318 50 0 GKAARN CC(C)(C)c1ccc(Oc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000013846024 570794688 /nfs/dbraw/zinc/79/46/88/570794688.db2.gz ZLTNRLFXWAVULJ-NHCUHLMSSA-N 0 0 375.468 5.232 50 0 GKAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2nccs2)cc1 ZINC000011326682 570794745 /nfs/dbraw/zinc/79/47/45/570794745.db2.gz OJNABKCUURIMAL-UHFFFAOYSA-N 0 0 395.459 5.010 50 0 GKAARN CCCCNc1c2cc(Br)ccc2nc2c1C(=O)CC(C)(C)C2 ZINC000005825985 570795208 /nfs/dbraw/zinc/79/52/08/570795208.db2.gz OLTKMDMTKRXPJI-UHFFFAOYSA-N 0 0 375.310 5.364 50 0 GKAARN CCCCCNc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000005833909 570796246 /nfs/dbraw/zinc/79/62/46/570796246.db2.gz BKCDQTQLLPKPHR-UHFFFAOYSA-N 0 0 388.540 5.997 50 0 GKAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)c1 ZINC000011613287 570796379 /nfs/dbraw/zinc/79/63/79/570796379.db2.gz AUTSVOIKVFZQLF-UHFFFAOYSA-N 0 0 391.475 5.268 50 0 GKAARN CCC(CC)c1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000005860389 570797729 /nfs/dbraw/zinc/79/77/29/570797729.db2.gz CMVOHTBHPFQQIF-UHFFFAOYSA-N 0 0 388.718 5.110 50 0 GKAARN CCCCOc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000036709052 570798085 /nfs/dbraw/zinc/79/80/85/570798085.db2.gz NOCKRIAPPOELCH-UHFFFAOYSA-N 0 0 392.503 5.153 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2C)no1 ZINC000065320601 570798103 /nfs/dbraw/zinc/79/81/03/570798103.db2.gz JMGWYIIICQCKAB-SFHVURJKSA-N 0 0 396.878 5.376 50 0 GKAARN CCCCCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1 ZINC000005865420 570798419 /nfs/dbraw/zinc/79/84/19/570798419.db2.gz IWSYKMUPXXXUKF-SCLBCKFNSA-N 0 0 391.512 5.034 50 0 GKAARN Cc1ccc(-c2nc(SCc3csc(-c4ccc(F)cc4)n3)n[nH]2)cc1 ZINC000005868800 570799517 /nfs/dbraw/zinc/79/95/17/570799517.db2.gz BLTQYGBWWUBYHW-UHFFFAOYSA-N 0 0 382.489 5.335 50 0 GKAARN COc1ccc(-c2noc(CN(C)[C@@H](C)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000032777562 570799860 /nfs/dbraw/zinc/79/98/60/570799860.db2.gz IXCOFNJXTGXARA-LBPRGKRZSA-N 0 0 392.286 5.245 50 0 GKAARN FC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)c1 ZINC000005874943 570800182 /nfs/dbraw/zinc/80/01/82/570800182.db2.gz VVCKCUMUZCJUSY-UHFFFAOYSA-N 0 0 385.267 5.369 50 0 GKAARN O=C(CCOc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000005873845 570800248 /nfs/dbraw/zinc/80/02/48/570800248.db2.gz 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570801367 /nfs/dbraw/zinc/80/13/67/570801367.db2.gz XHYBBSZFCDEGLA-UHFFFAOYSA-N 0 0 386.411 5.056 50 0 GKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000065331164 570801445 /nfs/dbraw/zinc/80/14/45/570801445.db2.gz YIPXCWQGQTXGJE-SFHVURJKSA-N 0 0 395.890 5.179 50 0 GKAARN O=C([C@@H]1c2ccccc2N[C@H]2CCCC[C@@H]21)N(c1ccccc1)c1ccccc1 ZINC000097955330 570801789 /nfs/dbraw/zinc/80/17/89/570801789.db2.gz SBAKPVUHUKRXFF-ZKMPZPQNSA-N 0 0 382.507 6.119 50 0 GKAARN CC(C)COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000065331327 570801842 /nfs/dbraw/zinc/80/18/42/570801842.db2.gz JQGWDIADYHIOMB-LJQANCHMSA-N 0 0 395.890 5.035 50 0 GKAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)Oc3ccccc3Cl)cc12 ZINC000033069272 570801897 /nfs/dbraw/zinc/80/18/97/570801897.db2.gz RCZKHHLADYDIMH-UHFFFAOYSA-N 0 0 386.835 5.407 50 0 GKAARN Cc1ccc(C)c(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)c1 ZINC000004479499 570802050 /nfs/dbraw/zinc/80/20/50/570802050.db2.gz OMCNDKYOIKCTHE-UHFFFAOYSA-N 0 0 383.451 5.124 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000005902130 570802621 /nfs/dbraw/zinc/80/26/21/570802621.db2.gz XRHKPKNWGVPGCT-LLVKDONJSA-N 0 0 396.478 5.752 50 0 GKAARN CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000005903001 570802647 /nfs/dbraw/zinc/80/26/47/570802647.db2.gz XRHKPKNWGVPGCT-NSHDSACASA-N 0 0 396.478 5.752 50 0 GKAARN COc1ccc(-c2nnc(-c3ccccc3)c3nn(-c4ccccc4)cc32)cc1 ZINC000005917732 570803694 /nfs/dbraw/zinc/80/36/94/570803694.db2.gz NMLPOHPODVSQJH-UHFFFAOYSA-N 0 0 378.435 5.158 50 0 GKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1OC(F)F ZINC000007140955 570803928 /nfs/dbraw/zinc/80/39/28/570803928.db2.gz AXMIJWVOFSLSEE-UHFFFAOYSA-N 0 0 397.465 6.008 50 0 GKAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(CSC(F)F)o3)cc2)cs1 ZINC000032770875 570804419 /nfs/dbraw/zinc/80/44/19/570804419.db2.gz SIUQRRMGFJDGKQ-UHFFFAOYSA-N 0 0 394.468 5.097 50 0 GKAARN Cc1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1Cl ZINC000033073272 570804586 /nfs/dbraw/zinc/80/45/86/570804586.db2.gz ILSHJGFJLZJXHD-UHFFFAOYSA-N 0 0 379.891 5.439 50 0 aggregator GKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1 ZINC000033078121 570804608 /nfs/dbraw/zinc/80/46/08/570804608.db2.gz CCVPVQPAAUWVBW-UHFFFAOYSA-N 0 0 389.503 5.565 50 0 GKAARN Cc1cc(NC(=O)CSc2ccncc2)ccc1-c1nc2ccccc2s1 ZINC000033084477 570805752 /nfs/dbraw/zinc/80/57/52/570805752.db2.gz MGNMYPBTIBKCBX-UHFFFAOYSA-N 0 0 391.521 5.398 50 0 GKAARN CCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(cccc2C)s1 ZINC000005938559 570805798 /nfs/dbraw/zinc/80/57/98/570805798.db2.gz NUSFXLNLJFLPHY-UHFFFAOYSA-N 0 0 386.520 5.790 50 0 GKAARN COc1ccccc1-c1noc(COc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000007157102 570805982 /nfs/dbraw/zinc/80/59/82/570805982.db2.gz AYSKLGVWEAMIPN-UHFFFAOYSA-N 0 0 385.634 5.284 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)cc1F ZINC000033084742 570806203 /nfs/dbraw/zinc/80/62/03/570806203.db2.gz UCEVIPBXEYRBCX-UHFFFAOYSA-N 0 0 391.490 5.479 50 0 GKAARN Cc1ccc(NC(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)c(Cl)c1 ZINC000007159393 570806420 /nfs/dbraw/zinc/80/64/20/570806420.db2.gz OCQXORCNBLVKFN-UHFFFAOYSA-N 0 0 387.892 5.046 50 0 GKAARN Cc1cc(C)cc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)o2)c1 ZINC000007160031 570806444 /nfs/dbraw/zinc/80/64/44/570806444.db2.gz ISNQQDPQLISZFB-UHFFFAOYSA-N 0 0 388.876 5.166 50 0 GKAARN CCc1ccc(NC(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000007158566 570806452 /nfs/dbraw/zinc/80/64/52/570806452.db2.gz VUMUCYQLYBPGOM-UHFFFAOYSA-N 0 0 397.490 5.989 50 0 GKAARN CC[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004651132 570806772 /nfs/dbraw/zinc/80/67/72/570806772.db2.gz WOTATAYPCDVEDG-MNHKFAADSA-N 0 0 399.918 5.171 50 0 GKAARN CCc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C ZINC000033084354 570806807 /nfs/dbraw/zinc/80/68/07/570806807.db2.gz PATHEIAUBIFZIE-UHFFFAOYSA-N 0 0 394.544 5.113 50 0 GKAARN Cc1cc(C(=O)CSc2ncnc3ccccc32)c(C)n1Cc1cccs1 ZINC000005938202 570806933 /nfs/dbraw/zinc/80/69/33/570806933.db2.gz 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COC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000005966009 570809668 /nfs/dbraw/zinc/80/96/68/570809668.db2.gz RYRFUZQWHJJUQS-UHFFFAOYSA-N 0 0 397.430 5.216 50 0 GKAARN CC(C)(C)NC(=O)CC1(C(=O)Nc2ccccc2Cc2ccccc2)CCCC1 ZINC000005965876 570809711 /nfs/dbraw/zinc/80/97/11/570809711.db2.gz KVQDXXXHHWORMT-UHFFFAOYSA-N 0 0 392.543 5.081 50 0 GKAARN Clc1ccc(-c2nnc(SCc3ccncc3)n2-c2ccccc2)cc1 ZINC000005688278 570809861 /nfs/dbraw/zinc/80/98/61/570809861.db2.gz ILFPERPHNJRCLV-UHFFFAOYSA-N 0 0 378.888 5.275 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000012651221 570809947 /nfs/dbraw/zinc/80/99/47/570809947.db2.gz BPRAETXBQAHQDQ-UHFFFAOYSA-N 0 0 388.492 5.841 50 0 GKAARN CC(=O)c1cc(CCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000032787416 570810040 /nfs/dbraw/zinc/81/00/40/570810040.db2.gz XWRRRTSJIQSYIM-MRXNPFEDSA-N 0 0 375.468 5.268 50 0 GKAARN Cc1ccc(Cl)cc1-n1c(=O)c2ccccc2nc1/C=C\c1ccc(F)cc1 ZINC000004659588 570810208 /nfs/dbraw/zinc/81/02/08/570810208.db2.gz 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570811237 /nfs/dbraw/zinc/81/12/37/570811237.db2.gz DFCSSKGYYYFFSY-UHFFFAOYSA-N 0 0 389.499 5.026 50 0 GKAARN CC(C)c1ccc(O[P@@](=O)(N=c2cccc[nH]2)Oc2ccccc2F)cc1 ZINC000005690150 570811333 /nfs/dbraw/zinc/81/13/33/570811333.db2.gz JDWPDKUFCFECHA-MHZLTWQESA-N 0 0 386.363 6.022 50 0 GKAARN COc1ccc(CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1F ZINC000032778711 570811698 /nfs/dbraw/zinc/81/16/98/570811698.db2.gz KZJKORHNOCFKSX-UHFFFAOYSA-N 0 0 398.381 5.337 50 0 GKAARN Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)c1 ZINC000033113767 570812428 /nfs/dbraw/zinc/81/24/28/570812428.db2.gz ROLCKCMMLYAPJD-UHFFFAOYSA-N 0 0 388.492 5.319 50 0 GKAARN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)nc2c1 ZINC000005691382 570812756 /nfs/dbraw/zinc/81/27/56/570812756.db2.gz LLMWUGSJSZJTGY-HNNXBMFYSA-N 0 0 383.517 5.006 50 0 GKAARN CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=Nc1ccccc1 ZINC000004664222 570812808 /nfs/dbraw/zinc/81/28/08/570812808.db2.gz NECQTQRAJNKAAT-COSNONQRSA-N 0 0 396.512 5.108 50 0 GKAARN Fc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)o3)cs2)cc1 ZINC000007193082 570812960 /nfs/dbraw/zinc/81/29/60/570812960.db2.gz HZECRLSYGLPJJY-UHFFFAOYSA-N 0 0 387.436 5.431 50 0 GKAARN CCc1cccc2c(C(=O)[C@H](Sc3nnc(C)s3)c3ccccc3)c[nH]c21 ZINC000007193027 570813160 /nfs/dbraw/zinc/81/31/60/570813160.db2.gz CDJGKETZHIKGGO-HXUWFJFHSA-N 0 0 393.537 5.607 50 0 GKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)o3)cs2)cc1 ZINC000007192663 570813401 /nfs/dbraw/zinc/81/34/01/570813401.db2.gz IHAXOFLMTMGEKO-UHFFFAOYSA-N 0 0 383.473 5.600 50 0 GKAARN Cc1occc1-c1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000007194915 570813450 /nfs/dbraw/zinc/81/34/50/570813450.db2.gz ZFHBXDSNWYRCIK-SFHVURJKSA-N 0 0 382.872 6.173 50 0 GKAARN C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)Nc1ccccc1 ZINC000007191835 570813495 /nfs/dbraw/zinc/81/34/95/570813495.db2.gz URJOLCLADFYGQW-MRXNPFEDSA-N 0 0 387.508 5.326 50 0 GKAARN Cc1ccc(-n2c(SCC(C)C)nnc2-c2ccc(Cl)cc2)cc1Cl ZINC000005694637 570813689 /nfs/dbraw/zinc/81/36/89/570813689.db2.gz 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ZINC000001797485 570815398 /nfs/dbraw/zinc/81/53/98/570815398.db2.gz UIYCQTRCVXCTGD-UHFFFAOYSA-N 0 0 392.838 6.126 50 0 GKAARN Cc1ccccc1NC(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033123843 570815494 /nfs/dbraw/zinc/81/54/94/570815494.db2.gz LAIBSNIJOWQDEW-UHFFFAOYSA-N 0 0 375.859 6.441 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccccc1C(F)(F)F ZINC000033123781 570815551 /nfs/dbraw/zinc/81/55/51/570815551.db2.gz LUXOEOIMQZNEJU-UHFFFAOYSA-N 0 0 395.384 6.498 50 0 GKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)Nc1ccc2c(c1)OCCO2 ZINC000033123638 570815583 /nfs/dbraw/zinc/81/55/83/570815583.db2.gz SMIANXVSBVAUQG-UHFFFAOYSA-N 0 0 385.423 5.250 50 0 GKAARN Fc1ccc(C2=Nc3ncnn3[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101128324 570815585 /nfs/dbraw/zinc/81/55/85/570815585.db2.gz SXNFGIYUHKUQSM-QHCPKHFHSA-N 0 0 398.441 5.052 50 0 GKAARN COC(=O)c1ccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033123795 570815646 /nfs/dbraw/zinc/81/56/46/570815646.db2.gz UKOUIKXKNZHJOF-UHFFFAOYSA-N 0 0 385.423 5.266 50 0 GKAARN CCCOc1c2cc(NC(=O)CCc3ccccc3)ccc2sc1C(=O)OC ZINC000033123471 570815697 /nfs/dbraw/zinc/81/56/97/570815697.db2.gz AQJCENVJZJSRML-UHFFFAOYSA-N 0 0 397.496 5.048 50 0 GKAARN COc1ccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033123938 570815745 /nfs/dbraw/zinc/81/57/45/570815745.db2.gz PGKLGMQSRUMNMF-UHFFFAOYSA-N 0 0 375.403 5.627 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000033123767 570815752 /nfs/dbraw/zinc/81/57/52/570815752.db2.gz ANAQEDWVYKGCFD-UHFFFAOYSA-N 0 0 379.822 6.271 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(F)cc1F ZINC000033124130 570815913 /nfs/dbraw/zinc/81/59/13/570815913.db2.gz DDGWZLPUMISKOS-UHFFFAOYSA-N 0 0 381.407 5.886 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c(C)c1 ZINC000033124008 570815917 /nfs/dbraw/zinc/81/59/17/570815917.db2.gz JYKOULRKCQFDDJ-UHFFFAOYSA-N 0 0 394.521 5.381 50 0 GKAARN COc1ccccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124063 570815982 /nfs/dbraw/zinc/81/59/82/570815982.db2.gz MFJSAHINNUDCJJ-UHFFFAOYSA-N 0 0 375.453 5.616 50 0 GKAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000006038178 570816005 /nfs/dbraw/zinc/81/60/05/570816005.db2.gz TYBXOJHVUUFOPD-UHFFFAOYSA-N 0 0 388.467 5.097 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc2c(c1)OCO2 ZINC000033124132 570816037 /nfs/dbraw/zinc/81/60/37/570816037.db2.gz OQQIFSKQSPJSTF-UHFFFAOYSA-N 0 0 389.436 5.336 50 0 GKAARN CCc1ccc(-c2nc(S[C@@H](C)c3nc4ccccc4n3C(F)F)n[nH]2)cc1 ZINC000036811472 570816327 /nfs/dbraw/zinc/81/63/27/570816327.db2.gz PUNVCUTUKZCWAV-LBPRGKRZSA-N 0 0 399.470 5.632 50 0 GKAARN CCOc1ccc(NC(=S)NC[C@H](C)CSc2ccc(Cl)cc2)cc1 ZINC000004669542 570816904 /nfs/dbraw/zinc/81/69/04/570816904.db2.gz VNDPHZYGODCNQD-AWEZNQCLSA-N 0 0 394.993 5.454 50 0 GKAARN Clc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000101236873 570817056 /nfs/dbraw/zinc/81/70/56/570817056.db2.gz DQFZYAUKEHJUHF-JOCHJYFZSA-N 0 0 384.870 5.655 50 0 GKAARN C[C@@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)c1ccc(F)c(Cl)c1 ZINC000059928585 570817216 /nfs/dbraw/zinc/81/72/16/570817216.db2.gz YUYJXBWUXUNZKP-QWHCGFSZSA-N 0 0 376.884 6.062 50 0 GKAARN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(Cl)cc1Cl ZINC000004504625 570817597 /nfs/dbraw/zinc/81/75/97/570817597.db2.gz JKKOZKPYFSHIKI-PRIXLJELSA-N 0 0 396.273 5.442 50 0 GKAARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(Cl)cc1Cl ZINC000004504642 570817709 /nfs/dbraw/zinc/81/77/09/570817709.db2.gz JKKOZKPYFSHIKI-DRNDDYJUSA-N 0 0 396.273 5.442 50 0 GKAARN COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3nc4ccccc4n32)cc1 ZINC000101215938 570817871 /nfs/dbraw/zinc/81/78/71/570817871.db2.gz HDLXLVQZANMEDY-IRLDBZIGSA-N 0 0 389.886 5.845 50 0 GKAARN Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000033128717 570817864 /nfs/dbraw/zinc/81/78/64/570817864.db2.gz ABGHJSSYQLQNPB-UHFFFAOYSA-N 0 0 385.467 5.150 50 0 GKAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4cccc(C)c4)cc32)cc1 ZINC000033128673 570817933 /nfs/dbraw/zinc/81/79/33/570817933.db2.gz 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ZINC000031646454 570818913 /nfs/dbraw/zinc/81/89/13/570818913.db2.gz XXEWEBXSCQKYDL-UHFFFAOYSA-N 0 0 398.919 5.688 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1 ZINC000033126453 570819109 /nfs/dbraw/zinc/81/91/09/570819109.db2.gz UQFZQKFHVWCERZ-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1occc1-c1nnc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)n1C ZINC000007236534 570819181 /nfs/dbraw/zinc/81/91/81/570819181.db2.gz KXQUGCWRKHNXLE-LJQANCHMSA-N 0 0 395.915 5.919 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1C ZINC000007236569 570819196 /nfs/dbraw/zinc/81/91/96/570819196.db2.gz SSTOPYMSRURSSD-ZFWWWQNUSA-N 0 0 398.532 5.016 50 0 GKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1 ZINC000004673110 570819884 /nfs/dbraw/zinc/81/98/84/570819884.db2.gz YFKWBUPZOWWOQQ-GOSISDBHSA-N 0 0 384.479 5.711 50 0 GKAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCCC1=CCCCC1 ZINC000004673096 570820015 /nfs/dbraw/zinc/82/00/15/570820015.db2.gz QSIOSCIILYNROT-UHFFFAOYSA-N 0 0 376.500 5.138 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(F)cc2)c1 ZINC000001822415 570820138 /nfs/dbraw/zinc/82/01/38/570820138.db2.gz DJDMCVTVERCJCF-UHFFFAOYSA-N 0 0 388.486 6.235 50 0 GKAARN Cc1cc(C)cc(NCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 ZINC000060464987 570820380 /nfs/dbraw/zinc/82/03/80/570820380.db2.gz CNBGHPJXVOSCQD-SFHVURJKSA-N 0 0 395.553 5.216 50 0 GKAARN CCCc1sc(NC(=O)c2cccs2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000004671725 570820544 /nfs/dbraw/zinc/82/05/44/570820544.db2.gz ZHEIURIUOQKQNU-UHFFFAOYSA-N 0 0 397.352 6.383 50 0 GKAARN CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000004674595 570820779 /nfs/dbraw/zinc/82/07/79/570820779.db2.gz JLWLOQZAPRKRNA-KGVIQGDOSA-N 0 0 386.539 6.019 50 0 GKAARN O=C(NC1CCCCCC1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130417 570820919 /nfs/dbraw/zinc/82/09/19/570820919.db2.gz DPAHHXNJRSKCEZ-UHFFFAOYSA-N 0 0 387.483 5.389 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)Nc1c2ccccc2[nH]c1-c1cccnc1 ZINC000033130694 570821189 /nfs/dbraw/zinc/82/11/89/570821189.db2.gz TZPZXKXNMJNAOU-UHFFFAOYSA-N 0 0 376.847 5.836 50 0 GKAARN Cc1ccccc1NC(=O)Nc1c2cc(Cl)ccc2[nH]c1-c1cccnc1 ZINC000033130737 570821243 /nfs/dbraw/zinc/82/12/43/570821243.db2.gz HUBRGYXSOLUKSH-UHFFFAOYSA-N 0 0 376.847 5.836 50 0 GKAARN Cc1cccc(NC(=O)Nc2c3cccc(Cl)c3[nH]c2-c2ccncc2)c1 ZINC000033130822 570821553 /nfs/dbraw/zinc/82/15/53/570821553.db2.gz KLSZUZZZNPRENZ-UHFFFAOYSA-N 0 0 376.847 5.836 50 0 GKAARN COc1cccc(NC(=O)Nc2c3cccc(Cl)c3[nH]c2-c2ccncc2)c1 ZINC000033130815 570821599 /nfs/dbraw/zinc/82/15/99/570821599.db2.gz LTJJYQQWEHCJEH-UHFFFAOYSA-N 0 0 392.846 5.536 50 0 GKAARN COc1ccccc1NC(=O)Nc1c2cccc(Cl)c2[nH]c1-c1ccncc1 ZINC000033130814 570821655 /nfs/dbraw/zinc/82/16/55/570821655.db2.gz OZISEDDYNVKMLF-UHFFFAOYSA-N 0 0 392.846 5.536 50 0 GKAARN Cc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(C)c(C)c1C ZINC000101423704 570821584 /nfs/dbraw/zinc/82/15/84/570821584.db2.gz UZNPPVHFPQBSTR-SANMLTNESA-N 0 0 397.543 7.171 50 0 GKAARN COc1ccc(C)cc1NC(=O)Nc1c2cc(F)ccc2[nH]c1-c1cccnc1 ZINC000033130768 570821697 /nfs/dbraw/zinc/82/16/97/570821697.db2.gz NWJFJLSFLWVCTO-UHFFFAOYSA-N 0 0 390.418 5.330 50 0 GKAARN FC(F)Oc1ccc(Cl)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000012496096 570821822 /nfs/dbraw/zinc/82/18/22/570821822.db2.gz BUGWBMRCQFTIMS-FQEVSTJZSA-N 0 0 397.812 5.931 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)cc1 ZINC000004675582 570821838 /nfs/dbraw/zinc/82/18/38/570821838.db2.gz XFEIGQMCZZSOID-UHFFFAOYSA-N 0 0 391.540 5.290 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1C ZINC000004675857 570822409 /nfs/dbraw/zinc/82/24/09/570822409.db2.gz ZAQSDLCLJGEIDN-HFJQGTKSSA-N 0 0 386.539 6.073 50 0 GKAARN COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C)cc1 ZINC000004676823 570822887 /nfs/dbraw/zinc/82/28/87/570822887.db2.gz WSSGPIKVAQOOQE-IZHYLOQSSA-N 0 0 384.435 5.235 50 0 GKAARN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(N)cc1 ZINC000004676743 570822910 /nfs/dbraw/zinc/82/29/10/570822910.db2.gz 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570824405 /nfs/dbraw/zinc/82/44/05/570824405.db2.gz SMJIHOSYISHHCV-UHFFFAOYSA-N 0 0 386.680 5.423 50 0 GKAARN CCCOc1ccccc1Nc1c(C(=O)OCC)cnc2c(CC)cccc21 ZINC000001911109 570824620 /nfs/dbraw/zinc/82/46/20/570824620.db2.gz QDKZKDCFMGVEPK-UHFFFAOYSA-N 0 0 378.472 5.506 50 0 GKAARN Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3ccc(Cl)cc3)nc21 ZINC000004678681 570824635 /nfs/dbraw/zinc/82/46/35/570824635.db2.gz ZUJVUOXTHAEJKE-UHFFFAOYSA-N 0 0 383.882 6.327 50 0 GKAARN CC(=O)Nc1cccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc32)c1 ZINC000012512839 570824677 /nfs/dbraw/zinc/82/46/77/570824677.db2.gz JPBBJVBIPFYZOV-UHFFFAOYSA-N 0 0 378.432 5.199 50 0 GKAARN COc1cccc(-c2cn3cc(-c4ccc(-c5ccccc5)cc4)n(C)c3n2)c1 ZINC000004678666 570824849 /nfs/dbraw/zinc/82/48/49/570824849.db2.gz TTZOGDIRCMBROT-UHFFFAOYSA-N 0 0 379.463 5.682 50 0 GKAARN C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)[C@@H]1C ZINC000014136619 570824888 /nfs/dbraw/zinc/82/48/88/570824888.db2.gz VPCOISIMLIMUHM-OWCLPIDISA-N 0 0 392.524 5.201 50 0 GKAARN 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GKAARN Fc1cccc(F)c1COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000037278918 570869122 /nfs/dbraw/zinc/86/91/22/570869122.db2.gz UMBWKFOMWVSRSW-UHFFFAOYSA-N 0 0 398.796 5.914 50 0 GKAARN Cc1ccccc1-c1nc(-c2cccc(OCc3ccc(F)c(F)c3)c2)no1 ZINC000037278855 570869137 /nfs/dbraw/zinc/86/91/37/570869137.db2.gz LILRCFAUZKJGGZ-UHFFFAOYSA-N 0 0 378.378 5.569 50 0 GKAARN COc1ccccc1-c1nc(-c2ccc(OCc3ccccc3F)cc2)no1 ZINC000037278864 570869172 /nfs/dbraw/zinc/86/91/72/570869172.db2.gz CLAVZRLHNCIMRU-UHFFFAOYSA-N 0 0 376.387 5.130 50 0 GKAARN COc1cccc(-c2nc(-c3ccc(OCc4ccc(F)cc4F)cc3)no2)c1 ZINC000037278920 570869223 /nfs/dbraw/zinc/86/92/23/570869223.db2.gz IPDAZZDGVUJKJR-UHFFFAOYSA-N 0 0 394.377 5.269 50 0 GKAARN COc1cc(-c2noc(-c3ccccc3F)n2)ccc1OCc1ccccc1C ZINC000037278971 570869322 /nfs/dbraw/zinc/86/93/22/570869322.db2.gz UYXYJCWVBTUXCJ-UHFFFAOYSA-N 0 0 390.414 5.439 50 0 GKAARN CCCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102861941 570869359 /nfs/dbraw/zinc/86/93/59/570869359.db2.gz 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O=C(c1ccc(Cl)cc1Cl)N(Cc1ccsc1)Cc1ccccn1 ZINC000044446028 570879971 /nfs/dbraw/zinc/87/99/71/570879971.db2.gz RITJKIMQUZBXDI-UHFFFAOYSA-N 0 0 377.296 5.293 50 0 GKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2OC)N3)C1 ZINC000004553434 570880237 /nfs/dbraw/zinc/88/02/37/570880237.db2.gz JUMOZTOPJUMVDT-YJYMSZOUSA-N 0 0 384.545 5.727 50 0 GKAARN C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000103316443 570880760 /nfs/dbraw/zinc/88/07/60/570880760.db2.gz VZLMWVKMALNKHM-JFIYKMOQSA-N 0 0 393.556 5.225 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003655343 570881259 /nfs/dbraw/zinc/88/12/59/570881259.db2.gz WEDJMNHYPLYRIY-UHFFFAOYSA-N 0 0 375.811 5.570 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000003655358 570881272 /nfs/dbraw/zinc/88/12/72/570881272.db2.gz AOWBAWFRAADCFM-UHFFFAOYSA-N 0 0 397.474 6.214 50 0 GKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1cccc(O)c1)CC(=O)N2 ZINC000015107543 570881552 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/nfs/dbraw/zinc/91/19/78/570911978.db2.gz CSHSQZPCJDEARX-UHFFFAOYSA-N 0 0 380.947 5.889 50 0 GKAARN CC(C)Sc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 ZINC000016838456 570912444 /nfs/dbraw/zinc/91/24/44/570912444.db2.gz MGVBBEVVCGIMCA-UHFFFAOYSA-N 0 0 396.537 5.267 50 0 GKAARN O=C(Cc1ccc(F)cc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000007573419 570912602 /nfs/dbraw/zinc/91/26/02/570912602.db2.gz MBQSUJVULBGEMN-UHFFFAOYSA-N 0 0 387.288 5.499 50 0 GKAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 ZINC000032910154 570912977 /nfs/dbraw/zinc/91/29/77/570912977.db2.gz MZKOQIDNDHJEAU-OAHLLOKOSA-N 0 0 383.542 5.570 50 0 GKAARN c1csc(-c2nnc(CN(Cc3cccc(-c4cccnc4)c3)C3CC3)o2)c1 ZINC000089780868 570913073 /nfs/dbraw/zinc/91/30/73/570913073.db2.gz KRLDETAVSGQRLE-UHFFFAOYSA-N 0 0 388.496 5.025 50 0 GKAARN O=C(/C=C\c1cccc2cccnc12)OCc1csc(-c2ccc(F)cc2)n1 ZINC000098003465 570913799 /nfs/dbraw/zinc/91/37/99/570913799.db2.gz BBRQPFICHPOSEJ-FLIBITNWSA-N 0 0 390.439 5.254 50 0 GKAARN C[C@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000097287456 570913976 /nfs/dbraw/zinc/91/39/76/570913976.db2.gz NDCJRBBZOLOSMV-INIZCTEOSA-N 0 0 386.417 5.530 50 0 GKAARN O=C(Nc1ccc(OC(F)F)c(F)c1)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000089827765 570916264 /nfs/dbraw/zinc/91/62/64/570916264.db2.gz ZBBWWOFWZUKOFI-BTYIYWSLSA-N 0 0 390.405 5.360 50 0 GKAARN FC(F)(F)c1cc(NCc2cn3cc(Cl)ccc3n2)c2ccccc2n1 ZINC000089866647 570917528 /nfs/dbraw/zinc/91/75/28/570917528.db2.gz DYSVEXNSMOZHRS-UHFFFAOYSA-N 0 0 376.769 5.167 50 0 GKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccccc1 ZINC000016226987 570918353 /nfs/dbraw/zinc/91/83/53/570918353.db2.gz YNXKZPQLKMIHEE-SDNWHVSQSA-N 0 0 386.476 5.624 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)Cc1cccc2ccccc21 ZINC000004032481 570918568 /nfs/dbraw/zinc/91/85/68/570918568.db2.gz RHQREQFYZHIDRU-UHFFFAOYSA-N 0 0 391.474 5.644 50 0 GKAARN COc1cc(OC)c(OC)cc1CN(Cc1cnc(C(C)C)s1)C(C)(C)C ZINC000097032618 570919848 /nfs/dbraw/zinc/91/98/48/570919848.db2.gz 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O=C(Nc1cc2ccccc2cc1NC(=O)C1CCCCC1)C1CCCCC1 ZINC000004072481 570929824 /nfs/dbraw/zinc/92/98/24/570929824.db2.gz OCAOUSUVHVDTOK-UHFFFAOYSA-N 0 0 378.516 5.877 50 0 GKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(C(F)(F)F)c1 ZINC000004072459 570929828 /nfs/dbraw/zinc/92/98/28/570929828.db2.gz SCQWXANBPLBFFT-UHFFFAOYSA-N 0 0 383.782 5.130 50 0 GKAARN COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21 ZINC000000924084 570930068 /nfs/dbraw/zinc/93/00/68/570930068.db2.gz YLUYKXUYBZRDRJ-INIZCTEOSA-N 0 0 382.257 5.085 50 0 GKAARN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000001050296 570930426 /nfs/dbraw/zinc/93/04/26/570930426.db2.gz VHGLXHOCSJSUKI-UHFFFAOYSA-N 0 0 377.513 5.108 50 0 GKAARN Cc1cc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)cc(C)c1Cl ZINC000000935624 570930483 /nfs/dbraw/zinc/93/04/83/570930483.db2.gz YXNQQFBHNSYHIW-LBPRGKRZSA-N 0 0 382.685 5.125 50 0 GKAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1sccc1-c1ccccc1 ZINC000006508910 570930702 /nfs/dbraw/zinc/93/07/02/570930702.db2.gz 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AXVLLFWWMWDULG-UHFFFAOYSA-N 0 0 397.315 6.812 50 0 GKAARN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2C2CCCCC2)c1C ZINC000016903714 570934905 /nfs/dbraw/zinc/93/49/05/570934905.db2.gz MZMZXALZKYHXSR-HXUWFJFHSA-N 0 0 378.516 5.141 50 0 GKAARN Cc1cc(O)ccc1NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000170636319 570935095 /nfs/dbraw/zinc/93/50/95/570935095.db2.gz HKPRXVZWVSPALS-UHFFFAOYSA-N 0 0 387.357 5.764 50 0 GKAARN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2Cl)c1 ZINC000012649511 570935185 /nfs/dbraw/zinc/93/51/85/570935185.db2.gz ZNTQPRNGJPOSCO-UHFFFAOYSA-N 0 0 389.886 5.612 50 0 GKAARN COc1cc2c(cc1NC(=O)c1cnn(C(C)(C)C)c1C)oc1ccccc12 ZINC000046861921 570935217 /nfs/dbraw/zinc/93/52/17/570935217.db2.gz OWABASSZUCTJGX-UHFFFAOYSA-N 0 0 377.444 5.107 50 0 GKAARN Cc1c2ccccc2oc1-c1nc(N)nc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000016975757 570936216 /nfs/dbraw/zinc/93/62/16/570936216.db2.gz WZORCCSIPPYOFX-UHFFFAOYSA-N 0 0 386.242 5.226 50 0 GKAARN CCCn1nc(NC(=O)c2ccccc2Cl)c2cc3cc(C)ccc3nc21 ZINC000016977174 570936680 /nfs/dbraw/zinc/93/66/80/570936680.db2.gz SLALUMRUKUIBLT-UHFFFAOYSA-N 0 0 378.863 5.209 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000032925359 570937059 /nfs/dbraw/zinc/93/70/59/570937059.db2.gz YTHYRSUCFKGAPP-AWEZNQCLSA-N 0 0 375.310 5.627 50 0 GKAARN Cc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042418 570938051 /nfs/dbraw/zinc/93/80/51/570938051.db2.gz AMNRFVQRXKGKJQ-GOSISDBHSA-N 0 0 398.514 5.104 50 0 GKAARN S=C(Nc1cccc(Cl)c1)Nc1ccc(Br)c(Cl)c1 ZINC000017076899 570938971 /nfs/dbraw/zinc/93/89/71/570938971.db2.gz OQBHPFOVRGVUBG-UHFFFAOYSA-N 0 0 376.106 5.565 50 0 GKAARN Cc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1Cl ZINC000017077870 570939443 /nfs/dbraw/zinc/93/94/43/570939443.db2.gz GUHTYHQNURHTGB-UHFFFAOYSA-N 0 0 380.825 6.446 50 0 GKAARN COc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000017079811 570940496 /nfs/dbraw/zinc/94/04/96/570940496.db2.gz ULTQDMMMYRXREE-UHFFFAOYSA-N 0 0 390.870 5.877 50 0 GKAARN Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Br)cc2)cc1 ZINC000004321400 570942725 /nfs/dbraw/zinc/94/27/25/570942725.db2.gz JZDRQUPCMKVADH-UHFFFAOYSA-N 0 0 390.284 5.672 50 0 GKAARN Cc1cc(C)c2oc(=O)cc(/C=C/c3coc4c(Cl)cccc4c3=O)c2c1 ZINC000017194152 570943028 /nfs/dbraw/zinc/94/30/28/570943028.db2.gz GCYFFJWQULJONG-VOTSOKGWSA-N 0 0 378.811 5.340 50 0 GKAARN O=C1CS[C@@H](c2cccc(Cl)c2)N1c1ccccc1Oc1ccccc1 ZINC000017198325 570943153 /nfs/dbraw/zinc/94/31/53/570943153.db2.gz PYSMICDXZRCTDB-NRFANRHFSA-N 0 0 381.884 5.911 50 0 GKAARN CC(C)(C)OC(=O)CCCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000465280039 570946202 /nfs/dbraw/zinc/94/62/02/570946202.db2.gz FKTWQHLTEOCUSA-UHFFFAOYSA-N 0 0 388.316 5.060 50 0 GKAARN C=Cc1ccc(COc2ccc3c(c2)occ(-c2ccc(OC)cc2)c3=O)cc1 ZINC000002103965 570946275 /nfs/dbraw/zinc/94/62/75/570946275.db2.gz RBEPOESQUMEBHC-UHFFFAOYSA-N 0 0 384.431 5.691 50 0 biogenic GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000033270004 570946463 /nfs/dbraw/zinc/94/64/63/570946463.db2.gz CYWHKGQNZCBCKJ-QGZVFWFLSA-N 0 0 399.878 5.392 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000033270003 570946547 /nfs/dbraw/zinc/94/65/47/570946547.db2.gz CYWHKGQNZCBCKJ-KRWDZBQOSA-N 0 0 399.878 5.392 50 0 GKAARN COc1cc([C@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1OC ZINC000033271096 570947081 /nfs/dbraw/zinc/94/70/81/570947081.db2.gz RYMNAUIVIVWUDV-BKTGTZMESA-N 0 0 377.843 5.131 50 0 GKAARN Cc1cc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc2ccccc12 ZINC000012653170 570947281 /nfs/dbraw/zinc/94/72/81/570947281.db2.gz UBDYYXBQNDHNCQ-UHFFFAOYSA-N 0 0 391.540 5.264 50 0 GKAARN Cc1ccc(-c2cc(C34CC5CC(CC(C5)C3)C4)nc3sc4c(c32)CCC4)cc1 ZINC000012652173 570947349 /nfs/dbraw/zinc/94/73/49/570947349.db2.gz BQKZLXWUWZPSPT-UHFFFAOYSA-N 0 0 399.603 7.228 50 0 GKAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1 ZINC000002370515 570947413 /nfs/dbraw/zinc/94/74/13/570947413.db2.gz TVUKXMVXBQEEDL-UHFFFAOYSA-N 0 0 380.336 5.081 50 0 GKAARN CCn1c(=O)c2c3c(sc2nc1SCc1ccccc1Cl)CCCC3 ZINC000002390949 570947725 /nfs/dbraw/zinc/94/77/25/570947725.db2.gz IHYLFUQXJLIPIZ-UHFFFAOYSA-N 0 0 390.961 5.302 50 0 GKAARN C[C@@H]1CCC[C@H](C)N1C(=O)CN(c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000012661086 570947672 /nfs/dbraw/zinc/94/76/72/570947672.db2.gz KDQIJQSTAIKSFI-IYBDPMFKSA-N 0 0 397.519 5.363 50 0 GKAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1c(Cl)cccc1Cl ZINC000002522900 570947772 /nfs/dbraw/zinc/94/77/72/570947772.db2.gz ANNMGJFJEVQTQX-UHFFFAOYSA-N 0 0 399.368 5.694 50 0 GKAARN Cc1ccccc1Nc1c(-c2ccccc2)nc2ccc(Br)cn21 ZINC000004733844 570948106 /nfs/dbraw/zinc/94/81/06/570948106.db2.gz MAHTVJRNRPYCAM-UHFFFAOYSA-N 0 0 378.273 5.816 50 0 GKAARN Cc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccccc2C)s1 ZINC000004733842 570948203 /nfs/dbraw/zinc/94/82/03/570948203.db2.gz UFGHAGZGUNKDBI-UHFFFAOYSA-N 0 0 398.329 6.186 50 0 GKAARN Cc1cc(-c2csc(-c3cccc(C(N)=O)c3)n2)c(C)n1Cc1ccccc1 ZINC000032935923 570948306 /nfs/dbraw/zinc/94/83/06/570948306.db2.gz LTIWAFBDXZFAII-UHFFFAOYSA-N 0 0 387.508 5.043 50 0 GKAARN Clc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733679 570948334 /nfs/dbraw/zinc/94/83/34/570948334.db2.gz YLEULPDJRIUBLZ-UHFFFAOYSA-N 0 0 377.831 5.170 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc(N3CCOCC3)cc1)c2Nc1ccccc1C ZINC000004733742 570948352 /nfs/dbraw/zinc/94/83/52/570948352.db2.gz JANJYEHFYFKWSO-UHFFFAOYSA-N 0 0 398.510 5.198 50 0 GKAARN Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(Nc3ccccc3C)n2c1 ZINC000004733767 570948372 /nfs/dbraw/zinc/94/83/72/570948372.db2.gz AJQIMELZRJBRTJ-UHFFFAOYSA-N 0 0 398.510 5.198 50 0 GKAARN Fc1ccc(CNc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000004734271 570948544 /nfs/dbraw/zinc/94/85/44/570948544.db2.gz DTVVOEATFMRYCT-UHFFFAOYSA-N 0 0 397.518 7.083 50 0 GKAARN COc1ccc2c(c1)sc1nc(-c3ccc(C)o3)c(Nc3ccccc3C)n21 ZINC000004734364 570948589 /nfs/dbraw/zinc/94/85/89/570948589.db2.gz YTSIAVGTSIQKDW-UHFFFAOYSA-N 0 0 389.480 6.178 50 0 GKAARN COc1ccc(CCNc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000012681927 570948953 /nfs/dbraw/zinc/94/89/53/570948953.db2.gz RJEGAUIVUSMBGD-UHFFFAOYSA-N 0 0 395.915 5.675 50 0 GKAARN CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735087 570948972 /nfs/dbraw/zinc/94/89/72/570948972.db2.gz WHOPRUXVSZZWDQ-UHFFFAOYSA-N 0 0 389.480 5.504 50 0 aggregator GKAARN Cc1ccc2nc(-c3cc(Cl)ccc3F)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004735076 570948982 /nfs/dbraw/zinc/94/89/82/570948982.db2.gz VCIMAANXDNPAQC-UHFFFAOYSA-N 0 0 395.821 5.575 50 0 GKAARN C[C@@H](Cn1ccnc1)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000638726 570949201 /nfs/dbraw/zinc/94/92/01/570949201.db2.gz SHHHPGCBAJDAIJ-AWEZNQCLSA-N 0 0 389.282 5.288 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000012690063 570949229 /nfs/dbraw/zinc/94/92/29/570949229.db2.gz CXNVZCJWTGSBHV-UHFFFAOYSA-N 0 0 376.909 5.127 50 0 GKAARN COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(Cl)cc2)ccc1O ZINC000004733527 570949401 /nfs/dbraw/zinc/94/94/01/570949401.db2.gz HSYIAUSQEMANIJ-UHFFFAOYSA-N 0 0 379.847 5.421 50 0 GKAARN Clc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733590 570949427 /nfs/dbraw/zinc/94/94/27/570949427.db2.gz YQHKLVSVAFDKHT-UHFFFAOYSA-N 0 0 377.831 5.170 50 0 GKAARN CSc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733507 570949548 /nfs/dbraw/zinc/94/95/48/570949548.db2.gz PLILRJKHEXNJMT-UHFFFAOYSA-N 0 0 379.916 6.429 50 0 GKAARN CC(C)Oc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000002109113 570949854 /nfs/dbraw/zinc/94/98/54/570949854.db2.gz ZFTCTVDSQGCMIT-RQOTYCFOSA-N 0 0 376.500 5.341 50 0 biogenic GKAARN Cc1c(C=C2SC(Nc3ccccc3Cl)=NC2=O)c2ccccc2n1C ZINC000000654814 570949921 /nfs/dbraw/zinc/94/99/21/570949921.db2.gz MVCHPSJUWMUCML-WOJGMQOQSA-N 0 0 381.888 5.223 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000018029460 570949969 /nfs/dbraw/zinc/94/99/69/570949969.db2.gz XLJYVXKBSGBOFL-HDICACEKSA-N 0 0 389.282 5.153 50 0 GKAARN CC(C)Oc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000001249066 570949989 /nfs/dbraw/zinc/94/99/89/570949989.db2.gz XYQRGMRJNMAQMF-UHFFFAOYSA-N 0 0 395.484 5.138 50 0 GKAARN CCCCCC1CCC(c2ccc(NC(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000018044122 570950139 /nfs/dbraw/zinc/95/01/39/570950139.db2.gz BJWTUGHLGJEZCU-WHSGIHJSSA-N 0 0 386.580 6.182 50 0 GKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)C[C@@H](C(C)(C)C)CC3 ZINC000004735817 570950248 /nfs/dbraw/zinc/95/02/48/570950248.db2.gz QKFXTZSYEJOBOQ-INIZCTEOSA-N 0 0 397.540 5.693 50 0 GKAARN COc1ccc2[nH]c(Sc3c(=O)[nH]c4ccccc4c3-c3ccccc3)nc2c1 ZINC000018106459 570950533 /nfs/dbraw/zinc/95/05/33/570950533.db2.gz LMUJKBVUWHXJBK-UHFFFAOYSA-N 0 0 399.475 5.231 50 0 GKAARN CCOc1ccc(NCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)cc1 ZINC000002113180 570950750 /nfs/dbraw/zinc/95/07/50/570950750.db2.gz HRYFRNPJUVFACL-UHFFFAOYSA-N 0 0 387.435 5.176 50 0 biogenic GKAARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N=C3C)C2)cc(OC)c1OC ZINC000004736670 570951584 /nfs/dbraw/zinc/95/15/84/570951584.db2.gz UOXKXWQQJNWGHL-CQSZACIVSA-N 0 0 392.455 5.281 50 0 GKAARN Cc1nn2c(ncc3c2C[C@@H](c2ccccc2C)CC3=O)c1-c1ccc(F)cc1 ZINC000004736633 570951735 /nfs/dbraw/zinc/95/17/35/570951735.db2.gz TVAUMHZMPRWMER-QGZVFWFLSA-N 0 0 385.442 5.065 50 0 GKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(C)c(C)c1)cc2C(F)F ZINC000020615252 570951895 /nfs/dbraw/zinc/95/18/95/570951895.db2.gz DJNDYXWIMOMPAS-UHFFFAOYSA-N 0 0 399.441 5.093 50 0 GKAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(-c3ccccc3)nn21 ZINC000020605844 570951917 /nfs/dbraw/zinc/95/19/17/570951917.db2.gz GWEAAYLEMKCGSI-UHFFFAOYSA-N 0 0 398.249 5.157 50 0 GKAARN Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000018241752 570951944 /nfs/dbraw/zinc/95/19/44/570951944.db2.gz SQDFOORVKNPAEC-SFTDATJTSA-N 0 0 375.468 5.366 50 0 GKAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000033328604 570952011 /nfs/dbraw/zinc/95/20/11/570952011.db2.gz PORWBFBMJFYNRG-UHFFFAOYSA-N 0 0 393.446 5.401 50 0 GKAARN COc1cccc(NC(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c1 ZINC000033276954 570952161 /nfs/dbraw/zinc/95/21/61/570952161.db2.gz ZWNMEKJCGGVEHY-UHFFFAOYSA-N 0 0 386.455 5.001 50 0 GKAARN CC1(C)CC(=O)C([C@@H]2C[C@@H](c3ccccc3)OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000000834748 570952779 /nfs/dbraw/zinc/95/27/79/570952779.db2.gz ABRCJYCWTUTXKV-JXFKEZNVSA-N 0 0 394.511 5.609 50 0 GKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)NCc3ccccc3)cc21 ZINC000033278495 570952810 /nfs/dbraw/zinc/95/28/10/570952810.db2.gz TUXXTIXDXSPTAK-UHFFFAOYSA-N 0 0 397.478 5.541 50 0 GKAARN COc1cc(-c2cccc(C)c2)nc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000033278725 570952903 /nfs/dbraw/zinc/95/29/03/570952903.db2.gz ZLDBFJLSWRJSCN-UHFFFAOYSA-N 0 0 383.451 5.863 50 0 GKAARN O=C(NCCC1=CCCCC1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033278941 570953279 /nfs/dbraw/zinc/95/32/79/570953279.db2.gz RCEGJRAEGSGCTA-UHFFFAOYSA-N 0 0 391.446 5.163 50 0 GKAARN CCc1ccccc1N1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000002118006 570953302 /nfs/dbraw/zinc/95/33/02/570953302.db2.gz MIELUZFIORQKCR-UHFFFAOYSA-N 0 0 397.474 5.687 50 0 biogenic GKAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3cccc(C)c3)CO2)cc1 ZINC000002118090 570953340 /nfs/dbraw/zinc/95/33/40/570953340.db2.gz CKPHUCOEQRIYNH-UHFFFAOYSA-N 0 0 399.446 5.134 50 0 biogenic GKAARN Cc1ccc(-c2coc3c2c(C)cc2oc(=O)c(Cc4ccccc4)c(C)c32)cc1 ZINC000002119137 570953383 /nfs/dbraw/zinc/95/33/83/570953383.db2.gz YEVBIPMTBKLBGK-UHFFFAOYSA-N 0 0 394.470 6.722 50 0 biogenic GKAARN Nc1c2ccc(-c3ccc(Cl)cc3)nc2sc1C(=O)Nc1ccccc1 ZINC000004740114 570953958 /nfs/dbraw/zinc/95/39/58/570953958.db2.gz LVOMAZDUMXOUOZ-UHFFFAOYSA-N 0 0 379.872 5.451 50 0 GKAARN COc1ccccc1[C@]12Oc3ccccc3[C@H](c3ccccc3)[C@H]1C2(Cl)Cl ZINC000252430765 570956006 /nfs/dbraw/zinc/95/60/06/570956006.db2.gz IXHGDEMPARMCEV-BDTNDASRSA-N 0 0 397.301 5.919 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cccc3C)C2=O)cc1C ZINC000003272275 570956008 /nfs/dbraw/zinc/95/60/08/570956008.db2.gz WGENJNJIYOFBPR-HAHDFKILSA-N 0 0 396.490 5.560 50 0 GKAARN Cc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc1F ZINC000033288984 570956510 /nfs/dbraw/zinc/95/65/10/570956510.db2.gz AONJYBJXAZNVBD-UHFFFAOYSA-N 0 0 399.516 5.115 50 0 GKAARN Cc1ccc(C)c(NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033288958 570956536 /nfs/dbraw/zinc/95/65/36/570956536.db2.gz TXUHBTRUROVRAM-UHFFFAOYSA-N 0 0 395.553 5.284 50 0 GKAARN Cc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1 ZINC000001306181 570956775 /nfs/dbraw/zinc/95/67/75/570956775.db2.gz GIEBSSCAQUQIIS-UHFFFAOYSA-N 0 0 390.533 5.635 50 0 GKAARN CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 ZINC000001307570 570957281 /nfs/dbraw/zinc/95/72/81/570957281.db2.gz BRTWZSXDDAGKNK-UHFFFAOYSA-N 0 0 388.583 5.045 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000252445421 570957610 /nfs/dbraw/zinc/95/76/10/570957610.db2.gz UMZYZWLHLXYLRD-UTKZUKDTSA-N 0 0 396.531 5.031 50 0 GKAARN COc1ccc([C@@H](CCN(Cc2ccco2)C(C)=O)Cc2ccccc2)cc1 ZINC000001322155 570958248 /nfs/dbraw/zinc/95/82/48/570958248.db2.gz QCYHDYVUBLFVGM-QFIPXVFZSA-N 0 0 377.484 5.053 50 0 biogenic GKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CCCC2)[nH]1)c1ccccc1 ZINC000012103801 570958975 /nfs/dbraw/zinc/95/89/75/570958975.db2.gz FLVBOWPOILPQLM-GOSISDBHSA-N 0 0 396.491 5.074 50 0 GKAARN O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000012691114 570959306 /nfs/dbraw/zinc/95/93/06/570959306.db2.gz TXOKVIYLPPXAIA-IBGZPJMESA-N 0 0 387.813 5.461 50 0 GKAARN Cc1ccsc1[C@@H]1c2c(ccc3ccccc32)Nc2c3ccccc3oc(=O)c21 ZINC000004748048 570959416 /nfs/dbraw/zinc/95/94/16/570959416.db2.gz ZCLABZPOQSUJCG-OAQYLSRUSA-N 0 0 395.483 6.553 50 0 GKAARN Cc1cc(C)c(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)OCc2ccccc2)c(C)c1 ZINC000106303452 570959761 /nfs/dbraw/zinc/95/97/61/570959761.db2.gz SNGUJHXDBACNEW-ZCYQVOJMSA-N 0 0 399.490 5.447 50 0 GKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccccc2)n1 ZINC000004745187 570959885 /nfs/dbraw/zinc/95/98/85/570959885.db2.gz HXNBMKKKVDJMQM-UHFFFAOYSA-N 0 0 398.297 5.351 50 0 GKAARN CC[C@@](C)(CCN(C(=O)c1cccs1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000032103447 570960216 /nfs/dbraw/zinc/96/02/16/570960216.db2.gz GBFUAMRLWJIFHT-RDPSFJRHSA-N 0 0 399.600 5.906 50 0 GKAARN CC[C@](C)(CCN(C(=O)c1cccs1)[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000032103449 570960271 /nfs/dbraw/zinc/96/02/71/570960271.db2.gz GBFUAMRLWJIFHT-GBXCKJPGSA-N 0 0 399.600 5.906 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccc(F)cc1)CC(=O)N2 ZINC000032103904 570960583 /nfs/dbraw/zinc/96/05/83/570960583.db2.gz CNSBELDCKUSQFE-MRXNPFEDSA-N 0 0 380.444 5.572 50 0 GKAARN COc1ccc([C@H]2CCCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000208003380 570960677 /nfs/dbraw/zinc/96/06/77/570960677.db2.gz NSRXPUXIWMCTHR-KRWDZBQOSA-N 0 0 377.406 5.124 50 0 GKAARN O=C(Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1)c1ccno1 ZINC000208007225 570960736 /nfs/dbraw/zinc/96/07/36/570960736.db2.gz XBEDWLQDQDGUOZ-UHFFFAOYSA-N 0 0 398.394 5.072 50 0 GKAARN COc1ccc([C@@H]2CCCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000208003339 570960752 /nfs/dbraw/zinc/96/07/52/570960752.db2.gz NSRXPUXIWMCTHR-QGZVFWFLSA-N 0 0 377.406 5.124 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000004134663 570961673 /nfs/dbraw/zinc/96/16/73/570961673.db2.gz VVDWFMGJIKBYCP-UHFFFAOYSA-N 0 0 393.537 5.970 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(=O)c2ccccc2o1 ZINC000004134683 570961733 /nfs/dbraw/zinc/96/17/33/570961733.db2.gz VTWIMUBJGGPPOM-UHFFFAOYSA-N 0 0 398.443 5.322 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000004134634 570961759 /nfs/dbraw/zinc/96/17/59/570961759.db2.gz GFSFSBPGVPBBLC-UHFFFAOYSA-N 0 0 381.357 5.501 50 0 GKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(Cl)s1 ZINC000004134666 570961833 /nfs/dbraw/zinc/96/18/33/570961833.db2.gz QLTYGYCSZLOZJT-UHFFFAOYSA-N 0 0 377.903 5.387 50 0 GKAARN CCOc1ccc(-c2csc(Cc3nc(-c4cccc(C)c4)no3)n2)cc1 ZINC000033298174 570961998 /nfs/dbraw/zinc/96/19/98/570961998.db2.gz AOXQWTZMYPTOBQ-UHFFFAOYSA-N 0 0 377.469 5.158 50 0 GKAARN COc1ccccc1-c1noc(Cc2nc(-c3ccc(C)c(C)c3)cs2)n1 ZINC000033298196 570962072 /nfs/dbraw/zinc/96/20/72/570962072.db2.gz RTPDHHDNRABGTB-UHFFFAOYSA-N 0 0 377.469 5.076 50 0 GKAARN COc1ccc([C@H]2C=C(c3ccccc3)n3c4ccccc4c4c3[C@H]2CCC4)cc1 ZINC000002133263 570962437 /nfs/dbraw/zinc/96/24/37/570962437.db2.gz KEVGTPADZDHQBH-LOSJGSFVSA-N 0 0 391.514 6.756 50 0 biogenic GKAARN CCOc1cccc(=O)c2c(C)n(-c3nc(-c4ccccc4)c(C)s3)c(C)c21 ZINC000002137183 570962442 /nfs/dbraw/zinc/96/24/42/570962442.db2.gz NQHYJSIOTGEUOL-UHFFFAOYSA-N 0 0 390.508 5.438 50 0 biogenic GKAARN COc1ccc([C@@H]2C=C(c3ccccc3)n3c4ccccc4c4c3[C@@H]2CCC4)cc1 ZINC000002133260 570962481 /nfs/dbraw/zinc/96/24/81/570962481.db2.gz KEVGTPADZDHQBH-RPBOFIJWSA-N 0 0 391.514 6.756 50 0 biogenic GKAARN Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccc(F)cc2)cc1 ZINC000004356806 570962678 /nfs/dbraw/zinc/96/26/78/570962678.db2.gz GXDXRARPKQXUMB-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN C[C@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Br)cc1 ZINC000012693688 570962702 /nfs/dbraw/zinc/96/27/02/570962702.db2.gz GMTHJAWLHXMPFH-JTQLQIEISA-N 0 0 378.266 5.294 50 0 GKAARN Fc1ccc(-c2csc(Cc3nc(Cc4ccc(Cl)cc4)no3)n2)cc1 ZINC000033298255 570962582 /nfs/dbraw/zinc/96/25/82/570962582.db2.gz QINWHMLTOGBFPV-UHFFFAOYSA-N 0 0 385.851 5.167 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000000640535 570962992 /nfs/dbraw/zinc/96/29/92/570962992.db2.gz ITJZEPDILNRMBR-UHFFFAOYSA-N 0 0 385.294 6.228 50 0 GKAARN O=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000000640530 570963104 /nfs/dbraw/zinc/96/31/04/570963104.db2.gz HPLRGPMVWSLYNM-UHFFFAOYSA-N 0 0 385.294 6.228 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000000640532 570963125 /nfs/dbraw/zinc/96/31/25/570963125.db2.gz MCCYMQIZALQLHM-UHFFFAOYSA-N 0 0 385.294 6.228 50 0 GKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(C(C)(C)C)ccc1O ZINC000033292622 570963361 /nfs/dbraw/zinc/96/33/61/570963361.db2.gz CYCAEZKHKJXFGS-UHFFFAOYSA-N 0 0 393.487 5.252 50 0 GKAARN COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000033293787 570963590 /nfs/dbraw/zinc/96/35/90/570963590.db2.gz XQFPUQNGLCBZNM-OVCLIPMQSA-N 0 0 380.252 5.243 50 0 GKAARN Cc1cccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccco2)c1 ZINC000004145457 570963880 /nfs/dbraw/zinc/96/38/80/570963880.db2.gz GXRNFTBRHRJLNK-UHFFFAOYSA-N 0 0 381.888 5.781 50 0 GKAARN CCSc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000007597771 570963978 /nfs/dbraw/zinc/96/39/78/570963978.db2.gz KWPAIGZMBLWTOQ-UHFFFAOYSA-N 0 0 394.974 5.818 50 0 GKAARN CCSc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000007597769 570964035 /nfs/dbraw/zinc/96/40/35/570964035.db2.gz ZYHUSDCHXFSWJW-UHFFFAOYSA-N 0 0 396.537 5.306 50 0 GKAARN C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)[C@H]1CCCO1 ZINC000252477270 570965236 /nfs/dbraw/zinc/96/52/36/570965236.db2.gz LADZTZUUORFUCF-CFLQYTFWSA-N 0 0 394.902 5.035 50 0 GKAARN CCN(c1ccccc1Br)c1ccc(Cl)cc1Br ZINC000002173286 570965269 /nfs/dbraw/zinc/96/52/69/570965269.db2.gz PCGATYLPGLMEBV-UHFFFAOYSA-N 0 0 389.518 6.023 50 0 GKAARN CC[C@@H](NC(=O)CSc1nc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000004753637 570965443 /nfs/dbraw/zinc/96/54/43/570965443.db2.gz DCLOLHMUSXVANK-FRXJQHJJSA-N 0 0 384.545 5.031 50 0 GKAARN Nc1c(C(=O)c2cccs2)sc2nc(C3CC3)cc(-c3ccccc3)c12 ZINC000003164229 570966479 /nfs/dbraw/zinc/96/64/79/570966479.db2.gz KQNHRPUNVFGZDZ-UHFFFAOYSA-N 0 0 376.506 5.715 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000003080851 570966689 /nfs/dbraw/zinc/96/66/89/570966689.db2.gz WAZDJPLMHHXAAF-UHFFFAOYSA-N 0 0 378.471 6.864 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000003166594 570966697 /nfs/dbraw/zinc/96/66/97/570966697.db2.gz JRZRTEIKWQSISK-UHFFFAOYSA-N 0 0 396.859 5.074 50 0 GKAARN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)[C@H](C)c2nccs2)o1 ZINC000012713230 570967168 /nfs/dbraw/zinc/96/71/68/570967168.db2.gz VKPHIKXWXPRGHG-OAHLLOKOSA-N 0 0 396.491 5.229 50 0 GKAARN CCc1nc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)s2)cs1 ZINC000033308442 570968182 /nfs/dbraw/zinc/96/81/82/570968182.db2.gz XGXYIRZRSWPWOX-UHFFFAOYSA-N 0 0 392.571 5.160 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000252482784 570968779 /nfs/dbraw/zinc/96/87/79/570968779.db2.gz DNPSRGVOOQXJNR-UHFFFAOYSA-N 0 0 391.854 6.748 50 0 GKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(C)cc1Cl ZINC000011328185 570968944 /nfs/dbraw/zinc/96/89/44/570968944.db2.gz KBSPNVQUTYDWQU-UHFFFAOYSA-N 0 0 396.903 5.394 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211144918 570970234 /nfs/dbraw/zinc/97/02/34/570970234.db2.gz UFNBNTFIFNWJMG-QGZVFWFLSA-N 0 0 380.435 5.418 50 0 GKAARN Cc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2c2ccccc2)o1 ZINC000004765201 570970955 /nfs/dbraw/zinc/97/09/55/570970955.db2.gz KCYBBJJEJUXQGI-RUZDIDTESA-N 0 0 378.475 6.611 50 0 GKAARN Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000005683727 570971136 /nfs/dbraw/zinc/97/11/36/570971136.db2.gz QDQIMBMMYZDFDX-AHKZPQOWSA-N 0 0 390.486 6.391 50 0 GKAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000005683792 570971160 /nfs/dbraw/zinc/97/11/60/570971160.db2.gz QDQIMBMMYZDFDX-BDYUSTAISA-N 0 0 390.486 6.391 50 0 GKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(F)cc1C ZINC000033312647 570971184 /nfs/dbraw/zinc/97/11/84/570971184.db2.gz UCKJUSVAEQRWMJ-UHFFFAOYSA-N 0 0 398.507 5.080 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2cc(OC)cc(OC)c2)s1 ZINC000033312241 570971328 /nfs/dbraw/zinc/97/13/28/570971328.db2.gz VVVMAONXWGEGIO-UHFFFAOYSA-N 0 0 397.500 5.027 50 0 GKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3F)c12 ZINC000012228364 570971609 /nfs/dbraw/zinc/97/16/09/570971609.db2.gz UNTJOYYAXZRIAL-UHFFFAOYSA-N 0 0 381.794 5.243 50 0 GKAARN Cc1c2occ(-c3ccc4ccccc4c3)c2cc2c3c(c(=O)oc12)CCCCC3 ZINC000002147389 570971655 /nfs/dbraw/zinc/97/16/55/570971655.db2.gz OBHFIJRELPSBNT-UHFFFAOYSA-N 0 0 394.470 6.937 50 0 biogenic GKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000033312586 570971746 /nfs/dbraw/zinc/97/17/46/570971746.db2.gz MSGBWKNRWNSVLN-UHFFFAOYSA-N 0 0 394.544 5.366 50 0 GKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941738 570972830 /nfs/dbraw/zinc/97/28/30/570972830.db2.gz ITUSCKDCDINYRO-QHCPKHFHSA-N 0 0 387.454 5.441 50 0 GKAARN COc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045941762 570972834 /nfs/dbraw/zinc/97/28/34/570972834.db2.gz TVHXFIIRDHYBDG-DEOSSOPVSA-N 0 0 399.490 5.099 50 0 GKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccccc2F)C1c1ccccc1 ZINC000045941703 570972880 /nfs/dbraw/zinc/97/28/80/570972880.db2.gz CASCGCKGDAOXHY-OAQYLSRUSA-N 0 0 377.390 5.018 50 0 GKAARN Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004769839 570973027 /nfs/dbraw/zinc/97/30/27/570973027.db2.gz HNQLUFJPCOYEOK-XMMPIXPASA-N 0 0 389.514 6.858 50 0 GKAARN Clc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c(Cl)c1 ZINC000019300223 570973778 /nfs/dbraw/zinc/97/37/78/570973778.db2.gz UMSYERURQVWEAN-UHFFFAOYSA-N 0 0 397.349 6.010 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1cccs1 ZINC000002156730 570974013 /nfs/dbraw/zinc/97/40/13/570974013.db2.gz YGXGUKLXHMRBFR-IBGZPJMESA-N 0 0 383.513 5.311 50 0 biogenic GKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000208046115 570974382 /nfs/dbraw/zinc/97/43/82/570974382.db2.gz RXDIJINAKLZBQH-KRWDZBQOSA-N 0 0 399.865 5.679 50 0 GKAARN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4s3)C2)cc1 ZINC000019335236 570976148 /nfs/dbraw/zinc/97/61/48/570976148.db2.gz SDFJEQMIPPRAQC-MRXNPFEDSA-N 0 0 382.554 5.113 50 0 GKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc(OC)cc2)cc1 ZINC000085808444 570976451 /nfs/dbraw/zinc/97/64/51/570976451.db2.gz PJDPNKRFMLEJPM-UHFFFAOYSA-N 0 0 385.467 6.050 50 0 GKAARN COC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000001389655 570976844 /nfs/dbraw/zinc/97/68/44/570976844.db2.gz IVYXCPQXNVVNKQ-UHFFFAOYSA-N 0 0 381.646 5.286 50 0 GKAARN O=C(NCc1ccccn1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000012734750 570977126 /nfs/dbraw/zinc/97/71/26/570977126.db2.gz QGNCVWPKQCOYAV-UHFFFAOYSA-N 0 0 385.439 5.070 50 0 GKAARN Cc1cccc(Cc2cnc(NC(=O)C3=Cc4ccc(C)cc4OC=C3)s2)c1 ZINC000033321291 570977970 /nfs/dbraw/zinc/97/79/70/570977970.db2.gz ZQTNSQSISMWBTH-UHFFFAOYSA-N 0 0 388.492 5.279 50 0 GKAARN Cc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccccc3F)s1)C=CO2 ZINC000033321268 570977978 /nfs/dbraw/zinc/97/79/78/570977978.db2.gz PJCMZILAXCJXDS-UHFFFAOYSA-N 0 0 392.455 5.110 50 0 GKAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000044854719 570978225 /nfs/dbraw/zinc/97/82/25/570978225.db2.gz ZIKZHXWXHNHYML-LJQANCHMSA-N 0 0 397.522 5.204 50 0 GKAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(C)cc3)n2)cc1 ZINC000033324960 570978910 /nfs/dbraw/zinc/97/89/10/570978910.db2.gz FABOEQFKNJYVNI-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=C(Cc1csc(-c2ccco2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012735809 570978899 /nfs/dbraw/zinc/97/88/99/570978899.db2.gz KSZJQHOFBYYYGW-IBGZPJMESA-N 0 0 398.484 5.052 50 0 GKAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839297 570978918 /nfs/dbraw/zinc/97/89/18/570978918.db2.gz DSXJRSKSXVGMGB-UHFFFAOYSA-N 0 0 395.384 5.179 50 0 GKAARN CCN(C(=O)Cc1csc(-c2ccsc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000019358154 570978957 /nfs/dbraw/zinc/97/89/57/570978957.db2.gz GQSYOEDWLGZVCZ-UHFFFAOYSA-N 0 0 386.586 5.231 50 0 GKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838161 570979078 /nfs/dbraw/zinc/97/90/78/570979078.db2.gz ZXUDWOBYJPLUON-UHFFFAOYSA-N 0 0 382.250 5.789 50 0 GKAARN O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1F ZINC000012737594 570979071 /nfs/dbraw/zinc/97/90/71/570979071.db2.gz VYPFZSIVAHCNFI-UHFFFAOYSA-N 0 0 377.293 5.251 50 0 GKAARN Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3C)n2)c1 ZINC000033324988 570979072 /nfs/dbraw/zinc/97/90/72/570979072.db2.gz IECCKAVVZKCLND-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=C(C=Cc1cccc2ccccc12)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000098054347 570980926 /nfs/dbraw/zinc/98/09/26/570980926.db2.gz NUVGBGJBPOSSJT-KHPPLWFESA-N 0 0 379.463 5.045 50 0 GKAARN Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccc(Br)cc1 ZINC000001400387 570981322 /nfs/dbraw/zinc/98/13/22/570981322.db2.gz LZCKCJZPFUCNMH-UHFFFAOYSA-N 0 0 390.611 5.021 50 0 GKAARN 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CCOC(=O)Cn1nc(-c2ccc(C)c(C)c2)c(Cl)c1-c1ccc(C)c(C)c1 ZINC000017081199 210205145 /nfs/dbraw/zinc/20/51/45/210205145.db2.gz NWKODJDZLRPXAS-UHFFFAOYSA-N 0 0 396.918 5.667 50 0 GKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc2c1CCCC2 ZINC000017079577 210203112 /nfs/dbraw/zinc/20/31/12/210203112.db2.gz QKDGGWJUUMVBNA-UHFFFAOYSA-N 0 0 389.977 5.851 50 0 GKAARN CCc1ccccc1-n1nc(-c2ccc(C)cc2)c(Cl)c1-c1ccc(C)cc1 ZINC000017079025 210203007 /nfs/dbraw/zinc/20/30/07/210203007.db2.gz QJIQFXUOZCSNEZ-UHFFFAOYSA-N 0 0 386.926 7.039 50 0 GKAARN CC(C)n1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 ZINC000017078415 210202801 /nfs/dbraw/zinc/20/28/01/210202801.db2.gz LTNSZSOBWHQSEW-UHFFFAOYSA-N 0 0 384.357 6.187 50 0 GKAARN CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1ccccc1 ZINC000017080275 210202820 /nfs/dbraw/zinc/20/28/20/210202820.db2.gz AAFKMNOCAQPXIE-UHFFFAOYSA-N 0 0 392.553 5.689 50 0 GKAARN Cc1c(-c2cccc(C)c2)nn(Cc2cc(C)ccc2C)c1-c1cccc(C)c1 ZINC000017077836 210202590 /nfs/dbraw/zinc/20/25/90/210202590.db2.gz WSHYFQRIBMHWOR-UHFFFAOYSA-N 0 0 380.535 6.808 50 0 GKAARN S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Br ZINC000017076898 210201481 /nfs/dbraw/zinc/20/14/81/210201481.db2.gz ZPBBHFUJQBQYKP-UHFFFAOYSA-N 0 0 376.106 5.565 50 0 GKAARN FC(F)(F)c1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000016842541 210199144 /nfs/dbraw/zinc/19/91/44/210199144.db2.gz VRWOIUFJJMHATC-UHFFFAOYSA-N 0 0 385.414 5.707 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000016841300 210199059 /nfs/dbraw/zinc/19/90/59/210199059.db2.gz RCONMUUVTPCUER-UHFFFAOYSA-N 0 0 375.453 5.105 50 0 GKAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000016752451 210197242 /nfs/dbraw/zinc/19/72/42/210197242.db2.gz NEHQYSMMBCHBTC-QGZVFWFLSA-N 0 0 388.250 5.055 50 0 GKAARN Cc1cc2occ(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c(C)c1 ZINC000016753852 210197281 /nfs/dbraw/zinc/19/72/81/210197281.db2.gz ROVIKEVAGBTSOR-UHFFFAOYSA-N 0 0 381.781 5.903 50 0 GKAARN CC(C)c1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016575892 210190232 /nfs/dbraw/zinc/19/02/32/210190232.db2.gz GYBBVQMVZUIZSX-UHFFFAOYSA-N 0 0 383.879 5.475 50 0 GKAARN Cc1ccccc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000016362606 210188045 /nfs/dbraw/zinc/18/80/45/210188045.db2.gz FXZLPNHAXZNKHK-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN C[C@@H]1C[C@H](C)CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)C1 ZINC000015979614 210182113 /nfs/dbraw/zinc/18/21/13/210182113.db2.gz IKTWONPVGHOXKE-GASCZTMLSA-N 0 0 378.545 5.114 50 0 GKAARN Cc1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c(C)c1 ZINC000015881496 210177148 /nfs/dbraw/zinc/17/71/48/210177148.db2.gz YCMZAIJAHNJECB-UHFFFAOYSA-N 0 0 388.471 5.070 50 0 GKAARN CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1ccc(Cl)cc1C ZINC000015880934 210177081 /nfs/dbraw/zinc/17/70/81/210177081.db2.gz JKASWGDUOOMANJ-UHFFFAOYSA-N 0 0 377.879 5.244 50 0 GKAARN CC(C)c1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000015864912 210175851 /nfs/dbraw/zinc/17/58/51/210175851.db2.gz LMUCCYYUFZENDU-UHFFFAOYSA-N 0 0 379.916 6.879 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc1 ZINC000015867048 210175744 /nfs/dbraw/zinc/17/57/44/210175744.db2.gz IKHUQFZYLSQTCO-SFHVURJKSA-N 0 0 386.517 5.382 50 0 GKAARN Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4cccc(Cl)c4)c3)nc2c1 ZINC000015863570 210175398 /nfs/dbraw/zinc/17/53/98/210175398.db2.gz SFLSRYYDODMKGI-UHFFFAOYSA-N 0 0 389.886 5.562 50 0 GKAARN Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCC2)o1 ZINC000015860420 210175047 /nfs/dbraw/zinc/17/50/47/210175047.db2.gz YRBZDJCRAVPZCO-IBGZPJMESA-N 0 0 394.515 5.216 50 0 GKAARN Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000015842207 210175078 /nfs/dbraw/zinc/17/50/78/210175078.db2.gz ZULGRSZGRJTSQC-UHFFFAOYSA-N 0 0 399.498 5.302 50 0 GKAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000015842244 210175095 /nfs/dbraw/zinc/17/50/95/210175095.db2.gz NWQZDDDYAZHICR-UHFFFAOYSA-N 0 0 387.874 5.314 50 0 GKAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000015832013 210173543 /nfs/dbraw/zinc/17/35/43/210173543.db2.gz TUNIOBJRNKEBCN-LJQANCHMSA-N 0 0 397.902 5.524 50 0 GKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000015840197 210173588 /nfs/dbraw/zinc/17/35/88/210173588.db2.gz FVWAESVVPGJPHW-UHFFFAOYSA-N 0 0 382.432 5.380 50 0 GKAARN CCCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c2cccnc12 ZINC000015840981 210173123 /nfs/dbraw/zinc/17/31/23/210173123.db2.gz ANAFEBRRMGSVGI-UHFFFAOYSA-N 0 0 398.890 5.311 50 0 GKAARN O=C(Nc1cc(-c2ccccc2F)nn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000015821182 210171472 /nfs/dbraw/zinc/17/14/72/210171472.db2.gz BZXMACCBPAXAKJ-UHFFFAOYSA-N 0 0 391.833 5.584 50 0 GKAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000015774778 210169862 /nfs/dbraw/zinc/16/98/62/210169862.db2.gz JHSWZYKRWARQNB-UHFFFAOYSA-N 0 0 384.483 5.142 50 0 GKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000015732170 210165294 /nfs/dbraw/zinc/16/52/94/210165294.db2.gz CDFXTBXNAOZGAE-SKLOBRBISA-N 0 0 389.543 5.422 50 0 GKAARN CN(C)C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000015685069 210164560 /nfs/dbraw/zinc/16/45/60/210164560.db2.gz CHZXKFQZBSCIDC-UHFFFAOYSA-N 0 0 384.508 5.222 50 0 GKAARN C=Cc1ccc(Cn2c3sc(C)c(C)c3c(NC(C)=O)c2C(=O)OCC)cc1 ZINC000015680338 210162174 /nfs/dbraw/zinc/16/21/74/210162174.db2.gz ANGWNXTZLUCBGZ-UHFFFAOYSA-N 0 0 396.512 5.146 50 0 GKAARN Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccccc3)C2=O)cc1C ZINC000015413376 210159076 /nfs/dbraw/zinc/15/90/76/210159076.db2.gz KLXNLAXZGPISLR-VWLOTQADSA-N 0 0 398.506 5.041 50 0 GKAARN COc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c(C)c1C ZINC000015071430 210147968 /nfs/dbraw/zinc/14/79/68/210147968.db2.gz XDHHURWIDBBCHM-UHFFFAOYSA-N 0 0 395.524 5.141 50 0 GKAARN C/C(=C\c1ccccc1)CN1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000014989487 210141434 /nfs/dbraw/zinc/14/14/34/210141434.db2.gz BQQRWJGPXPZMPR-SFQUDFHCSA-N 0 0 377.509 5.419 50 0 GKAARN CC(C)COc1ccc(CN(Cc2ccncc2)C(=O)c2cccs2)cc1 ZINC000014970181 210136729 /nfs/dbraw/zinc/13/67/29/210136729.db2.gz PCHQAYIEHOPCTL-UHFFFAOYSA-N 0 0 380.513 5.021 50 0 GKAARN COc1ccc2cc(CNC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)ccc2c1 ZINC000014801271 210128675 /nfs/dbraw/zinc/12/86/75/210128675.db2.gz KGNYZJCVCYTJEO-UHFFFAOYSA-N 0 0 399.446 5.241 50 0 GKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1Cl ZINC000014709693 210124852 /nfs/dbraw/zinc/12/48/52/210124852.db2.gz XCRJAFSIXMGOIX-UHFFFAOYSA-N 0 0 376.840 5.173 50 0 GKAARN O=C(Nc1ccccc1N1CCCC1=O)c1sc2cc(F)ccc2c1Cl ZINC000014671470 210123303 /nfs/dbraw/zinc/12/33/03/210123303.db2.gz PPKXRWWZYZYQMC-UHFFFAOYSA-N 0 0 388.851 5.073 50 0 GKAARN Cc1cccc(-c2nc(CC(=O)Nc3nc(-c4cccs4)cs3)cs2)c1 ZINC000014633393 210123136 /nfs/dbraw/zinc/12/31/36/210123136.db2.gz UHYRKMWFUQLEIE-UHFFFAOYSA-N 0 0 397.550 5.485 50 0 GKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1 ZINC000014609583 210121812 /nfs/dbraw/zinc/12/18/12/210121812.db2.gz DONPJKIGQVDIBE-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN CSc1nc(C2CC2)nc(C)c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000014199836 210110664 /nfs/dbraw/zinc/11/06/64/210110664.db2.gz CQAQKVRQPKUGPF-SECBINFHSA-N 0 0 396.343 5.182 50 0 GKAARN C[C@@H]1CC[C@]2(C[C@@H]3[C@H](C[C@@H]4[C@@H]5CC[C@@H]6CCCC[C@@H]6[C@@H]5[C@H](O)C[C@]43C)O2)OC1 ZINC000253590173 222744324 /nfs/dbraw/zinc/74/43/24/222744324.db2.gz CUKVYWXDZUNVHV-DJZOLWCGSA-N 0 0 388.592 5.158 50 0 GKAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2cccc3ccccc32)CC1=O ZINC000014095540 210103500 /nfs/dbraw/zinc/10/35/00/210103500.db2.gz PQNNPEUSPQRFLE-OAQYLSRUSA-N 0 0 397.522 5.354 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1Cl ZINC000014122588 210102995 /nfs/dbraw/zinc/10/29/95/210102995.db2.gz JZWHGUSZDPKEEK-UHFFFAOYSA-N 0 0 378.859 5.142 50 0 GKAARN CCc1sc(-c2nnc(CN[C@@H](c3cccs3)c3ccccc3)o2)cc1C ZINC000014157477 210105221 /nfs/dbraw/zinc/10/52/21/210105221.db2.gz CVZWLDQGUANGQU-HXUWFJFHSA-N 0 0 395.553 5.610 50 0 GKAARN CCCCCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000013946167 210098429 /nfs/dbraw/zinc/09/84/29/210098429.db2.gz PFVQJKMGUUPAPW-UHFFFAOYSA-N 0 0 377.271 6.320 50 0 GKAARN COc1ccc(CCNc2ncnc3scc(-c4ccc(C)cc4)c32)cc1 ZINC000013988181 210098157 /nfs/dbraw/zinc/09/81/57/210098157.db2.gz LJSLCTOFMMPGDM-UHFFFAOYSA-N 0 0 375.497 5.330 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3cccc(C)c3)n2)cc1 ZINC000013960500 210098441 /nfs/dbraw/zinc/09/84/41/210098441.db2.gz SMYUDDAKAFZUEH-UHFFFAOYSA-N 0 0 384.479 5.591 50 0 GKAARN Cc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000013961090 210097415 /nfs/dbraw/zinc/09/74/15/210097415.db2.gz BVDTUPXFMQMOBM-UHFFFAOYSA-N 0 0 397.404 5.026 50 0 GKAARN C[C@H](NC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000013897833 210096365 /nfs/dbraw/zinc/09/63/65/210096365.db2.gz PHRDUQTYCHXFIG-SFHVURJKSA-N 0 0 388.467 5.075 50 0 GKAARN CCC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000013941675 210096159 /nfs/dbraw/zinc/09/61/59/210096159.db2.gz QOIMVJYLTANGCH-FQEVSTJZSA-N 0 0 375.403 5.159 50 0 GKAARN CC(C)(C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000013844891 210094287 /nfs/dbraw/zinc/09/42/87/210094287.db2.gz LNIWUUXNQHBGBI-XMMPIXPASA-N 0 0 398.481 6.318 50 0 GKAARN CCOc1ccc(/N=c2/cc(-c3ccc(OC)cc3)oc3ccc(O)cc32)cc1 ZINC000013774086 210090361 /nfs/dbraw/zinc/09/03/61/210090361.db2.gz ZNADJEHSAHHDNE-LVWGJNHUSA-N 0 0 387.435 5.445 50 0 GKAARN CCC(CC)[C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 ZINC000013675264 210077726 /nfs/dbraw/zinc/07/77/26/210077726.db2.gz SNFYYXUGUBUECJ-HXUWFJFHSA-N 0 0 377.517 5.657 50 0 investigational GKAARN O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1Cc1cccnc1 ZINC000013637385 210074787 /nfs/dbraw/zinc/07/47/87/210074787.db2.gz NVHVFITXPIZHCV-UHFFFAOYSA-N 0 0 389.458 5.174 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(-c4ccccc4)c32)nc1 ZINC000013641191 210074170 /nfs/dbraw/zinc/07/41/70/210074170.db2.gz KZTRMPYMNBHSAW-UHFFFAOYSA-N 0 0 396.406 5.106 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)c1 ZINC000013618279 210071789 /nfs/dbraw/zinc/07/17/89/210071789.db2.gz DUCUQUVZXNTVAC-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN O=C(c1ccccc1Cl)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000013598254 210070942 /nfs/dbraw/zinc/07/09/42/210070942.db2.gz PRVHTKTUZOXOKP-UHFFFAOYSA-N 0 0 388.854 5.029 50 0 GKAARN CCN(CC)/C(Sc1ccccc1)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-] ZINC000013571480 210068697 /nfs/dbraw/zinc/06/86/97/210068697.db2.gz BSSHFVDKNXCJFP-WYMLVPIESA-N 0 0 381.712 5.452 50 0 GKAARN C[C@H](c1cccs1)N(Cc1ccco1)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000013544640 210066982 /nfs/dbraw/zinc/06/69/82/210066982.db2.gz PDMCFHIAZAWNQW-GFCCVEGCSA-N 0 0 394.924 6.094 50 0 GKAARN C[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000013495013 210065237 /nfs/dbraw/zinc/06/52/37/210065237.db2.gz CEUZKFOGBDGDLP-ZDUSSCGKSA-N 0 0 383.879 5.179 50 0 GKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000013381997 210061832 /nfs/dbraw/zinc/06/18/32/210061832.db2.gz HSUBMQNOTXTJKH-RBBKRZOGSA-N 0 0 378.834 5.721 50 0 GKAARN CCCN(C(=O)c1ccco1)c1nc(-c2cccc(Br)c2)cs1 ZINC000013364582 210058455 /nfs/dbraw/zinc/05/84/55/210058455.db2.gz JTCAMCJEJTVRML-UHFFFAOYSA-N 0 0 391.290 5.222 50 0 GKAARN CC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C(C)C)cc1 ZINC000013320446 210057914 /nfs/dbraw/zinc/05/79/14/210057914.db2.gz IXLPPARQLPREKH-KRWDZBQOSA-N 0 0 398.856 6.755 50 0 GKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000013331422 210057440 /nfs/dbraw/zinc/05/74/40/210057440.db2.gz JCVSQORBTVDOPG-UHFFFAOYSA-N 0 0 386.858 5.293 50 0 GKAARN Clc1cccc(-c2[nH]c(-c3cccc4ccccc43)nc2-c2ccccc2)c1 ZINC000013284554 210057244 /nfs/dbraw/zinc/05/72/44/210057244.db2.gz ZVFUGURRGOKXKT-UHFFFAOYSA-N 0 0 380.878 7.217 50 0 GKAARN Fc1ccccc1Cn1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)n1 ZINC000013329359 210057275 /nfs/dbraw/zinc/05/72/75/210057275.db2.gz JZUNUAMFUUYVMG-UHFFFAOYSA-N 0 0 395.290 5.186 50 0 GKAARN Cc1ccc(Cn2ccc(NC(=S)Nc3cc(Cl)ccc3Cl)n2)cc1 ZINC000013330868 210056507 /nfs/dbraw/zinc/05/65/07/210056507.db2.gz FBIWZRNFKGCSAH-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN Fc1cccc(-c2nnc([C@@H](Nc3ccccc3F)c3ccc(Cl)cc3)o2)c1 ZINC000013364449 210059944 /nfs/dbraw/zinc/05/99/44/210059944.db2.gz PQEBKQMCLGAGRM-IBGZPJMESA-N 0 0 397.812 5.870 50 0 GKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1C ZINC000013368964 210059452 /nfs/dbraw/zinc/05/94/52/210059452.db2.gz OXUBZWOTPMAETM-UHFFFAOYSA-N 0 0 389.886 5.612 50 0 GKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3C)c2)cs1 ZINC000013357988 210059237 /nfs/dbraw/zinc/05/92/37/210059237.db2.gz BHFFBEMVBBEXHG-UHFFFAOYSA-N 0 0 392.933 5.190 50 0 GKAARN CCOc1ccccc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013126587 210051758 /nfs/dbraw/zinc/05/17/58/210051758.db2.gz WXQAPYJIKWDTPK-MQVJKMGUSA-N 0 0 377.575 5.026 50 0 GKAARN C[C@H]1CCc2c(sc3ncnc(Sc4ccc5c(c4)OCCCO5)c23)C1 ZINC000013073089 210050100 /nfs/dbraw/zinc/05/01/00/210050100.db2.gz QJACOLUGPQFCGE-LBPRGKRZSA-N 0 0 384.526 5.129 50 0 GKAARN CCCCNc1nc(SC)nc2c3c4c(c(CCC)nc3sc21)CCC4 ZINC000013228262 210055364 /nfs/dbraw/zinc/05/53/64/210055364.db2.gz YEDYVVZGOOKGAG-UHFFFAOYSA-N 0 0 386.590 5.615 50 0 GKAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2)cc1Cl ZINC000013038832 210048338 /nfs/dbraw/zinc/04/83/38/210048338.db2.gz KLDKEBZJKAIPGM-QFIPXVFZSA-N 0 0 378.903 5.460 50 0 GKAARN CCc1cccc(C)c1NC(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000013039141 210049284 /nfs/dbraw/zinc/04/92/84/210049284.db2.gz ZFCDQCWHQZGBKB-ZHACJKMWSA-N 0 0 387.907 5.659 50 0 GKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1Cl ZINC000013001086 210044697 /nfs/dbraw/zinc/04/46/97/210044697.db2.gz MCEBNNGJFAJUNC-UHFFFAOYSA-N 0 0 393.295 5.590 50 0 GKAARN CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000012995023 210042800 /nfs/dbraw/zinc/04/28/00/210042800.db2.gz CWIYZLDFXWZXPW-FIIODCPWSA-N 0 0 378.497 5.072 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(Br)c1 ZINC000012946920 210036521 /nfs/dbraw/zinc/03/65/21/210036521.db2.gz STGKIJDCQPTVHS-UHFFFAOYSA-N 0 0 393.331 5.124 50 0 GKAARN Cc1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl ZINC000012970663 210036568 /nfs/dbraw/zinc/03/65/68/210036568.db2.gz VDADMMXIZKLGPL-UHFFFAOYSA-N 0 0 392.915 6.001 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000012931999 210031836 /nfs/dbraw/zinc/03/18/36/210031836.db2.gz ZVSXBNNRJLCXKI-QGZVFWFLSA-N 0 0 382.504 5.017 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000012932004 210031710 /nfs/dbraw/zinc/03/17/10/210031710.db2.gz ZVSXBNNRJLCXKI-KRWDZBQOSA-N 0 0 382.504 5.017 50 0 GKAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1COc1ccccc1 ZINC000012910992 210028757 /nfs/dbraw/zinc/02/87/57/210028757.db2.gz VPCJIZJCCCATRL-UHFFFAOYSA-N 0 0 388.492 5.148 50 0 GKAARN CSc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012928118 210032462 /nfs/dbraw/zinc/03/24/62/210032462.db2.gz DORBQHMFJOCZBA-QFIPXVFZSA-N 0 0 394.565 5.056 50 0 GKAARN Cc1nn(-c2ccc(C)cc2C)c(Cl)c1/C=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000012907456 210025917 /nfs/dbraw/zinc/02/59/17/210025917.db2.gz ANDDQROGKCHNHW-YVLHZVERSA-N 0 0 398.293 5.597 50 0 GKAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cc(Cl)ccc1F ZINC000012882829 210021922 /nfs/dbraw/zinc/02/19/22/210021922.db2.gz CDOIJNYDQVSNHC-UHFFFAOYSA-N 0 0 398.825 5.317 50 0 GKAARN O=C(Nc1nc2ccccc2[nH]1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000012825004 210017683 /nfs/dbraw/zinc/01/76/83/210017683.db2.gz JNHZXSLHYRBQBM-UHFFFAOYSA-N 0 0 386.436 5.199 50 0 GKAARN O=C(NCc1ccccc1OC(F)F)c1sc2cc(F)ccc2c1Cl ZINC000012826111 210017418 /nfs/dbraw/zinc/01/74/18/210017418.db2.gz FAYJDZBAMBRIHK-UHFFFAOYSA-N 0 0 385.794 5.225 50 0 GKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000012824456 210017101 /nfs/dbraw/zinc/01/71/01/210017101.db2.gz SHVDEXFUPFKVNU-UHFFFAOYSA-N 0 0 399.372 5.602 50 0 GKAARN CSCc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000012848852 210016816 /nfs/dbraw/zinc/01/68/16/210016816.db2.gz KKTQMNOURQGKSU-UHFFFAOYSA-N 0 0 394.525 5.078 50 0 GKAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000012814194 210015619 /nfs/dbraw/zinc/01/56/19/210015619.db2.gz LXKNNMDYENSXEH-ZDUSSCGKSA-N 0 0 383.542 5.035 50 0 GKAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012813986 210015540 /nfs/dbraw/zinc/01/55/40/210015540.db2.gz DHVMSWCQPVUYDR-QGZVFWFLSA-N 0 0 392.282 5.132 50 0 GKAARN Cc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C)c1 ZINC000012778475 210007836 /nfs/dbraw/zinc/00/78/36/210007836.db2.gz SSBQVDDOSXLFQL-HSZRJFAPSA-N 0 0 396.531 5.003 50 0 GKAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(F)cc1F ZINC000012774142 210007526 /nfs/dbraw/zinc/00/75/26/210007526.db2.gz OTMYFDLXSSEQBT-UHFFFAOYSA-N 0 0 398.438 5.271 50 0 GKAARN C[C@H](NC(=O)c1c[nH]c2ccc(Br)cc12)c1cc2ccccc2o1 ZINC000012808861 210012560 /nfs/dbraw/zinc/01/25/60/210012560.db2.gz STYUIVWQRBQBTK-NSHDSACASA-N 0 0 383.245 5.168 50 0 GKAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 ZINC000012803870 210011266 /nfs/dbraw/zinc/01/12/66/210011266.db2.gz QOBMKRLOAKQXFZ-OAHLLOKOSA-N 0 0 390.483 5.110 50 0 GKAARN O=C(Nc1ccc(NC(=O)Nc2cccc(F)c2)cc1)Nc1cccc(F)c1 ZINC000012788576 210010073 /nfs/dbraw/zinc/01/00/73/210010073.db2.gz QCYCOQBPAHFQRT-UHFFFAOYSA-N 0 0 382.370 5.253 50 0 GKAARN Cc1ccc([C@@H](NCc2nc(-c3ccc(F)cc3)no2)c2cccs2)cc1 ZINC000012792794 210009567 /nfs/dbraw/zinc/00/95/67/210009567.db2.gz XDNQLXOKXVLNBB-HXUWFJFHSA-N 0 0 379.460 5.125 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012760547 210004040 /nfs/dbraw/zinc/00/40/40/210004040.db2.gz RMKZILVYXWYHKY-UHFFFAOYSA-N 0 0 376.504 5.574 50 0 GKAARN COc1ccc(CN(C(=O)c2cccc(OC)c2)[C@@H](C)Cc2cccs2)cc1 ZINC000012736541 209996086 /nfs/dbraw/zinc/99/60/86/209996086.db2.gz YKSQZVZCQNEYPV-KRWDZBQOSA-N 0 0 395.524 5.039 50 0 GKAARN COc1ccc(-c2nc(CN(C)[C@H](C)c3nc(C)cs3)c(C)o2)c(C)c1C ZINC000012710466 209994983 /nfs/dbraw/zinc/99/49/83/209994983.db2.gz YOVNWSJLJVZYRG-OAHLLOKOSA-N 0 0 385.533 5.233 50 0 GKAARN Cc1cc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)nc2ccccc12 ZINC000012551713 209972620 /nfs/dbraw/zinc/97/26/20/209972620.db2.gz VXDKHMJXUDXHFW-NSHDSACASA-N 0 0 376.403 5.080 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3nc(SC)ncc3Cl)ccc21 ZINC000012523264 209966495 /nfs/dbraw/zinc/96/64/95/209966495.db2.gz FUCVKSLJVLMJFT-UHFFFAOYSA-N 0 0 396.903 5.232 50 0 GKAARN COc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@@H]21 ZINC000012196792 209918756 /nfs/dbraw/zinc/91/87/56/209918756.db2.gz ZEDGRAKWRACNHT-LAUBAEHRSA-N 0 0 396.899 5.652 50 0 GKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012193788 209918095 /nfs/dbraw/zinc/91/80/95/209918095.db2.gz KLQZPKLIYCUYQS-NOZRDPDXSA-N 0 0 384.479 5.636 50 0 GKAARN Fc1ccc([C@H]2CCN(CCCC(F)(F)F)c3ccccc3S2)c(F)c1 ZINC000012152512 209915617 /nfs/dbraw/zinc/91/56/17/209915617.db2.gz JZAWXVYSUGKRED-QGZVFWFLSA-N 0 0 387.417 6.351 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@@H]3CC[C@]21C ZINC000257350656 222779124 /nfs/dbraw/zinc/77/91/24/222779124.db2.gz YZAKUXKVXMKKGC-BZRGLPSISA-N 0 0 386.664 7.677 50 0 GKAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4cccc(Cl)c4)ccc3C(=O)O2)cc1 ZINC000011666562 209878774 /nfs/dbraw/zinc/87/87/74/209878774.db2.gz JLUOWGITKFBKNQ-NRFANRHFSA-N 0 0 391.854 5.355 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000257349724 222779969 /nfs/dbraw/zinc/77/99/69/222779969.db2.gz QOXPZVASXWSKKU-QSPMDUSDSA-N 0 0 398.675 7.411 50 0 GKAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000010447166 209860494 /nfs/dbraw/zinc/86/04/94/209860494.db2.gz LAZRCUXXGTYBLS-NSHDSACASA-N 0 0 391.302 5.118 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000010277655 209856767 /nfs/dbraw/zinc/85/67/67/209856767.db2.gz KYKFSPUFVAXZNK-UHFFFAOYSA-N 0 0 396.446 6.915 50 0 GKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)cc1 ZINC000010023920 209852651 /nfs/dbraw/zinc/85/26/51/209852651.db2.gz VZLSTQQPXTWRCT-KRWDZBQOSA-N 0 0 384.526 5.248 50 0 GKAARN Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000009722691 209844672 /nfs/dbraw/zinc/84/46/72/209844672.db2.gz WFSZCANTPXRBEI-UHFFFAOYSA-N 0 0 381.907 5.437 50 0 GKAARN Fc1ccccc1[C@H](c1nnc(-c2ccccc2)o1)N1CCCc2ccccc21 ZINC000009645647 209838811 /nfs/dbraw/zinc/83/88/11/209838811.db2.gz JWVNHLDURQODGI-JOCHJYFZSA-N 0 0 385.442 5.418 50 0 GKAARN C[C@@H](CCc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000009527113 209833311 /nfs/dbraw/zinc/83/33/11/209833311.db2.gz YMMZENPYWMENMS-KRWDZBQOSA-N 0 0 387.914 6.383 50 0 GKAARN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1nc2ccccc2s1 ZINC000009486289 209832551 /nfs/dbraw/zinc/83/25/51/209832551.db2.gz KWNXXGRQAAPISD-ZDUSSCGKSA-N 0 0 379.872 5.048 50 0 GKAARN CCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000009426292 209828777 /nfs/dbraw/zinc/82/87/77/209828777.db2.gz QUIONSDFGKNLFI-DEOSSOPVSA-N 0 0 384.454 5.929 50 0 GKAARN O=C(CSc1cccc2cccnc21)N1c2ccccc2CCc2ccccc21 ZINC000009427188 209828135 /nfs/dbraw/zinc/82/81/35/209828135.db2.gz FINHDOPSNBMUKY-UHFFFAOYSA-N 0 0 396.515 5.790 50 0 GKAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)c1 ZINC000009374395 209826207 /nfs/dbraw/zinc/82/62/07/209826207.db2.gz ZOKBDVBIQYTJDD-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Clc1ccccc1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn21 ZINC000008969778 209807014 /nfs/dbraw/zinc/80/70/14/209807014.db2.gz HWEFPXGNCXZRHO-OAQYLSRUSA-N 0 0 385.858 5.646 50 0 GKAARN C[C@H]1CC(=Cc2ccc(F)cc2)C2=NC(=S)N[C@H](c3ccc(F)cc3)C2C1 ZINC000008672215 209791662 /nfs/dbraw/zinc/79/16/62/209791662.db2.gz FFYCJYXISQRSOH-LVCAJSQLSA-N 0 0 382.479 5.663 50 0 GKAARN Cc1ccc(CCNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)cc1 ZINC000008604251 209788394 /nfs/dbraw/zinc/78/83/94/209788394.db2.gz RUZUPTYGNZSVOV-UHFFFAOYSA-N 0 0 392.499 5.176 50 0 GKAARN O=C(Oc1ccc(-c2ccccc2)cc1Br)c1cccc(Cl)c1 ZINC000008566634 209785648 /nfs/dbraw/zinc/78/56/48/209785648.db2.gz COBAEPXVHHRALV-UHFFFAOYSA-N 0 0 387.660 5.989 50 0 GKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008571149 209784249 /nfs/dbraw/zinc/78/42/49/209784249.db2.gz JKOXUEXSNQRNGQ-UHFFFAOYSA-N 0 0 382.895 5.462 50 0 GKAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc3ccccc3c2)no1 ZINC000008429786 209781467 /nfs/dbraw/zinc/78/14/67/209781467.db2.gz JQCVKNBHVQGAAC-UHFFFAOYSA-N 0 0 375.453 5.076 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000008327715 209773772 /nfs/dbraw/zinc/77/37/72/209773772.db2.gz IFAJFASGHUELKE-KRWDZBQOSA-N 0 0 376.481 5.718 50 0 GKAARN O=C(c1cccc(OC(F)F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008115155 209762953 /nfs/dbraw/zinc/76/29/53/209762953.db2.gz OCCPHGNNVJPNQH-IBGZPJMESA-N 0 0 385.435 5.137 50 0 GKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Br)cc2)s1 ZINC000007997220 209758569 /nfs/dbraw/zinc/75/85/69/209758569.db2.gz HKZWHNFOMPUBAT-UHFFFAOYSA-N 0 0 393.331 5.124 50 0 GKAARN COc1ccc(CN(C)C(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000007871771 209750296 /nfs/dbraw/zinc/75/02/96/209750296.db2.gz WLJQDGXPWDYMFF-UHFFFAOYSA-N 0 0 377.509 5.260 50 0 GKAARN Cc1c(-c2ccc(O)cc2)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000007847706 209748331 /nfs/dbraw/zinc/74/83/31/209748331.db2.gz ISOMSGODTGCLEL-UHFFFAOYSA-N 0 0 380.274 6.890 50 0 GKAARN COc1ccc(-c2csc3ncnc(N4CC=C(c5ccccc5)CC4)c23)cc1 ZINC000007780481 209746032 /nfs/dbraw/zinc/74/60/32/209746032.db2.gz KKFUCWDXXOCNGT-UHFFFAOYSA-N 0 0 399.519 5.661 50 0 GKAARN CC(=O)c1cccc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c1 ZINC000007735394 209741208 /nfs/dbraw/zinc/74/12/08/209741208.db2.gz IQOJQPWAKDMECJ-UHFFFAOYSA-N 0 0 378.497 5.093 50 0 GKAARN C[C@H]1CCc2sc(-c3nnc(SCc4cc(-c5ccco5)on4)o3)cc2C1 ZINC000007470456 209730523 /nfs/dbraw/zinc/73/05/23/209730523.db2.gz WCYAHFSDOKRANV-NSHDSACASA-N 0 0 399.497 5.463 50 0 GKAARN Clc1cccc(OCCSc2nc3ccccc3n2-c2ccccc2)c1 ZINC000007141512 209721194 /nfs/dbraw/zinc/72/11/94/209721194.db2.gz BCAGEBWAGUVWLS-UHFFFAOYSA-N 0 0 380.900 5.850 50 0 GKAARN CC(=O)c1cccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000006914930 209706538 /nfs/dbraw/zinc/70/65/38/209706538.db2.gz BQDXSURMAMWICF-NRFANRHFSA-N 0 0 387.414 5.280 50 0 GKAARN C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000006908572 209705909 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GKAARN CC(C)c1ccc(Nc2nc(Cl)nc(Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000002308331 209355708 /nfs/dbraw/zinc/35/57/08/209355708.db2.gz NXXMZLKFJPHBRX-UHFFFAOYSA-N 0 0 381.911 6.259 50 0 GKAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000002306796 209355847 /nfs/dbraw/zinc/35/58/47/209355847.db2.gz GWLOVFCHHOYNAZ-UHFFFAOYSA-N 0 0 391.268 5.124 50 0 GKAARN CN1C=C(c2ccc3ccccc3n2)[C@@H](c2c[nH]c3ccccc32)c2ccccc21 ZINC000002295910 209355152 /nfs/dbraw/zinc/35/51/52/209355152.db2.gz NUSKKJAEDSKKNC-HHHXNRCGSA-N 0 0 387.486 6.339 50 0 GKAARN O=C(Nc1cccc2ccccc21)Nc1cccc2c(-c3ccccc3)ccnc12 ZINC000002277952 209355179 /nfs/dbraw/zinc/35/51/79/209355179.db2.gz YMDGTZKNMKSQSM-UHFFFAOYSA-N 0 0 389.458 6.699 50 0 GKAARN Cc1ccc(-c2csc3ncn(-c4ccc(Br)cc4)c(=O)c23)cc1 ZINC000002280058 209355245 /nfs/dbraw/zinc/35/52/45/209355245.db2.gz LXKOPYKIOYOQMY-UHFFFAOYSA-N 0 0 397.297 5.185 50 0 GKAARN CCN(CC)c1nc(SC)nc(Cl)c1Cc1ccc(OC(C)C)cc1 ZINC000002287675 209355086 /nfs/dbraw/zinc/35/50/86/209355086.db2.gz YTMHGAOKVAJSHK-UHFFFAOYSA-N 0 0 379.957 5.076 50 0 GKAARN COc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 ZINC000002278372 209354852 /nfs/dbraw/zinc/35/48/52/209354852.db2.gz NECYRADWQZYUSX-UHFFFAOYSA-N 0 0 396.277 6.356 50 0 GKAARN CC(C)CNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002298553 209354590 /nfs/dbraw/zinc/35/45/90/209354590.db2.gz ZNVUBDQGUBVRAH-UHFFFAOYSA-N 0 0 384.549 5.282 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)COc1ccccc1)C(C)(C)C[C@]2(C)c1ccccc1 ZINC000002296047 209354430 /nfs/dbraw/zinc/35/44/30/209354430.db2.gz HZQTXAVRXNYMPB-HHHXNRCGSA-N 0 0 399.534 5.895 50 0 GKAARN CC(C)COc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000002259213 209353872 /nfs/dbraw/zinc/35/38/72/209353872.db2.gz JNFQUGSMKMLGLS-UHFFFAOYSA-N 0 0 387.439 5.177 50 0 GKAARN CCOc1ccc(C2=C(C)SC3=NNC(c4ccc(OCC)cc4)=CN32)cc1 ZINC000002271028 209353939 /nfs/dbraw/zinc/35/39/39/209353939.db2.gz IFNYCLKKUSLZBI-UHFFFAOYSA-N 0 0 393.512 5.094 50 0 GKAARN Cc1ccc(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)cc1 ZINC000002263340 209353456 /nfs/dbraw/zinc/35/34/56/209353456.db2.gz UKKOWKQKFGXZQS-UHFFFAOYSA-N 0 0 386.520 5.603 50 0 GKAARN Cc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002274604 209353378 /nfs/dbraw/zinc/35/33/78/209353378.db2.gz LYOUTEWWYWUNPV-UHFFFAOYSA-N 0 0 389.296 6.482 50 0 GKAARN Clc1ccc(CSc2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000002263311 209353394 /nfs/dbraw/zinc/35/33/94/209353394.db2.gz XNVWRPAXZXCVPR-UHFFFAOYSA-N 0 0 399.393 6.430 50 0 GKAARN CCc1nc2sc(C(=O)Nc3ccccc3Cl)c(N)c2c2c1CCCC2 ZINC000002246815 209353126 /nfs/dbraw/zinc/35/31/26/209353126.db2.gz ROHPISPWPCZISV-UHFFFAOYSA-N 0 0 385.920 5.225 50 0 GKAARN Fc1ccc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000002252539 209352830 /nfs/dbraw/zinc/35/28/30/209352830.db2.gz YJQXWVJWSVBVKQ-UHFFFAOYSA-N 0 0 379.435 5.505 50 0 GKAARN Cc1ccc(-c2csc3cc(-c4ccc(Br)cc4)oc(=O)c23)cc1 ZINC000002253150 209352628 /nfs/dbraw/zinc/35/26/28/209352628.db2.gz HMNZVIKHSQCKRC-UHFFFAOYSA-N 0 0 397.293 6.259 50 0 GKAARN Cc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1Cl ZINC000002255118 209352118 /nfs/dbraw/zinc/35/21/18/209352118.db2.gz YYTWVMVWFQJKGV-UHFFFAOYSA-N 0 0 376.872 5.659 50 0 GKAARN COc1ccc([C@H](CCN(Cc2ccccc2)C(C)=O)Cc2ccccc2)cc1 ZINC000002219357 209351643 /nfs/dbraw/zinc/35/16/43/209351643.db2.gz MOYXATQMBACQMN-RUZDIDTESA-N 0 0 387.523 5.460 50 0 GKAARN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000002220070 209351707 /nfs/dbraw/zinc/35/17/07/209351707.db2.gz KRVSBZUFHJGKCY-NRFANRHFSA-N 0 0 394.858 5.215 50 0 GKAARN CCCN(CCC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000002229437 209351715 /nfs/dbraw/zinc/35/17/15/209351715.db2.gz WGDNXXGGILQPOX-UHFFFAOYSA-N 0 0 382.577 5.553 50 0 GKAARN CCCCc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 ZINC000002230342 209351762 /nfs/dbraw/zinc/35/17/62/209351762.db2.gz WFXUCQPZZITBSC-UHFFFAOYSA-N 0 0 389.318 5.215 50 0 GKAARN CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C)CC3 ZINC000002230112 209351430 /nfs/dbraw/zinc/35/14/30/209351430.db2.gz IFMPIXXWLPUCHQ-CQSZACIVSA-N 0 0 384.570 5.133 50 0 GKAARN CC(C)Cc1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1CCC2 ZINC000002225216 209351338 /nfs/dbraw/zinc/35/13/38/209351338.db2.gz RAGWLEDDQLSMJZ-UHFFFAOYSA-N 0 0 388.540 5.539 50 0 GKAARN CC(C)(C)c1cc(NC2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002225943 209350837 /nfs/dbraw/zinc/35/08/37/209350837.db2.gz JEASXWHAGWODDS-UHFFFAOYSA-N 0 0 382.939 6.092 50 0 GKAARN Cn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1cccs1 ZINC000002206871 209350084 /nfs/dbraw/zinc/35/00/84/209350084.db2.gz NFKWVZYYKSERFE-UHFFFAOYSA-N 0 0 394.883 5.173 50 0 GKAARN CCCc1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 ZINC000002193576 209349992 /nfs/dbraw/zinc/34/99/92/209349992.db2.gz QMFNAFIPYLPHCN-UHFFFAOYSA-N 0 0 390.490 6.078 50 0 GKAARN Cc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002185872 209349106 /nfs/dbraw/zinc/34/91/06/209349106.db2.gz STOJFKSFNNLXMX-UHFFFAOYSA-N 0 0 386.498 7.386 50 0 GKAARN CCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000002181971 209348966 /nfs/dbraw/zinc/34/89/66/209348966.db2.gz SJCFZNCOMUGNJJ-UHFFFAOYSA-N 0 0 398.597 5.667 50 0 GKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CCC1CCCCC1 ZINC000002185913 209349003 /nfs/dbraw/zinc/34/90/03/209349003.db2.gz AIIDDBCPAPSVQB-CVDCTZTESA-N 0 0 376.544 6.326 50 0 GKAARN CCCCCCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O ZINC000002126408 209347854 /nfs/dbraw/zinc/34/78/54/209347854.db2.gz PFOYTDQUEQDXNM-UHFFFAOYSA-N 0 0 388.507 7.254 50 0 biogenic GKAARN Brc1cccc(CNc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000002138515 209347532 /nfs/dbraw/zinc/34/75/32/209347532.db2.gz HWJRSKCVVMTDGB-UHFFFAOYSA-N 0 0 395.325 6.338 50 0 GKAARN CC[C@@H](NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21)c1ccccc1 ZINC000002107690 209347256 /nfs/dbraw/zinc/34/72/56/209347256.db2.gz JXLMFQJADSWDGO-HSZRJFAPSA-N 0 0 380.491 6.091 50 0 GKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CCCCCC1 ZINC000002103178 209347328 /nfs/dbraw/zinc/34/73/28/209347328.db2.gz ZFGBENDBUVGORD-UHFFFAOYSA-N 0 0 392.930 6.316 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1-c1ccc(F)cc1 ZINC000002101246 209347048 /nfs/dbraw/zinc/34/70/48/209347048.db2.gz YFIQBMWZAKQQAG-UHFFFAOYSA-N 0 0 383.444 5.292 50 0 GKAARN COc1cccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)c1 ZINC000002092157 209346686 /nfs/dbraw/zinc/34/66/86/209346686.db2.gz NHBLVYMMZNXZDJ-AREMUKBSSA-N 0 0 385.507 5.830 50 0 GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cccc(C)c4C)c(C)c3cc12 ZINC000002096057 209346599 /nfs/dbraw/zinc/34/65/99/209346599.db2.gz BYDBCRYEKXPXFD-UHFFFAOYSA-N 0 0 389.451 5.344 50 0 biogenic GKAARN CC(C)(C)C(=O)[C@H]1C(C(C)(C)C)=CC(c2ccccc2)=C[C@]1(C)c1ccccc1 ZINC000002082822 209346362 /nfs/dbraw/zinc/34/63/62/209346362.db2.gz CPMXTCXVNZTJJT-UFHPHHKVSA-N 0 0 386.579 7.245 50 0 GKAARN CCOc1cc(CNc2ccccc2C)ccc1OCc1cccc2ccccc21 ZINC000002093756 209346464 /nfs/dbraw/zinc/34/64/64/209346464.db2.gz DNEXRTXCYDHCHQ-UHFFFAOYSA-N 0 0 397.518 6.738 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)cc1 ZINC000002078829 209346322 /nfs/dbraw/zinc/34/63/22/209346322.db2.gz DVZQYCSHZWDLQK-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002079340 209346009 /nfs/dbraw/zinc/34/60/09/209346009.db2.gz KTEDKAAJDDXNRK-SFHVURJKSA-N 0 0 395.458 5.638 50 0 GKAARN CCc1c(C)c2cc3c(-c4ccc(-c5ccccc5)cc4)coc3c(C)c2oc1=O ZINC000002091238 209346027 /nfs/dbraw/zinc/34/60/27/209346027.db2.gz DHDXWYNKLXEAQH-UHFFFAOYSA-N 0 0 394.470 7.052 50 0 biogenic GKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3C)c2c1 ZINC000002078826 209346082 /nfs/dbraw/zinc/34/60/82/209346082.db2.gz CJTLDYKTIHMQOK-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1)Nc1ccccc1-2 ZINC000002084571 209345780 /nfs/dbraw/zinc/34/57/80/209345780.db2.gz VPBJYRXGSHEKAT-IBGZPJMESA-N 0 0 394.500 5.030 50 0 GKAARN c1sc2ncnc(N3CCCCCC3)c2c1-c1ccc(-c2ccccc2)cc1 ZINC000002083458 209345720 /nfs/dbraw/zinc/34/57/20/209345720.db2.gz XFGXSQGRCAGYKU-UHFFFAOYSA-N 0 0 385.536 6.406 50 0 GKAARN O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1cccc(Cl)c1 ZINC000002060238 209345361 /nfs/dbraw/zinc/34/53/61/209345361.db2.gz OYQCLTPUCLSYKQ-UHFFFAOYSA-N 0 0 395.911 5.764 50 0 GKAARN CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000002059639 209345026 /nfs/dbraw/zinc/34/50/26/209345026.db2.gz DAVMPNDGZVXWPX-AFMDSPMNSA-N 0 0 398.550 7.095 50 0 GKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002073058 209345051 /nfs/dbraw/zinc/34/50/51/209345051.db2.gz SPPMTPNEJLMIHH-QRWLVFNGSA-N 0 0 378.903 5.864 50 0 GKAARN CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2)c1ccccc1 ZINC000002070668 209345057 /nfs/dbraw/zinc/34/50/57/209345057.db2.gz QBWFYKKOKAEFMG-NVXWUHKLSA-N 0 0 399.556 5.570 50 0 GKAARN CCc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000002068485 209344878 /nfs/dbraw/zinc/34/48/78/209344878.db2.gz USPIDIPAOGAOJW-QFIPXVFZSA-N 0 0 398.333 6.982 50 0 GKAARN O=c1oc(-c2ccc(F)cc2)nc2sc3c(c21)CCCCCCCCCC3 ZINC000002060401 209344714 /nfs/dbraw/zinc/34/47/14/209344714.db2.gz CCOMIIOOFSKAEE-UHFFFAOYSA-N 0 0 385.504 6.275 50 0 GKAARN CCCCCCSc1nnc2c(n1)OC1(CCCCC1)Nc1ccccc1-2 ZINC000002073882 209344620 /nfs/dbraw/zinc/34/46/20/209344620.db2.gz TXWOPRYIQZVUFO-UHFFFAOYSA-N 0 0 384.549 5.676 50 0 biogenic GKAARN CCOc1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000002057317 209344643 /nfs/dbraw/zinc/34/46/43/209344643.db2.gz GLQNPKWOZSOYHR-UHFFFAOYSA-N 0 0 396.581 6.611 50 0 GKAARN COc1ccc(C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002058111 209344681 /nfs/dbraw/zinc/34/46/81/209344681.db2.gz UASNZFSRFTUSDM-SANMLTNESA-N 0 0 385.507 5.830 50 0 GKAARN COc1ccccc1[C@]1(C)CCc2oc3ccc(Cl)cc3c2-c2oc(C)cc21 ZINC000002070770 209344340 /nfs/dbraw/zinc/34/43/40/209344340.db2.gz KNKJGTZJXYKLPX-DEOSSOPVSA-N 0 0 392.882 6.915 50 0 GKAARN Cc1ccc(-c2ccc(OC(=O)C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000002062197 209344353 /nfs/dbraw/zinc/34/43/53/209344353.db2.gz RJQCXHOSZKTALM-UHFFFAOYSA-N 0 0 392.454 6.505 50 0 GKAARN CCCCCc1ccc(-c2ccc(-c3noc(-c4cccc(C)c4)n3)cc2)cc1 ZINC000002028758 209343568 /nfs/dbraw/zinc/34/35/68/209343568.db2.gz RIVGTORCQRLRPU-UHFFFAOYSA-N 0 0 382.507 7.112 50 0 GKAARN O[C@@H](c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001926830 209342780 /nfs/dbraw/zinc/34/27/80/209342780.db2.gz YBZKKZHQNTYVIG-HXUWFJFHSA-N 0 0 383.278 5.473 50 0 GKAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(CC)cc1 ZINC000001912361 209342248 /nfs/dbraw/zinc/34/22/48/209342248.db2.gz MPYMWTNVFLZJEA-UHFFFAOYSA-N 0 0 388.389 5.736 50 0 GKAARN CCc1ccc2oc(-c3ccc(OC)cc3)cc(=Nc3ccc(C(C)=O)cc3)c2c1 ZINC000001892550 209341619 /nfs/dbraw/zinc/34/16/19/209341619.db2.gz JRVGZELAHQQMTO-SOYKGTTHSA-N 0 0 397.474 6.106 50 0 GKAARN O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc(Br)cc1 ZINC000001884717 209341711 /nfs/dbraw/zinc/34/17/11/209341711.db2.gz XCMGYVRVWJILMT-OVCLIPMQSA-N 0 0 379.253 5.735 50 0 biogenic GKAARN CCCCCCc1cc2c(cc1OC(C)=O)occ(-c1csc(C)n1)c2=O ZINC000001886830 209341032 /nfs/dbraw/zinc/34/10/32/209341032.db2.gz GDFSQAOVDMJYCK-UHFFFAOYSA-N 0 0 385.485 5.273 50 0 GKAARN CCOc1ccccc1-n1sc2c(c1=S)-c1cc(C)ccc1NC2(C)C ZINC000001833001 209340330 /nfs/dbraw/zinc/34/03/30/209340330.db2.gz RHCWQWPWUUMMNI-UHFFFAOYSA-N 0 0 382.554 6.303 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccccc1 ZINC000001801800 209340041 /nfs/dbraw/zinc/34/00/41/209340041.db2.gz MORFQTVEKOJDGH-UHFFFAOYSA-N 0 0 399.899 5.806 50 0 GKAARN CCCCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000001814912 209340153 /nfs/dbraw/zinc/34/01/53/209340153.db2.gz QDUGQGFNAYLDMS-UHFFFAOYSA-N 0 0 391.565 6.287 50 0 GKAARN COC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000001808643 209340162 /nfs/dbraw/zinc/34/01/62/209340162.db2.gz YFQGGEJMWACDMG-UHFFFAOYSA-N 0 0 389.842 5.480 50 0 GKAARN Cc1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1 ZINC000001797475 209339652 /nfs/dbraw/zinc/33/96/52/209339652.db2.gz YHDFJDDGMMOSKZ-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN Cc1cc(OCc2ccc(Cl)cc2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797547 209339427 /nfs/dbraw/zinc/33/94/27/209339427.db2.gz FSXZZLCRVFRXPL-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN c1ccc(CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c32)cc1 ZINC000001815102 209339469 /nfs/dbraw/zinc/33/94/69/209339469.db2.gz WHEXMOHKCSLLDV-UHFFFAOYSA-N 0 0 377.447 6.169 50 0 GKAARN CCCCCCNc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000001824583 209339596 /nfs/dbraw/zinc/33/95/96/209339596.db2.gz KHGMEITVLVVQGN-UHFFFAOYSA-N 0 0 384.549 5.391 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C)c(C)c1 ZINC000001777886 209338854 /nfs/dbraw/zinc/33/88/54/209338854.db2.gz FVRPSUUGWOVLON-UHFFFAOYSA-N 0 0 379.481 5.461 50 0 GKAARN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000001781059 209338170 /nfs/dbraw/zinc/33/81/70/209338170.db2.gz OQKZBKQZKXVUJS-UHFFFAOYSA-N 0 0 392.282 5.735 50 0 GKAARN COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001514392 209331788 /nfs/dbraw/zinc/33/17/88/209331788.db2.gz YKNSVRPESVKNQJ-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000001738606 209336613 /nfs/dbraw/zinc/33/66/13/209336613.db2.gz PJJCBYSEEHKHLH-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000001646596 209335860 /nfs/dbraw/zinc/33/58/60/209335860.db2.gz GSPPYQYDYGNLGX-UHFFFAOYSA-N 0 0 392.458 5.858 50 0 GKAARN O=C(c1cnc(Nc2ccccc2Cl)s1)c1ccc(Br)cc1 ZINC000001399957 209326408 /nfs/dbraw/zinc/32/64/08/209326408.db2.gz PFDAGLSMZKVGBH-UHFFFAOYSA-N 0 0 393.693 5.534 50 0 GKAARN Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000001407179 209326558 /nfs/dbraw/zinc/32/65/58/209326558.db2.gz ZQBIBLMWKQPJNY-UHFFFAOYSA-N 0 0 388.212 5.086 50 0 GKAARN Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C ZINC000001401786 209326226 /nfs/dbraw/zinc/32/62/26/209326226.db2.gz OEYAKLNSLFCQOP-UHFFFAOYSA-N 0 0 398.293 5.364 50 0 GKAARN COc1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1 ZINC000001398255 209326274 /nfs/dbraw/zinc/32/62/74/209326274.db2.gz IEBCJSGAPAXLDM-UHFFFAOYSA-N 0 0 388.294 5.111 50 0 GKAARN CCOC(=O)c1c(-n2cccc2)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000001400592 209326355 /nfs/dbraw/zinc/32/63/55/209326355.db2.gz BIZDEEGVOZWLTB-UHFFFAOYSA-N 0 0 378.859 5.310 50 0 GKAARN Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000001386178 209325825 /nfs/dbraw/zinc/32/58/25/209325825.db2.gz ZIGIMICLZAQPOQ-UHFFFAOYSA-N 0 0 393.324 5.613 50 0 GKAARN Cc1cc(-c2ccccc2)nc(Cl)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001393810 209325269 /nfs/dbraw/zinc/32/52/69/209325269.db2.gz WMPKNGMORAFYES-UHFFFAOYSA-N 0 0 378.280 5.197 50 0 GKAARN CSc1nnc(-c2sccc2OCc2ccc(Cl)cc2Cl)n1C ZINC000001395879 209325366 /nfs/dbraw/zinc/32/53/66/209325366.db2.gz FWYLPZHZJQXRCC-UHFFFAOYSA-N 0 0 386.329 5.151 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000001392107 209325069 /nfs/dbraw/zinc/32/50/69/209325069.db2.gz QEJMRAKMLSPWAE-UHFFFAOYSA-N 0 0 395.336 5.848 50 0 GKAARN COc1ccc(Cn2c3cc(C)c(C)cc3nc2-c2ccc(Cl)nc2)cc1 ZINC000001383361 209324968 /nfs/dbraw/zinc/32/49/68/209324968.db2.gz AVRDWBKDUSYJTK-UHFFFAOYSA-N 0 0 377.875 5.425 50 0 GKAARN Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)c1ccc(Cl)cc1 ZINC000001386294 209325020 /nfs/dbraw/zinc/32/50/20/209325020.db2.gz HDOHFGICQHEJBX-UHFFFAOYSA-N 0 0 377.296 5.355 50 0 GKAARN COc1ccc(CC(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000001245507 209317443 /nfs/dbraw/zinc/31/74/43/209317443.db2.gz JBEJVNPIQUJTOQ-UHFFFAOYSA-N 0 0 377.465 5.076 50 0 biogenic GKAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(C(F)(F)F)cc1 ZINC000009827838 209324565 /nfs/dbraw/zinc/32/45/65/209324565.db2.gz VFEKURCJPZCDHL-UHFFFAOYSA-N 0 0 398.340 5.316 50 0 GKAARN COc1ccc(SCC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 ZINC000010219167 209323093 /nfs/dbraw/zinc/32/30/93/209323093.db2.gz IYFMYJVNHSNYSM-UHFFFAOYSA-N 0 0 384.526 5.166 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000010215603 209321277 /nfs/dbraw/zinc/32/12/77/209321277.db2.gz HSQWVGYJWDAVCK-QPPBQGQZSA-N 0 0 385.467 5.031 50 0 GKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccco2)cc1 ZINC000010215104 209321304 /nfs/dbraw/zinc/32/13/04/209321304.db2.gz FENSELHAZQZNEG-SIKLNZKXSA-N 0 0 394.858 5.574 50 0 GKAARN CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cc(Cl)c1OC ZINC000009956417 209320727 /nfs/dbraw/zinc/32/07/27/209320727.db2.gz MAPSKWUZXNMLPY-TZZQJPOUSA-N 0 0 385.891 5.124 50 0 GKAARN Cc1ccc([C@H](CC(=O)N[C@H](C)Cc2ccccc2)c2ccccc2)c(O)c1C ZINC000001317921 209319694 /nfs/dbraw/zinc/31/96/94/209319694.db2.gz JTDNBHFWYNTDGV-NTKDMRAZSA-N 0 0 387.523 5.278 50 0 biogenic GKAARN Cc1ccc([C@H](CC(=O)N[C@@H](C)Cc2ccccc2)c2ccccc2)c(O)c1C ZINC000001317918 209319701 /nfs/dbraw/zinc/31/97/01/209319701.db2.gz JTDNBHFWYNTDGV-YADARESESA-N 0 0 387.523 5.278 50 0 biogenic GKAARN COc1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000001506157 209331007 /nfs/dbraw/zinc/33/10/07/209331007.db2.gz GEGFMUDBORELLK-UHFFFAOYSA-N 0 0 376.437 5.350 50 0 GKAARN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000001471303 209330829 /nfs/dbraw/zinc/33/08/29/209330829.db2.gz HSEHBTCEGONKMH-UHFFFAOYSA-N 0 0 377.296 5.646 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)c(C)c1 ZINC000001510119 209330642 /nfs/dbraw/zinc/33/06/42/209330642.db2.gz LFXGRYPVKNQCQU-UHFFFAOYSA-N 0 0 377.296 5.986 50 0 GKAARN C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2n1C(F)F ZINC000010320115 209329933 /nfs/dbraw/zinc/32/99/33/209329933.db2.gz HRHLCKRTIOXRIF-GFCCVEGCSA-N 0 0 389.471 5.253 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001453235 209329741 /nfs/dbraw/zinc/32/97/41/209329741.db2.gz KCBZSLHURBNTLM-BJMVGYQFSA-N 0 0 389.307 5.693 50 0 GKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2F)c1Sc1ccccc1 ZINC000001447498 209328017 /nfs/dbraw/zinc/32/80/17/209328017.db2.gz RQPJJNVYLKSBNN-UHFFFAOYSA-N 0 0 384.476 5.456 50 0 GKAARN CC1=C(O[C@H](C)C(=O)c2ccc(Cl)cc2)C(C)(C)[C@@H](c2ccccc2)OC1=O ZINC000001438463 209327939 /nfs/dbraw/zinc/32/79/39/209327939.db2.gz ZHEPZPAGKCQMNN-QVKFZJNVSA-N 0 0 398.886 5.526 50 0 GKAARN Oc1ccccc1-c1nn(CN(c2ccccc2)c2ccccc2)c(=S)o1 ZINC000001434202 209327694 /nfs/dbraw/zinc/32/76/94/209327694.db2.gz XVWYWRPMCIJUSD-UHFFFAOYSA-N 0 0 375.453 5.374 50 0 GKAARN O=C1O[C@H](c2ccc(Br)cc2)C2(CCCC2)C(=O)C12CCCCC2 ZINC000001440401 209327788 /nfs/dbraw/zinc/32/77/88/209327788.db2.gz UZIUVMKALGBYFK-MRXNPFEDSA-N 0 0 391.305 5.127 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc2ccccc2o1 ZINC000001219059 209316444 /nfs/dbraw/zinc/31/64/44/209316444.db2.gz MQMTUEABPIIMLF-UHFFFAOYSA-N 0 0 388.810 6.147 50 0 GKAARN O=C(Nc1ccccc1)c1cccc(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000001229018 209315677 /nfs/dbraw/zinc/31/56/77/209315677.db2.gz NIDVWHVHDBUQQV-UHFFFAOYSA-N 0 0 382.419 5.050 50 0 GKAARN O=C(COc1ccccc1)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000001212527 209315097 /nfs/dbraw/zinc/31/50/97/209315097.db2.gz OTDGGUYMHWRXQA-UHFFFAOYSA-N 0 0 394.430 5.666 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000001207396 209315024 /nfs/dbraw/zinc/31/50/24/209315024.db2.gz LYGGKUVMLHABCF-UHFFFAOYSA-N 0 0 384.357 5.210 50 0 GKAARN CCc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3O)nc2c1 ZINC000001208002 209314813 /nfs/dbraw/zinc/31/48/13/209314813.db2.gz REDLVJZQSFGUDC-UKTHLTGXSA-N 0 0 384.435 5.415 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)Cc1ccccc1 ZINC000001216715 209314451 /nfs/dbraw/zinc/31/44/51/209314451.db2.gz KDEQDUHFRZLRMB-UHFFFAOYSA-N 0 0 376.843 5.638 50 0 GKAARN COc1ccc(C[C@H](c2nc3ccccc3[nH]2)[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000001205666 209313831 /nfs/dbraw/zinc/31/38/31/209313831.db2.gz CYYBFUSTFOYCEL-LPHOPBHVSA-N 0 0 396.494 5.578 50 0 GKAARN Cc1onc(-c2ccccc2)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000001199522 209313780 /nfs/dbraw/zinc/31/37/80/209313780.db2.gz ARJUUXSNKLAGRB-UHFFFAOYSA-N 0 0 396.490 5.602 50 0 GKAARN COc1ccc(CCNC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000001200535 209313506 /nfs/dbraw/zinc/31/35/06/209313506.db2.gz KNVYXJALYYCANB-UHFFFAOYSA-N 0 0 396.490 5.191 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000001200874 209313183 /nfs/dbraw/zinc/31/31/83/209313183.db2.gz MMNQNINMZDVIKB-SDNWHVSQSA-N 0 0 386.476 5.624 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000001195418 209312792 /nfs/dbraw/zinc/31/27/92/209312792.db2.gz NFDMBDNPUDBJJD-UHFFFAOYSA-N 0 0 385.419 5.111 50 0 GKAARN CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(OC)cc1 ZINC000001186304 209312440 /nfs/dbraw/zinc/31/24/40/209312440.db2.gz WXWPLUJAJQGFDX-UHFFFAOYSA-N 0 0 382.485 5.032 50 0 GKAARN Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(C(C)(C)C)cc3)s2)c1 ZINC000001179317 209310995 /nfs/dbraw/zinc/31/09/95/209310995.db2.gz SLJTULVZHQEXIK-UHFFFAOYSA-N 0 0 396.516 5.367 50 0 GKAARN O=C(COc1cccc(Cl)c1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001220962 209316753 /nfs/dbraw/zinc/31/67/53/209316753.db2.gz VQLFVSWZZMLUIG-UHFFFAOYSA-N 0 0 393.295 5.058 50 0 GKAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000001166887 209309401 /nfs/dbraw/zinc/30/94/01/209309401.db2.gz ZUHLMGBFMDHRLB-UHFFFAOYSA-N 0 0 391.492 5.326 50 0 GKAARN Cc1c(C)c2cc(Cl)c(OCc3ccccc3Br)cc2oc1=O ZINC000001165237 209308997 /nfs/dbraw/zinc/30/89/97/209308997.db2.gz PWIWPBMSLLUKIA-UHFFFAOYSA-N 0 0 393.664 5.405 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3ccccc3n2)cc1 ZINC000001164226 209308868 /nfs/dbraw/zinc/30/88/68/209308868.db2.gz MWITYJHQNSRCKD-UHFFFAOYSA-N 0 0 396.490 6.170 50 0 GKAARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 ZINC000001165479 209308978 /nfs/dbraw/zinc/30/89/78/209308978.db2.gz VNRVJTJTZODAGO-UHFFFAOYSA-N 0 0 388.467 5.112 50 0 GKAARN CC(C)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000001178719 209311031 /nfs/dbraw/zinc/31/10/31/209311031.db2.gz HTKMXVVGBCFTFI-UHFFFAOYSA-N 0 0 399.288 5.115 50 0 GKAARN COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1O ZINC000001177005 209310854 /nfs/dbraw/zinc/31/08/54/209310854.db2.gz ZPEQMWVRDJWJFO-UHFFFAOYSA-N 0 0 378.378 5.403 50 0 GKAARN Cc1ccc2ccccc2c1Cn1c2ccccc2nc1[C@@H](O)c1ccccc1 ZINC000001175912 209310415 /nfs/dbraw/zinc/31/04/15/209310415.db2.gz 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209255042 /nfs/dbraw/zinc/25/50/42/209255042.db2.gz AAJCURWPEJCFTQ-HSZRJFAPSA-N 0 0 386.882 5.609 50 0 GKAARN O=C(Nc1ccc(Br)cc1)Oc1ccc(Cl)c2cccnc12 ZINC000000641051 209254394 /nfs/dbraw/zinc/25/43/94/209254394.db2.gz APVSSUMMPUFEFP-UHFFFAOYSA-N 0 0 377.625 5.262 50 0 GKAARN O=C(Nc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1)c1ccccc1 ZINC000000644474 209254424 /nfs/dbraw/zinc/25/44/24/209254424.db2.gz XONJEPYGVLCWEQ-UHFFFAOYSA-N 0 0 387.464 5.512 50 0 GKAARN CCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1cccc(Cl)c1 ZINC000000643335 209254059 /nfs/dbraw/zinc/25/40/59/209254059.db2.gz NXYQJDBXCBGGLE-UHFFFAOYSA-N 0 0 386.904 5.855 50 0 GKAARN CCOc1ccccc1Nc1nc(-c2cc3cccc(OC)c3oc2=O)cs1 ZINC000000633705 209252758 /nfs/dbraw/zinc/25/27/58/209252758.db2.gz QQGWDOFPFCUAQI-UHFFFAOYSA-N 0 0 394.452 5.067 50 0 GKAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(F)c(Oc2ccccc2)c1 ZINC000000646038 209253707 /nfs/dbraw/zinc/25/37/07/209253707.db2.gz IXVZBXDSWMARLH-UNOMPAQXSA-N 0 0 377.346 5.102 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000000643345 209253794 /nfs/dbraw/zinc/25/37/94/209253794.db2.gz DMXQFYRSRQRSGZ-UHFFFAOYSA-N 0 0 377.284 5.375 50 0 GKAARN Cc1nnc(SCC(=O)c2c(C)cc(C)cc2C)n1-c1cccc(C)c1C ZINC000000623999 209252024 /nfs/dbraw/zinc/25/20/24/209252024.db2.gz AIIIDYIPJIUHQK-UHFFFAOYSA-N 0 0 379.529 5.093 50 0 GKAARN Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1 ZINC000009136288 209250841 /nfs/dbraw/zinc/25/08/41/209250841.db2.gz VWBSSLMLVFUWKX-UHFFFAOYSA-N 0 0 384.479 5.035 50 0 GKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cc(C)cc(C)c3)ccc1O2 ZINC000009135367 209249932 /nfs/dbraw/zinc/24/99/32/209249932.db2.gz LMXUMFUDBVEACM-UHFFFAOYSA-N 0 0 386.451 5.246 50 0 GKAARN O=C(NC1CC1)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2 ZINC000033499026 209244552 /nfs/dbraw/zinc/24/45/52/209244552.db2.gz DARMPLVVFNNJKX-SEYXRHQNSA-N 0 0 392.861 5.406 50 0 GKAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc(Cl)cc1 ZINC000033523961 209244246 /nfs/dbraw/zinc/24/42/46/209244246.db2.gz XWTNJTMDXKSTNA-XFXZXTDPSA-N 0 0 376.765 5.013 50 0 GKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C\c1ccccc1OC(F)F ZINC000096404417 209239359 /nfs/dbraw/zinc/23/93/59/209239359.db2.gz UMSULOMGTHVYRG-YLGBQOPLSA-N 0 0 388.439 5.131 50 0 GKAARN COc1cccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc32)c1 ZINC000015880496 209235670 /nfs/dbraw/zinc/23/56/70/209235670.db2.gz UBFPRNAEEKHLOE-UHFFFAOYSA-N 0 0 387.435 5.581 50 0 GKAARN Cc1c2ccc(NC(=O)c3ccc(C)cc3)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729342 209235952 /nfs/dbraw/zinc/23/59/52/209235952.db2.gz ISQXUQFJRQKHOM-UHFFFAOYSA-N 0 0 383.447 5.841 50 0 GKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccco1 ZINC000004043720 209231127 /nfs/dbraw/zinc/23/11/27/209231127.db2.gz PRWRSYXOTWOYRP-ZCYQVOJMSA-N 0 0 397.559 5.490 50 0 biogenic GKAARN COc1ccccc1-c1coc2cc(OCc3cc(C)ccc3C)ccc2c1=O ZINC000001829572 209229255 /nfs/dbraw/zinc/22/92/55/209229255.db2.gz GMQNRONXCHLPAL-UHFFFAOYSA-N 0 0 386.447 5.664 50 0 biogenic GKAARN C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000003830767 209228521 /nfs/dbraw/zinc/22/85/21/209228521.db2.gz UYIFTLBWAOGQBI-FCRIMTMASA-N 0 0 376.496 5.123 50 0 biogenic,in-man GKAARN CCOC(=O)c1c2cc(OCc3ccc(F)cc3)ccc2oc1-c1ccccc1 ZINC000002286872 209230146 /nfs/dbraw/zinc/23/01/46/209230146.db2.gz CJYKXSKEKGCGGD-UHFFFAOYSA-N 0 0 390.410 5.995 50 0 GKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4cccc(OC)c4)ccc32)cc1 ZINC000002228663 209229471 /nfs/dbraw/zinc/22/94/71/209229471.db2.gz BXXDPKSIISFPTF-UHFFFAOYSA-N 0 0 388.419 5.056 50 0 biogenic GKAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)c1ccccc1 ZINC000001447932 209227916 /nfs/dbraw/zinc/22/79/16/209227916.db2.gz SCHPYMIYBHYYOQ-UHFFFAOYSA-N 0 0 390.822 5.375 50 0 GKAARN CCc1cc2c(cc1OC(C)C)oc(CC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000000630396 209227921 /nfs/dbraw/zinc/22/79/21/209227921.db2.gz ZTFQBMXTSMUZNL-UHFFFAOYSA-N 0 0 380.440 5.101 50 0 biogenic GKAARN Cc1oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1C(=O)OC(C)C ZINC000000946555 209227754 /nfs/dbraw/zinc/22/77/54/209227754.db2.gz KKXBUIBKRSGNBB-UHFFFAOYSA-N 0 0 393.266 6.192 50 0 GKAARN COc1cccc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)c1 ZINC000001105777 209227125 /nfs/dbraw/zinc/22/71/25/209227125.db2.gz REOUEWWIONUCTD-UHFFFAOYSA-N 0 0 392.382 5.312 50 0 GKAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000001204136 209226631 /nfs/dbraw/zinc/22/66/31/209226631.db2.gz CFQPOWRJAPPJEW-NRFANRHFSA-N 0 0 398.462 5.238 50 0 biogenic GKAARN Cc1ccc(C(=O)N2c3ccc(C)cc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002060905 212263819 /nfs/dbraw/zinc/26/38/19/212263819.db2.gz NLXYHQDCTYKPBV-MHZLTWQESA-N 0 0 383.535 6.439 50 0 aggregator GKAARN O=C(CCCc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002061766 212263416 /nfs/dbraw/zinc/26/34/16/212263416.db2.gz AMYYRWQWZLMIAY-UHFFFAOYSA-N 0 0 377.871 5.532 50 0 GKAARN Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1C ZINC000002078900 212263534 /nfs/dbraw/zinc/26/35/34/212263534.db2.gz IJDDHODZXOJROR-UHFFFAOYSA-N 0 0 387.866 6.391 50 0 GKAARN CC1(C)Nc2ccccc2-c2c(=S)n(-c3ccc(Cl)c(Cl)c3)sc21 ZINC000002055963 212263575 /nfs/dbraw/zinc/26/35/75/212263575.db2.gz ZSPHWPWCUDTKSU-UHFFFAOYSA-N 0 0 393.364 6.903 50 0 GKAARN CCCCc1ccc(-n2sc3c(c2=S)-c2cccc(C)c2NC3(C)C)cc1 ZINC000002060918 212263271 /nfs/dbraw/zinc/26/32/71/212263271.db2.gz LOAAJHUHYAFBJV-UHFFFAOYSA-N 0 0 394.609 7.247 50 0 GKAARN Cc1cccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@@H]2C)c1 ZINC000002067416 212262887 /nfs/dbraw/zinc/26/28/87/212262887.db2.gz XWIFCXBXMIJLQW-RDPSFJRHSA-N 0 0 384.523 6.204 50 0 GKAARN CCc1ccc(-n2sc3c(c2=S)-c2ccc(C)cc2N(C)C3(C)C)cc1 ZINC000002069163 212262971 /nfs/dbraw/zinc/26/29/71/212262971.db2.gz ASALXKSDFJZSOL-UHFFFAOYSA-N 0 0 380.582 6.491 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4cccc5ccccc54)c3C)nc2c1 ZINC000002068755 212262665 /nfs/dbraw/zinc/26/26/65/212262665.db2.gz AGNYQVKQJSIAEI-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN Cc1cc(C)c2c(c1)-c1c(=S)n(-c3ccc(C(C)C)cc3)sc1C(C)(C)N2 ZINC000002063125 212262763 /nfs/dbraw/zinc/26/27/63/212262763.db2.gz CCOVQLJKQLSDOV-UHFFFAOYSA-N 0 0 394.609 7.336 50 0 GKAARN CC[C@H](C(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl)c1ccccc1 ZINC000002073520 212262784 /nfs/dbraw/zinc/26/27/84/212262784.db2.gz NCHVMSBVEJIYKQ-IBGZPJMESA-N 0 0 398.934 5.535 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](CC(C)C)n2cccc2)c2ccccc12 ZINC000263588186 209223896 /nfs/dbraw/zinc/22/38/96/209223896.db2.gz QDYOVDQBKCOOPP-XZOQPEGZSA-N 0 0 390.527 5.601 50 0 GKAARN Cc1ccc(-c2csc3ncn(Cc4c(F)cccc4Cl)c(=O)c23)cc1C ZINC000001911948 212260466 /nfs/dbraw/zinc/26/04/66/212260466.db2.gz QBKHOGDLRVHGJS-UHFFFAOYSA-N 0 0 398.890 5.583 50 0 GKAARN CCOc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2Br)cc1 ZINC000001950431 212260492 /nfs/dbraw/zinc/26/04/92/212260492.db2.gz NIHSLPPZDWAXOX-NTEUORMPSA-N 0 0 397.268 5.620 50 0 GKAARN O=c1c(-c2ccccc2)coc2cc(OCc3c(F)cccc3Cl)ccc12 ZINC000001915151 212260278 /nfs/dbraw/zinc/26/02/78/212260278.db2.gz QHMJEWBBOANWEY-UHFFFAOYSA-N 0 0 380.802 5.832 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1Cl ZINC000001924928 212259938 /nfs/dbraw/zinc/25/99/38/212259938.db2.gz JOPBRICJBWDPME-UHFFFAOYSA-N 0 0 385.872 5.498 50 0 GKAARN CC(C)(C)c1ccc(C(=O)N2CCCC[C@H](Sc3ccccc3)C2=O)cc1 ZINC000001895248 212259195 /nfs/dbraw/zinc/25/91/95/212259195.db2.gz KBKCRFXEPZBOOV-FQEVSTJZSA-N 0 0 381.541 5.298 50 0 GKAARN Cc1ccc(-c2csc3ncnc(Oc4ccc5ccccc5c4)c23)cc1C ZINC000001895362 212259263 /nfs/dbraw/zinc/25/92/63/212259263.db2.gz WAXHIFNYWPXENA-UHFFFAOYSA-N 0 0 382.488 6.921 50 0 GKAARN c1ccc(-c2nc3c(c(N4CCCC4)n2)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000001889118 212259025 /nfs/dbraw/zinc/25/90/25/212259025.db2.gz KGLKMJNGQQTCDG-UHFFFAOYSA-N 0 0 381.523 5.779 50 0 GKAARN CCCOc1ccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3)n2)cc1 ZINC000001901872 212258664 /nfs/dbraw/zinc/25/86/64/212258664.db2.gz SFUSYPMVNPWSGH-UHFFFAOYSA-N 0 0 390.870 6.531 50 0 GKAARN O=c1oc2cc(OCc3c(F)cccc3Cl)c(Cl)cc2c2c1CCC2 ZINC000001797581 212257503 /nfs/dbraw/zinc/25/75/03/212257503.db2.gz IMYFUYWZDCXKAB-UHFFFAOYSA-N 0 0 379.214 5.307 50 0 GKAARN Cc1cc(OCc2ccc(Cl)cc2Cl)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001808402 212257273 /nfs/dbraw/zinc/25/72/73/212257273.db2.gz RARAGNDEBXRJBY-UHFFFAOYSA-N 0 0 389.278 5.866 50 0 GKAARN O=C(Sc1nc2ccccc2s1)N1c2ccccc2Sc2ccccc21 ZINC000001822726 212257369 /nfs/dbraw/zinc/25/73/69/212257369.db2.gz CHFGWRYBAAQOTN-UHFFFAOYSA-N 0 0 392.530 6.811 50 0 GKAARN CCCCN(CC)c1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000001833111 212256873 /nfs/dbraw/zinc/25/68/73/212256873.db2.gz WEFPHGAEXCAHRW-UHFFFAOYSA-N 0 0 384.549 5.026 50 0 GKAARN CCCCOc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001780009 212256335 /nfs/dbraw/zinc/25/63/35/212256335.db2.gz VMJDSLRVIVDHAJ-UHFFFAOYSA-N 0 0 389.245 5.527 50 0 GKAARN CCCCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 ZINC000001770618 212256365 /nfs/dbraw/zinc/25/63/65/212256365.db2.gz NMERQYDEMJXGOP-UHFFFAOYSA-N 0 0 383.488 5.093 50 0 GKAARN COc1ccc(OCCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001778298 212256381 /nfs/dbraw/zinc/25/63/81/212256381.db2.gz HSEBBIHZZKHXEB-UHFFFAOYSA-N 0 0 387.785 5.165 50 0 GKAARN Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 ZINC000001773741 212255841 /nfs/dbraw/zinc/25/58/41/212255841.db2.gz KIVJPGYSFAGKBO-UHFFFAOYSA-N 0 0 395.499 5.282 50 0 GKAARN CCCOC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000001771825 212255579 /nfs/dbraw/zinc/25/55/79/212255579.db2.gz GROCSHUQOZDEOU-UHFFFAOYSA-N 0 0 384.439 5.002 50 0 GKAARN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000001769997 212255673 /nfs/dbraw/zinc/25/56/73/212255673.db2.gz VEVYTUBMWUGCER-INIZCTEOSA-N 0 0 396.439 5.004 50 0 biogenic GKAARN O=c1oc2cc(OCc3cccc(Cl)c3)c(Cl)cc2c2c1CCCC2 ZINC000001745127 212255360 /nfs/dbraw/zinc/25/53/60/212255360.db2.gz RYCGNRSWYZHSTA-UHFFFAOYSA-N 0 0 375.251 5.558 50 0 GKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccccc1Cl ZINC000001772969 212255132 /nfs/dbraw/zinc/25/51/32/212255132.db2.gz YERGSCVWQLOMOO-UHFFFAOYSA-N 0 0 375.255 5.770 50 0 GKAARN O=c1oc2ccccc2cc1-c1nnc(Nc2ccc(Cl)cc2Cl)s1 ZINC000001658215 212252808 /nfs/dbraw/zinc/25/28/08/212252808.db2.gz FOLDCIFIFDZCAM-UHFFFAOYSA-N 0 0 390.251 5.362 50 0 GKAARN CCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000002050774 212261369 /nfs/dbraw/zinc/26/13/69/212261369.db2.gz SRRCBFFDDXXFLD-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN Cc1cccc(Cl)c1NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001590373 212250352 /nfs/dbraw/zinc/25/03/52/212250352.db2.gz QJXUDKAELHMPEL-UHFFFAOYSA-N 0 0 399.277 6.177 50 0 GKAARN COC(=O)c1cccc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)c1 ZINC000001466087 212247667 /nfs/dbraw/zinc/24/76/67/212247667.db2.gz LCKUPANJQDYOHC-UHFFFAOYSA-N 0 0 384.435 5.493 50 0 GKAARN COc1ccccc1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000253398121 209216959 /nfs/dbraw/zinc/21/69/59/209216959.db2.gz BYEVAPIRKYERLE-IBGZPJMESA-N 0 0 382.463 5.172 50 0 biogenic GKAARN Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(F)c2)c1Sc1ccccc1 ZINC000001447496 212245661 /nfs/dbraw/zinc/24/56/61/212245661.db2.gz RNJKCERVBHRMJB-UHFFFAOYSA-N 0 0 384.476 5.456 50 0 GKAARN CCOc1ccc(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1OCC ZINC000001432790 212245319 /nfs/dbraw/zinc/24/53/19/212245319.db2.gz VZSIVGQDVPJYRU-UHFFFAOYSA-N 0 0 392.377 5.144 50 0 GKAARN O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1cccc(Br)c1 ZINC000001441810 212245121 /nfs/dbraw/zinc/24/51/21/212245121.db2.gz IQSQXKFFXBGTMJ-AWEZNQCLSA-N 0 0 385.088 5.363 50 0 GKAARN O=C(CCCSc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000010217817 212238332 /nfs/dbraw/zinc/23/83/32/212238332.db2.gz NALQNDNRNORFDF-UHFFFAOYSA-N 0 0 387.508 5.741 50 0 GKAARN Cc1cc(C)c(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)c(C)c1 ZINC000001437026 212244232 /nfs/dbraw/zinc/24/42/32/212244232.db2.gz GWVGOSVRNCJOGG-BSAKGKMISA-N 0 0 381.519 6.094 50 0 GKAARN CC(C)(C)[C@H]1CC=C2C(=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)C1 ZINC000001422864 212243575 /nfs/dbraw/zinc/24/35/75/212243575.db2.gz VAWMKCNQDSNMFL-HNNXBMFYSA-N 0 0 394.465 6.018 50 0 GKAARN CC(=O)Nc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000001428240 212243095 /nfs/dbraw/zinc/24/30/95/212243095.db2.gz XDFHOEGHGGFQKU-UHFFFAOYSA-N 0 0 378.284 5.819 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000001413977 212243001 /nfs/dbraw/zinc/24/30/01/212243001.db2.gz DPMUZIPNHQNKGG-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN Brc1ccc(Oc2ncc(Cn3ccc4ccccc43)s2)cc1 ZINC000001396190 212242404 /nfs/dbraw/zinc/24/24/04/212242404.db2.gz LNWPLRNWOIJFSG-UHFFFAOYSA-N 0 0 385.286 5.701 50 0 GKAARN Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(C(F)(F)F)c1 ZINC000001398610 212242230 /nfs/dbraw/zinc/24/22/30/212242230.db2.gz DBSSPSRTCHYLKI-UHFFFAOYSA-N 0 0 397.809 5.372 50 0 GKAARN Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2ccccc2)cc1 ZINC000001397559 212242268 /nfs/dbraw/zinc/24/22/68/212242268.db2.gz LLJQKIUCLVWMCP-UHFFFAOYSA-N 0 0 387.508 5.276 50 0 GKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001397219 212242377 /nfs/dbraw/zinc/24/23/77/212242377.db2.gz SZMOTXDGOSSPQI-UHFFFAOYSA-N 0 0 396.821 6.043 50 0 GKAARN FC(F)(F)c1nc2ccccc2n2c(-c3ccc(Cl)cc3Cl)nnc12 ZINC000001381977 212241883 /nfs/dbraw/zinc/24/18/83/212241883.db2.gz FUILHHRFFGNVHD-UHFFFAOYSA-N 0 0 383.160 5.270 50 0 GKAARN Cc1cc2nccc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2n1 ZINC000001383699 212241384 /nfs/dbraw/zinc/24/13/84/212241384.db2.gz XSOLTLAYCIHBNM-UHFFFAOYSA-N 0 0 384.266 5.591 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1sc(-c2ccccc2)nc1C(F)(F)F ZINC000001385576 212241406 /nfs/dbraw/zinc/24/14/06/212241406.db2.gz QAPDWAFUJXUGQC-UHFFFAOYSA-N 0 0 384.329 5.359 50 0 GKAARN COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000001389611 212241171 /nfs/dbraw/zinc/24/11/71/212241171.db2.gz RELBDUPFJSBHPR-UHFFFAOYSA-N 0 0 381.646 5.286 50 0 GKAARN CSc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000010254576 212239846 /nfs/dbraw/zinc/23/98/46/212239846.db2.gz SKCMENYRSAQXAY-UHFFFAOYSA-N 0 0 388.920 5.315 50 0 GKAARN c1c(-c2ccccc2)nn(-c2cc(Oc3ccccc3)ncn2)c1-c1ccccc1 ZINC000001322077 212235468 /nfs/dbraw/zinc/23/54/68/212235468.db2.gz VYWIIDZZSXDWKT-UHFFFAOYSA-N 0 0 390.446 5.789 50 0 GKAARN CCc1cccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)c1 ZINC000001324337 212235617 /nfs/dbraw/zinc/23/56/17/212235617.db2.gz LEJPFNXWBQQTIW-UHFFFAOYSA-N 0 0 378.472 5.705 50 0 GKAARN COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccccc2)cc1 ZINC000001197343 212228023 /nfs/dbraw/zinc/22/80/23/212228023.db2.gz FGZBPUPMTQKSII-UHFFFAOYSA-N 0 0 386.476 5.738 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000001302568 212234477 /nfs/dbraw/zinc/23/44/77/212234477.db2.gz OGCGXNDCFLBNLI-QFIPXVFZSA-N 0 0 395.474 5.388 50 0 GKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001279662 212234283 /nfs/dbraw/zinc/23/42/83/212234283.db2.gz FOTJBRPEYFCENS-UHFFFAOYSA-N 0 0 393.295 5.443 50 0 GKAARN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000001296349 212234383 /nfs/dbraw/zinc/23/43/83/212234383.db2.gz BEQOYOBVWPKWFY-UHFFFAOYSA-N 0 0 383.447 5.669 50 0 biogenic GKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCCc2ccccc2)n1 ZINC000001301843 212234090 /nfs/dbraw/zinc/23/40/90/212234090.db2.gz JQBODEFLFGTWOM-UHFFFAOYSA-N 0 0 377.797 5.470 50 0 GKAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc(Cl)ccc1Cl ZINC000001300085 212233859 /nfs/dbraw/zinc/23/38/59/212233859.db2.gz XBUXSOINZZIOEO-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN Cc1csc2nc(CSc3nc4ccccc4s3)c(Br)n12 ZINC000001251405 212232840 /nfs/dbraw/zinc/23/28/40/212232840.db2.gz MUYVEYLXCWRWEE-UHFFFAOYSA-N 0 0 396.360 5.369 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)c(Cl)c3)s2)cc1C ZINC000001246857 212232636 /nfs/dbraw/zinc/23/26/36/212232636.db2.gz PYCNVELOULUKIB-UHFFFAOYSA-N 0 0 393.299 5.773 50 0 GKAARN COc1ccc(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 ZINC000001244143 212232369 /nfs/dbraw/zinc/23/23/69/212232369.db2.gz JQDQBYIJBXVEHC-UHFFFAOYSA-N 0 0 394.474 5.825 50 0 GKAARN COc1ccc(OC)c(/N=c2\ssc3c2-c2ccccc2NC3(C)C)c1 ZINC000001253406 212232021 /nfs/dbraw/zinc/23/20/21/212232021.db2.gz ZWLHTROFWQDTNS-VZCXRCSSSA-N 0 0 384.526 5.387 50 0 GKAARN CCOC(=O)c1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000001217502 212231196 /nfs/dbraw/zinc/23/11/96/212231196.db2.gz QBHQUAXBTCDQBQ-OAQYLSRUSA-N 0 0 391.492 5.335 50 0 GKAARN Nc1cc(C(=O)c2ccc(Oc3ccccc3)c(N)c2)ccc1Oc1ccccc1 ZINC000001233183 212231335 /nfs/dbraw/zinc/23/13/35/212231335.db2.gz SONDVQSYBUQGDH-UHFFFAOYSA-N 0 0 396.446 5.667 50 0 GKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cc5ccccc5o4)c3)oc2c(C)c1 ZINC000001216539 212230035 /nfs/dbraw/zinc/23/00/35/212230035.db2.gz BZQAUCLXGRHYFD-UHFFFAOYSA-N 0 0 396.446 6.419 50 0 GKAARN Cc1ccc(Nc2nnc(-c3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1 ZINC000001215574 212230039 /nfs/dbraw/zinc/23/00/39/212230039.db2.gz BAQDBPNONPOWJQ-UHFFFAOYSA-N 0 0 382.467 5.051 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C ZINC000001212275 212230111 /nfs/dbraw/zinc/23/01/11/212230111.db2.gz KXSRGUFGXCWUDW-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C)cc1C ZINC000001213879 212229048 /nfs/dbraw/zinc/22/90/48/212229048.db2.gz 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CC(=O)Nc1ccc2nc(SCc3c(C)cc(C)c(C(C)=O)c3C)sc2c1 ZINC000001126048 212220049 /nfs/dbraw/zinc/22/00/49/212220049.db2.gz JJJZECSWNIZTKW-UHFFFAOYSA-N 0 0 398.553 5.675 50 0 GKAARN Cc1cc(=O)oc2cc(NC(=S)Nc3ccccc3-c3ccccc3)ccc12 ZINC000001120377 212220093 /nfs/dbraw/zinc/22/00/93/212220093.db2.gz JUGWNQHRYMRTDD-UHFFFAOYSA-N 0 0 386.476 5.577 50 0 GKAARN Cc1cc(NC(=O)CCSc2ccc(Cl)cc2)ccc1Br ZINC000001172283 212224489 /nfs/dbraw/zinc/22/44/89/212224489.db2.gz VGBCAIBHMQMDFM-UHFFFAOYSA-N 0 0 384.726 5.532 50 0 GKAARN COc1c(Cl)cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl ZINC000001170141 212224504 /nfs/dbraw/zinc/22/45/04/212224504.db2.gz DVMHODKQLNWFLB-UHFFFAOYSA-N 0 0 398.595 5.927 50 0 GKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000001158915 212224123 /nfs/dbraw/zinc/22/41/23/212224123.db2.gz CDJMSTRBRSSNFS-UHFFFAOYSA-N 0 0 376.294 5.207 50 0 GKAARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000001140655 212222296 /nfs/dbraw/zinc/22/22/96/212222296.db2.gz KJJPFZJHTWFEOW-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/21/74/53/212217453.db2.gz PEKXAIMZRLKBJP-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccnc2)cc1 ZINC000001110286 212217381 /nfs/dbraw/zinc/21/73/81/212217381.db2.gz SDPWVUARKSHHGK-UHFFFAOYSA-N 0 0 391.478 5.403 50 0 GKAARN Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccncc2)cc1 ZINC000001088255 212216251 /nfs/dbraw/zinc/21/62/51/212216251.db2.gz NJLGPUYNDODQIO-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1Cl ZINC000001094706 212216473 /nfs/dbraw/zinc/21/64/73/212216473.db2.gz PCZXCQWOJYYOIA-RMKNXTFCSA-N 0 0 394.814 5.402 50 0 GKAARN CCc1ccccc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000001100134 212216505 /nfs/dbraw/zinc/21/65/05/212216505.db2.gz QPRRHYWYLVOBMJ-UHFFFAOYSA-N 0 0 395.886 5.742 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000001116121 212219167 /nfs/dbraw/zinc/21/91/67/212219167.db2.gz OMYPPHKVGOLXGG-UHFFFAOYSA-N 0 0 381.884 5.302 50 0 GKAARN CCOc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001116216 212218852 /nfs/dbraw/zinc/21/88/52/212218852.db2.gz MODYTSKTBVYVKC-UHFFFAOYSA-N 0 0 385.423 5.055 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c(C)c1 ZINC000001105208 212218280 /nfs/dbraw/zinc/21/82/80/212218280.db2.gz IWEWKDNCCWKBCY-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN O=c1[nH]c(C(Cl)=Cc2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12 ZINC000018913616 209182965 /nfs/dbraw/zinc/18/29/65/209182965.db2.gz BYWGXSWOUIZHMD-QPEQYQDCSA-N 0 0 385.172 5.745 50 0 GKAARN CC(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000033909748 209182186 /nfs/dbraw/zinc/18/21/86/209182186.db2.gz ORINERFSKHYWPA-WQRHYEAKSA-N 0 0 386.904 5.569 50 0 GKAARN Cc1cc(OCc2nc(-c3ccc(Cl)cc3)no2)ccc1Br ZINC000001096041 212216315 /nfs/dbraw/zinc/21/63/15/212216315.db2.gz ZCYLSWSEONZYRJ-UHFFFAOYSA-N 0 0 379.641 5.040 50 0 GKAARN Cc1cccc(C)c1N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000001079368 212215406 /nfs/dbraw/zinc/21/54/06/212215406.db2.gz INLOPAAHHQESCQ-UHFFFAOYSA-N 0 0 385.916 5.352 50 0 GKAARN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cccs1 ZINC000001085370 212215467 /nfs/dbraw/zinc/21/54/67/212215467.db2.gz NDFLYWSXRUIDMY-UHFFFAOYSA-N 0 0 389.263 6.115 50 0 GKAARN CCCc1c2c(nn1-c1cc(Cl)ccc1OC)C[C@@H](c1ccccc1)CC2=O ZINC000001080639 212215262 /nfs/dbraw/zinc/21/52/62/212215262.db2.gz XCSLDEIABVQKEM-MRXNPFEDSA-N 0 0 394.902 5.400 50 0 GKAARN Cc1c(O)ccc([C@]23CCC[C@H]2C2(CCCC2)c2ccc(O)c(C)c2O3)c1O ZINC000001079800 212215134 /nfs/dbraw/zinc/21/51/34/212215134.db2.gz QYRVEVBLKHVGPQ-GBXCKJPGSA-N 0 0 380.484 5.320 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1cccc(NC(=S)Nc2ccc(F)cc2)c1 ZINC000001087081 212214750 /nfs/dbraw/zinc/21/47/50/212214750.db2.gz NOEWTUBPCKPZGS-UHFFFAOYSA-N 0 0 399.878 5.540 50 0 GKAARN O=C(NCc1ccccc1F)c1cc(-c2ccccn2)nc2ccc(Cl)cc21 ZINC000001074191 212214403 /nfs/dbraw/zinc/21/44/03/212214403.db2.gz QIANNWSRKDFJNT-UHFFFAOYSA-N 0 0 391.833 5.019 50 0 GKAARN CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 ZINC000001071760 212214055 /nfs/dbraw/zinc/21/40/55/212214055.db2.gz YRUIWGMPJJSHRK-UHFFFAOYSA-N 0 0 399.849 5.709 50 0 GKAARN OC(COc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001043777 212210243 /nfs/dbraw/zinc/21/02/43/212210243.db2.gz HUGIUMYAEHKODD-UHFFFAOYSA-N 0 0 377.242 5.447 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1c(F)cccc1Cl ZINC000001048913 212210282 /nfs/dbraw/zinc/21/02/82/212210282.db2.gz BRWICVXQNYLLSI-UHFFFAOYSA-N 0 0 398.192 5.592 50 0 GKAARN S=C(Nc1ccc2ccccc2c1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001045304 212209797 /nfs/dbraw/zinc/20/97/97/212209797.db2.gz VIXBWFHOTWLJMZ-UHFFFAOYSA-N 0 0 381.715 6.609 50 0 GKAARN Fc1cc(Br)cc(F)c1NC(=S)Nc1cccc(Cl)c1 ZINC000001048629 212209801 /nfs/dbraw/zinc/20/98/01/212209801.db2.gz NNSVZFGNAYGEKM-UHFFFAOYSA-N 0 0 377.641 5.190 50 0 GKAARN Clc1cc2sc(Oc3cccc(N4CCOCC4)c3)nc2c(Cl)c1 ZINC000001042634 212209526 /nfs/dbraw/zinc/20/95/26/212209526.db2.gz UXHNBKWBBPDNKT-UHFFFAOYSA-N 0 0 381.284 5.232 50 0 GKAARN CCOC(=O)c1cnc2c(F)ccc(F)c2c1Sc1ccc(Cl)cc1 ZINC000001046897 212209261 /nfs/dbraw/zinc/20/92/61/212209261.db2.gz NBXCQRIUBBARJX-UHFFFAOYSA-N 0 0 379.815 5.494 50 0 GKAARN CCN(C(=O)Nc1c(C)onc1-c1c(Cl)cccc1Cl)c1ccccc1 ZINC000001047196 212209326 /nfs/dbraw/zinc/20/93/26/212209326.db2.gz PDHUYTDJOMBDCD-UHFFFAOYSA-N 0 0 390.270 6.015 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 ZINC000001038734 212208866 /nfs/dbraw/zinc/20/88/66/212208866.db2.gz VHYRYYPEJKNRDC-UHFFFAOYSA-N 0 0 378.375 5.238 50 0 GKAARN CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2cccc(C(F)(F)F)c2)S1 ZINC000001042015 212208601 /nfs/dbraw/zinc/20/86/01/212208601.db2.gz MXIRYBKJWGCJOI-UHFFFAOYSA-N 0 0 393.434 5.625 50 0 GKAARN COc1ccc(C(C)=O)cc1CSc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000001040753 212208611 /nfs/dbraw/zinc/20/86/11/212208611.db2.gz GUQXGAXWJOUDOF-UHFFFAOYSA-N 0 0 380.391 5.085 50 0 GKAARN Cc1c2cc(Cl)ccc2sc1C(=O)C[C@H]1OC(=O)C(Cl)=C1Cl ZINC000001040613 212208747 /nfs/dbraw/zinc/20/87/47/212208747.db2.gz XJRRDNHHMZRTEW-SNVBAGLBSA-N 0 0 375.660 5.051 50 0 GKAARN 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212171938 /nfs/dbraw/zinc/17/19/38/212171938.db2.gz FPWUNRHULGHBOE-AWEZNQCLSA-N 0 0 378.299 5.445 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000669076 212171761 /nfs/dbraw/zinc/17/17/61/212171761.db2.gz XLTISCJLIKQZLA-UHFFFAOYSA-N 0 0 395.673 5.540 50 0 GKAARN Cc1cc(C)n(C(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc32)n1 ZINC000000659440 212171419 /nfs/dbraw/zinc/17/14/19/212171419.db2.gz DVXGQEOUSWJRNY-UHFFFAOYSA-N 0 0 399.494 5.438 50 0 GKAARN Cc1ccccc1Oc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000000663874 212171561 /nfs/dbraw/zinc/17/15/61/212171561.db2.gz GVNJPRHYSYYMNH-UHFFFAOYSA-N 0 0 379.415 5.741 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1C ZINC000000659154 212171356 /nfs/dbraw/zinc/17/13/56/212171356.db2.gz MWIRDPXHWZLANP-UHFFFAOYSA-N 0 0 390.266 6.035 50 0 GKAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H](C)CC23CCCCC3)cc1 ZINC000000658474 212170987 /nfs/dbraw/zinc/17/09/87/212170987.db2.gz LDAHAXRSFTWXIK-LJQANCHMSA-N 0 0 383.557 5.396 50 0 GKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccc(Cl)cc1 ZINC000000661664 212170605 /nfs/dbraw/zinc/17/06/05/212170605.db2.gz FZPMTUAJXCLHKX-UHFFFAOYSA-N 0 0 397.862 5.590 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000000657112 212170376 /nfs/dbraw/zinc/17/03/76/212170376.db2.gz RBUIWMBXMBCDFK-UHFFFAOYSA-N 0 0 380.803 5.003 50 0 GKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C)cc4C)c(N)c3cc2C1 ZINC000000661835 212170545 /nfs/dbraw/zinc/17/05/45/212170545.db2.gz KXUNIBYKEWONEK-AWEZNQCLSA-N 0 0 379.529 5.263 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc2ccccc21)CCCCC3 ZINC000000691582 212175620 /nfs/dbraw/zinc/17/56/20/212175620.db2.gz VYZQOPXMNOVICT-UHFFFAOYSA-N 0 0 387.508 5.553 50 0 GKAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1c1ccc2c3c(cccc31)CC2 ZINC000000677869 212173658 /nfs/dbraw/zinc/17/36/58/212173658.db2.gz ABMLITJISUKRTG-UHFFFAOYSA-N 0 0 383.834 5.546 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl ZINC000000677304 212173297 /nfs/dbraw/zinc/17/32/97/212173297.db2.gz 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ZINC000000623909 212165393 /nfs/dbraw/zinc/16/53/93/212165393.db2.gz USIIGDPZTKJGSU-UHFFFAOYSA-N 0 0 391.467 5.048 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1 ZINC000000629427 212165504 /nfs/dbraw/zinc/16/55/04/212165504.db2.gz USSVSWAYMBMTOY-GOSISDBHSA-N 0 0 395.977 5.074 50 0 GKAARN Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NCc3ccncc3)c2c1 ZINC000000650794 212169808 /nfs/dbraw/zinc/16/98/08/212169808.db2.gz MNNKVVHFZRCLLJ-UHFFFAOYSA-N 0 0 395.506 5.659 50 0 GKAARN Cc1ccc(-c2cc(C(=O)NC3CC3)c3cc(Br)ccc3n2)cc1C ZINC000000647989 212169848 /nfs/dbraw/zinc/16/98/48/212169848.db2.gz HVFJVBSMWZLEOU-UHFFFAOYSA-N 0 0 395.300 5.173 50 0 GKAARN Fc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000000651632 212169985 /nfs/dbraw/zinc/16/99/85/212169985.db2.gz MBMWQMAKXJEJRX-UHFFFAOYSA-N 0 0 387.277 5.555 50 0 GKAARN O=C(Cn1c2ccccc2nc1-c1ccccc1)c1ccc(Br)cc1 ZINC000000643817 212168628 /nfs/dbraw/zinc/16/86/28/212168628.db2.gz SFWDVGZRWFCUBT-UHFFFAOYSA-N 0 0 391.268 5.349 50 0 GKAARN CCNC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000643873 212168293 /nfs/dbraw/zinc/16/82/93/212168293.db2.gz AATRRLJPYZLXGO-INIZCTEOSA-N 0 0 398.572 5.210 50 0 GKAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(F)c(Oc2ccccc2)c1 ZINC000000646036 212168063 /nfs/dbraw/zinc/16/80/63/212168063.db2.gz IVTVJQPKTATRDP-UNOMPAQXSA-N 0 0 377.346 5.102 50 0 GKAARN CC(C)(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000000643202 212168126 /nfs/dbraw/zinc/16/81/26/212168126.db2.gz PZTDTCOHGYGCOJ-UHFFFAOYSA-N 0 0 385.920 5.295 50 0 GKAARN O=C(CCc1ccccc1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000633184 212167478 /nfs/dbraw/zinc/16/74/78/212167478.db2.gz HZTXNXCOYSHHMA-QFIPXVFZSA-N 0 0 394.312 5.288 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c1ccc1cc(C)ccc12 ZINC000000637495 212167506 /nfs/dbraw/zinc/16/75/06/212167506.db2.gz NZKIESWZCKKZJQ-UHFFFAOYSA-N 0 0 391.854 5.462 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)cc1 ZINC000000633420 212167520 /nfs/dbraw/zinc/16/75/20/212167520.db2.gz 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/nfs/dbraw/zinc/14/98/88/212149888.db2.gz WUAXQGGXNPJISM-UHFFFAOYSA-N 0 0 392.480 5.071 50 0 GKAARN Cc1ccc(Nc2ccc3c(c2)oc(C)c(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000011865074 212148138 /nfs/dbraw/zinc/14/81/38/212148138.db2.gz OBEAUBOCIOSWBO-UHFFFAOYSA-N 0 0 375.855 6.474 50 0 GKAARN CC(C)C(=O)Nc1c2ccccc2oc1-c1cc(=O)oc2ccc(C(C)C)cc21 ZINC000006624112 212147688 /nfs/dbraw/zinc/14/76/88/212147688.db2.gz USGCTVWGDZEQMZ-UHFFFAOYSA-N 0 0 389.451 5.924 50 0 biogenic GKAARN CCOc1ccccc1Oc1coc2cc(OCc3ccccc3)ccc2c1=O ZINC000001448103 212144437 /nfs/dbraw/zinc/14/44/37/212144437.db2.gz SSCRDNHMEQIKNY-UHFFFAOYSA-N 0 0 388.419 5.563 50 0 biogenic GKAARN Cc1ccc(COc2ccc3c(c2)oc(C)c(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000002211368 212144190 /nfs/dbraw/zinc/14/41/90/212144190.db2.gz FBLJYMSNDKDHDQ-UHFFFAOYSA-N 0 0 390.866 6.309 50 0 GKAARN CCCc1cc(-c2onc(C)c2-c2ccc3c(c2)OCCCO3)c(O)cc1OC ZINC000000630363 212143024 /nfs/dbraw/zinc/14/30/24/212143024.db2.gz VIJXJVZVCSEAMS-UHFFFAOYSA-N 0 0 395.455 5.145 50 0 biogenic GKAARN O=C(Nc1ccccc1Cl)[C@@H]1[C@@H]2Cc3ccccc3[C@H]2ON1c1ccccc1 ZINC000245328133 212134137 /nfs/dbraw/zinc/13/41/37/212134137.db2.gz RYPWPELNYBBKEN-YUXAGFNASA-N 0 0 390.870 5.013 50 0 GKAARN COc1cccc(-c2cc3c(SCc4ccc(F)cc4Cl)nccn3n2)c1 ZINC000057510842 212133414 /nfs/dbraw/zinc/13/34/14/212133414.db2.gz MUVATRRXYDXNRX-UHFFFAOYSA-N 0 0 399.878 5.490 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000227486190 212115853 /nfs/dbraw/zinc/11/58/53/212115853.db2.gz HSQWVGYJWDAVCK-URXFXBBRSA-N 0 0 385.467 5.031 50 0 GKAARN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2CCC[C@H]2CN4C[C@H]2CCC[C@@H]32)cc1 ZINC000018085422 212111463 /nfs/dbraw/zinc/11/14/63/212111463.db2.gz CGPSPHOKEVZXFM-ZIEJVCCYSA-N 0 0 386.539 5.848 50 0 GKAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000334162994 212107872 /nfs/dbraw/zinc/10/78/72/212107872.db2.gz TWVVQOPEYQYOAW-MRXNPFEDSA-N 0 0 390.270 5.171 50 0 GKAARN CC[C@H](C)N1C(=O)CC[C@@H]1c1c2ccccc2n(C)c1-c1cccc(OC)c1 ZINC000334163139 212107270 /nfs/dbraw/zinc/10/72/70/212107270.db2.gz MKQHINWKFGKIPO-HRAATJIYSA-N 0 0 376.500 5.316 50 0 GKAARN Cn1c2ccccc2c([C@@H]2CCC(=O)N2Cc2ccccc2)c1-c1ccccc1 ZINC000334163302 212109948 /nfs/dbraw/zinc/10/99/48/212109948.db2.gz NWVBWXRFHHSTLG-QHCPKHFHSA-N 0 0 380.491 5.709 50 0 GKAARN Cc1ccc(-c2c([C@@H]3CCC(=O)N3Cc3ccccc3)c3ccccc3n2C)cc1 ZINC000334163645 212109311 /nfs/dbraw/zinc/10/93/11/212109311.db2.gz ZPWGUCOMNHJWJQ-DEOSSOPVSA-N 0 0 394.518 6.017 50 0 GKAARN Cc1cc(OC(=O)Nc2cccc(Cl)c2Cl)cc(C)c1Br ZINC000002167878 212101766 /nfs/dbraw/zinc/10/17/66/212101766.db2.gz JDIAUJSHSFWONF-UHFFFAOYSA-N 0 0 389.076 5.984 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)Nc1c(Cl)cc(Cl)cc1Cl ZINC000002143111 212100895 /nfs/dbraw/zinc/10/08/95/212100895.db2.gz XRWOPVDDRLUGHA-UHFFFAOYSA-N 0 0 384.477 6.598 50 0 GKAARN Cc1nc2cc(C(=O)N(Cc3cccc(C)c3)C3CC3)ccc2n1-c1ccccc1 ZINC000328593212 212082670 /nfs/dbraw/zinc/08/26/70/212082670.db2.gz GWQIUUQWMMVNKJ-UHFFFAOYSA-N 0 0 395.506 5.447 50 0 GKAARN O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004542308 212079863 /nfs/dbraw/zinc/07/98/63/212079863.db2.gz VMMDGNTYQSWZIA-UHFFFAOYSA-N 0 0 382.691 6.022 50 0 GKAARN COc1ccc(-c2cs/c(=N\Cc3cnccc3C)n2-c2ccccc2)cc1 ZINC000102317771 212081914 /nfs/dbraw/zinc/08/19/14/212081914.db2.gz PUAKVZOGOCZPJZ-BZZOAKBMSA-N 0 0 387.508 5.019 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)Nc2ccc(C)cc2)C1(C)C ZINC000005274542 212065835 /nfs/dbraw/zinc/06/58/35/212065835.db2.gz GOOCBQVMSVBIRG-DENIHFKCSA-N 0 0 375.516 5.736 50 0 GKAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)Nc3ccc(Cl)cc3)c2n1 ZINC000003765452 212063418 /nfs/dbraw/zinc/06/34/18/212063418.db2.gz ZKOXIGIXXKNLPO-UHFFFAOYSA-N 0 0 392.890 5.281 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccc(Cl)cc2)C1(C)C ZINC000003765626 212063561 /nfs/dbraw/zinc/06/35/61/212063561.db2.gz HMTLTEAOUNAOLH-NQIIRXRSSA-N 0 0 380.919 5.689 50 0 GKAARN CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000003037447 212062860 /nfs/dbraw/zinc/06/28/60/212062860.db2.gz DZDUJFSXMWWKDA-DHDCSXOGSA-N 0 0 387.332 5.109 50 0 GKAARN Fc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccco3)n2)cc1 ZINC000001406751 212061368 /nfs/dbraw/zinc/06/13/68/212061368.db2.gz MUYNBKCUZDQMJO-UHFFFAOYSA-N 0 0 379.338 5.414 50 0 GKAARN CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(Cl)c(Cl)c3)c(O)cc21 ZINC000001405247 212061384 /nfs/dbraw/zinc/06/13/84/212061384.db2.gz TVGGNRXUBXHOCP-UHFFFAOYSA-N 0 0 378.255 5.343 50 0 GKAARN Brc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000001601548 212060204 /nfs/dbraw/zinc/06/02/04/212060204.db2.gz JQAGNDRJKSDTEU-UHFFFAOYSA-N 0 0 385.304 7.450 50 0 GKAARN N=c1sc2ccc3ccccc3c2n1CC(=O)Nc1cccc2ccccc21 ZINC000334157762 212043027 /nfs/dbraw/zinc/04/30/27/212043027.db2.gz YHMYGLXKGMNGIR-UHFFFAOYSA-N 0 0 383.476 5.127 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348420 212029749 /nfs/dbraw/zinc/02/97/49/212029749.db2.gz FLHHWKQCKYOIHT-DPQNAFKWSA-N 0 0 384.648 7.453 50 0 GKAARN 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O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1 ZINC000002284847 203935507 /nfs/dbraw/zinc/93/55/07/203935507.db2.gz OYTXUBPDJWOIFL-ZHZULCJRSA-N 0 0 389.838 5.264 50 0 GKAARN CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1ccccc1-3 ZINC000002297585 203936749 /nfs/dbraw/zinc/93/67/49/203936749.db2.gz PTAIUYOMQZZFRJ-UHFFFAOYSA-N 0 0 396.581 5.841 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2Br)cc1 ZINC000002315929 203937197 /nfs/dbraw/zinc/93/71/97/203937197.db2.gz RYHWFEJMVPJZQE-UHFFFAOYSA-N 0 0 391.268 5.124 50 0 GKAARN CC(C)(C)c1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccccc3)c2n1 ZINC000002355193 203939496 /nfs/dbraw/zinc/93/94/96/203939496.db2.gz ZMHPMKCBYSHNLL-UHFFFAOYSA-N 0 0 376.891 6.091 50 0 GKAARN CCCn1nc(NC(=O)c2ccccc2Cl)c2cc3ccc(C)cc3nc21 ZINC000002401664 203941723 /nfs/dbraw/zinc/94/17/23/203941723.db2.gz KXHYAZMREOKUOT-UHFFFAOYSA-N 0 0 378.863 5.209 50 0 GKAARN Brc1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000002394100 203941755 /nfs/dbraw/zinc/94/17/55/203941755.db2.gz FOTQAEVXXYOACG-UHFFFAOYSA-N 0 0 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CSc1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 ZINC000002813845 203965220 /nfs/dbraw/zinc/96/52/20/203965220.db2.gz WRTQSHCMFJKYPS-XSFVSMFZSA-N 0 0 379.912 6.241 50 0 GKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1-c1ccccc1 ZINC000002845369 203967279 /nfs/dbraw/zinc/96/72/79/203967279.db2.gz RLNQGNNASBKCRJ-UHFFFAOYSA-N 0 0 379.459 6.185 50 0 GKAARN COc1ccc(Cl)cc1NC(=S)Nc1ccc(C)cc1Br ZINC000002855090 203968811 /nfs/dbraw/zinc/96/88/11/203968811.db2.gz MAIPJEZPRIEQQJ-UHFFFAOYSA-N 0 0 385.714 5.228 50 0 GKAARN CC(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000002861861 203969910 /nfs/dbraw/zinc/96/99/10/203969910.db2.gz XNWGXYIAAMUJHS-UHFFFAOYSA-N 0 0 378.284 5.819 50 0 GKAARN O=C(CSCc1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1 ZINC000002873844 203970945 /nfs/dbraw/zinc/97/09/45/203970945.db2.gz LLRBYTRESIRWCR-UHFFFAOYSA-N 0 0 388.689 5.114 50 0 GKAARN CCOc1cc(-c2nc3ccccc3s2)cc(Br)c1OC(C)=O ZINC000002879309 203970957 /nfs/dbraw/zinc/97/09/57/203970957.db2.gz IUUACFLRBNYSSZ-UHFFFAOYSA-N 0 0 392.274 5.050 50 0 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Cc1cc(C)c(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(Cl)c1 ZINC000002661033 203955733 /nfs/dbraw/zinc/95/57/33/203955733.db2.gz BALVHHWEVJXOIU-UHFFFAOYSA-N 0 0 393.870 5.205 50 0 GKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)c1 ZINC000002668908 203955986 /nfs/dbraw/zinc/95/59/86/203955986.db2.gz AJPWBWIREJBKOH-QFIPXVFZSA-N 0 0 396.578 7.052 50 0 GKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004310007 204038210 /nfs/dbraw/zinc/03/82/10/204038210.db2.gz VUSRMDMMSZSLNN-UPVQGACJSA-N 0 0 388.442 5.467 50 0 GKAARN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2CCC[C@@H]2CN4C[C@H]2CCC[C@@H]32)cc1 ZINC000004320317 204038227 /nfs/dbraw/zinc/03/82/27/204038227.db2.gz CGPSPHOKEVZXFM-CZAYHTPWSA-N 0 0 386.539 5.848 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCCC2)cc1 ZINC000004309595 204038436 /nfs/dbraw/zinc/03/84/36/204038436.db2.gz QGGYNTCAGNGCGZ-LJQANCHMSA-N 0 0 397.316 5.571 50 0 GKAARN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2CCC[C@@H]2CN4C[C@@H]2CCC[C@H]32)cc1 ZINC000004320320 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COc1cccc([C@H]2CC(c3cccs3)=NN2c2ccc(F)cc2)c1OC ZINC000004031137 204024310 /nfs/dbraw/zinc/02/43/10/204024310.db2.gz NRPDWDJCSSPFGU-GOSISDBHSA-N 0 0 382.460 5.260 50 0 GKAARN CCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000004033592 204024455 /nfs/dbraw/zinc/02/44/55/204024455.db2.gz QAAGSGONWNOYKP-HNNXBMFYSA-N 0 0 397.906 5.019 50 0 GKAARN CCOC(=O)c1ccc(NCc2ccccc2Oc2ccc(F)c(F)c2)cc1 ZINC000004051473 204024691 /nfs/dbraw/zinc/02/46/91/204024691.db2.gz TULYSOSAWCLLGG-UHFFFAOYSA-N 0 0 383.394 5.546 50 0 GKAARN O=C(Nc1cc(Cl)ccc1N1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000004054138 204024891 /nfs/dbraw/zinc/02/48/91/204024891.db2.gz DSOLHFDHNNAYAH-UHFFFAOYSA-N 0 0 397.733 6.280 50 0 GKAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2cccs2)n1 ZINC000004060667 204025029 /nfs/dbraw/zinc/02/50/29/204025029.db2.gz OOMFOLAYPKKYOU-OAHLLOKOSA-N 0 0 392.455 5.579 50 0 GKAARN FC(F)(F)Oc1ccc(-c2noc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000004390757 204042940 /nfs/dbraw/zinc/04/29/40/204042940.db2.gz 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Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCCCc1ccccc1 ZINC000033282147 204954802 /nfs/dbraw/zinc/95/48/02/204954802.db2.gz GUFOXAZPLZMJIO-UHFFFAOYSA-N 0 0 375.493 5.832 50 0 GKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2ccc(F)c(C)c2)c1 ZINC000033289072 204955949 /nfs/dbraw/zinc/95/59/49/204955949.db2.gz SBCXOLYXWJYURT-UHFFFAOYSA-N 0 0 399.516 5.115 50 0 GKAARN CCOc1ccc(NC(=O)c2c3cc(C)ccc3nnc2-c2ccccc2)cc1 ZINC000032953345 204932738 /nfs/dbraw/zinc/93/27/38/204932738.db2.gz MLBDEWICISTLJZ-UHFFFAOYSA-N 0 0 383.451 5.256 50 0 GKAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1c(F)cccc1Cl ZINC000032981922 204935495 /nfs/dbraw/zinc/93/54/95/204935495.db2.gz AXIFGVDTBQXAKX-UHFFFAOYSA-N 0 0 388.807 5.708 50 0 GKAARN CC(C)(C)[C@H]1CCc2c(c(-c3cccnc3)nc3c(-c4ccccc4)cnn32)C1 ZINC000035324292 204985507 /nfs/dbraw/zinc/98/55/07/204985507.db2.gz FTIGFUBECZWVPR-IBGZPJMESA-N 0 0 382.511 5.609 50 0 GKAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NCC(C)C)cs3)c(F)c2)c1 ZINC000034713267 204974002 /nfs/dbraw/zinc/97/40/02/204974002.db2.gz 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205000885 /nfs/dbraw/zinc/00/08/85/205000885.db2.gz KJOZXIDWPFKNAU-UHFFFAOYSA-N 0 0 388.511 5.677 50 0 GKAARN COc1cccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)no2)c1 ZINC000036005552 205001806 /nfs/dbraw/zinc/00/18/06/205001806.db2.gz MNTYCXWKTGOVDU-UHFFFAOYSA-N 0 0 398.462 5.193 50 0 GKAARN CCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(C)cc1 ZINC000036032017 205002330 /nfs/dbraw/zinc/00/23/30/205002330.db2.gz YMUCTNVPQZKMOZ-UHFFFAOYSA-N 0 0 380.513 5.083 50 0 GKAARN CCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccc(Cl)cc1 ZINC000036012373 205002530 /nfs/dbraw/zinc/00/25/30/205002530.db2.gz FZFQADCIKCFJAL-UHFFFAOYSA-N 0 0 382.891 5.664 50 0 GKAARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000036148856 205007443 /nfs/dbraw/zinc/00/74/43/205007443.db2.gz RYRJLSBOSFBYGY-MRXNPFEDSA-N 0 0 387.451 5.230 50 0 GKAARN CC(C)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)C1CC1 ZINC000036124524 205007833 /nfs/dbraw/zinc/00/78/33/205007833.db2.gz UZIHIBIIYNLELV-UHFFFAOYSA-N 0 0 399.343 5.176 50 0 GKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)NC(C)C ZINC000036115196 205008133 /nfs/dbraw/zinc/00/81/33/205008133.db2.gz GGZKRICMMXEYRC-MRXNPFEDSA-N 0 0 389.565 5.057 50 0 GKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000036107972 205008251 /nfs/dbraw/zinc/00/82/51/205008251.db2.gz BIBPUKAYBHHSKI-UHFFFAOYSA-N 0 0 394.540 5.889 50 0 GKAARN CC(=O)[C@@H](C(=O)c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000036129781 205008253 /nfs/dbraw/zinc/00/82/53/205008253.db2.gz WYGFRXFLYCUKSU-FGZHOGPDSA-N 0 0 376.839 5.666 50 0 GKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000036246359 205008821 /nfs/dbraw/zinc/00/88/21/205008821.db2.gz JKFWYWMWHLTCSI-UHFFFAOYSA-N 0 0 393.842 5.014 50 0 GKAARN O=S(=O)(c1cc(Cl)ccc1F)N(Cc1ccccc1)c1ccccc1F ZINC000036248098 205009145 /nfs/dbraw/zinc/00/91/45/205009145.db2.gz QUGANQVDJSEJPK-UHFFFAOYSA-N 0 0 393.842 5.014 50 0 GKAARN COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246686 205009326 /nfs/dbraw/zinc/00/93/26/205009326.db2.gz YAZPGARQUGZGDK-IBGZPJMESA-N 0 0 395.524 5.269 50 0 GKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315245 205010481 /nfs/dbraw/zinc/01/04/81/205010481.db2.gz JUKYHUVQNYXFLX-SFHVURJKSA-N 0 0 397.824 5.180 50 0 GKAARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(Cl)c2)cc1OC ZINC000036347670 205012017 /nfs/dbraw/zinc/01/20/17/205012017.db2.gz CSEQMMZCAUKIKB-HSZRJFAPSA-N 0 0 396.918 5.154 50 0 GKAARN Cc1c(C(=O)Nc2cccc(C)c2)sc2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000036353893 205012163 /nfs/dbraw/zinc/01/21/63/205012163.db2.gz GNYMVLYMWNOHOS-OAHLLOKOSA-N 0 0 382.510 5.802 50 0 GKAARN Fc1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347478 205012363 /nfs/dbraw/zinc/01/23/63/205012363.db2.gz OUGHLQIBEFFPSO-NRFANRHFSA-N 0 0 389.301 5.929 50 0 GKAARN Fc1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347479 205012805 /nfs/dbraw/zinc/01/28/05/205012805.db2.gz OUGHLQIBEFFPSO-OAQYLSRUSA-N 0 0 389.301 5.929 50 0 GKAARN CCc1cc(Oc2ccccc2Cl)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350179 205013221 /nfs/dbraw/zinc/01/32/21/205013221.db2.gz SWEXRMQCMWVWLB-UHFFFAOYSA-N 0 0 392.858 6.055 50 0 GKAARN CCc1cc(Oc2cccc(Cl)c2)nc(SCc2ccccc2Cl)n1 ZINC000036350131 205013410 /nfs/dbraw/zinc/01/34/10/205013410.db2.gz OBQMANMCVPYRIJ-UHFFFAOYSA-N 0 0 391.323 6.430 50 0 GKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000035555187 204994341 /nfs/dbraw/zinc/99/43/41/204994341.db2.gz LIKLUOPSDWUTRQ-UHFFFAOYSA-N 0 0 391.855 5.419 50 0 GKAARN COc1ccc(Oc2cc(C(C)C)nc(SCc3ccc(C)cc3)n2)cc1 ZINC000036349598 205013624 /nfs/dbraw/zinc/01/36/24/205013624.db2.gz DOMSKVPHRADQON-UHFFFAOYSA-N 0 0 380.513 6.002 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1cc2occc2n1Cc1ccccc1 ZINC000036366703 205015238 /nfs/dbraw/zinc/01/52/38/205015238.db2.gz KVUIKNDILJHGDE-UHFFFAOYSA-N 0 0 380.831 5.197 50 0 GKAARN O=C(Nc1ccccc1)/C(Cl)=C(Cl)\C(Cl)=C(/Cl)Br ZINC000004827871 209141286 /nfs/dbraw/zinc/14/12/86/209141286.db2.gz OZKDIWHLPXMWTN-FKJILZIQSA-N 0 0 389.891 5.356 50 0 GKAARN Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1C ZINC000036446894 205017867 /nfs/dbraw/zinc/01/78/67/205017867.db2.gz CJCYKFYXCQOMNW-OAQYLSRUSA-N 0 0 382.554 5.013 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(C)c3)c12 ZINC000036613579 205018259 /nfs/dbraw/zinc/01/82/59/205018259.db2.gz IJHPSOVBLPPMNB-UHFFFAOYSA-N 0 0 396.494 5.226 50 0 GKAARN Cc1ccc(OCCC(=O)Nc2c(-c3ccccc3)nc3sccn32)c(C)c1 ZINC000036820768 205021544 /nfs/dbraw/zinc/02/15/44/205021544.db2.gz XBZZABYFOFAFEQ-UHFFFAOYSA-N 0 0 391.496 5.087 50 0 GKAARN O=C1c2ccccc2-c2ccc(Br)c3ccc(-c4ccccc4)c1c32 ZINC000004829260 209140045 /nfs/dbraw/zinc/14/00/45/209140045.db2.gz NYAOSMDSCSUPEC-UHFFFAOYSA-N 0 0 385.260 6.481 50 0 GKAARN Cc1cccc(CSc2nc(Oc3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000037509524 205026907 /nfs/dbraw/zinc/02/69/07/205026907.db2.gz HGCUHRGOBGCLGB-UHFFFAOYSA-N 0 0 376.403 5.888 50 0 GKAARN Cc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2c(F)cccc2F)n1 ZINC000037510877 205027048 /nfs/dbraw/zinc/02/70/48/205027048.db2.gz BSFUBWISGDMNLC-UHFFFAOYSA-N 0 0 392.858 6.110 50 0 GKAARN Cc1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000037510144 205027119 /nfs/dbraw/zinc/02/71/19/205027119.db2.gz ZPJLLQGGXKKFKV-UHFFFAOYSA-N 0 0 398.959 6.821 50 0 GKAARN Cc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(F)c3)n2)cc1 ZINC000037510067 205027167 /nfs/dbraw/zinc/02/71/67/205027167.db2.gz AXERKTVCTDJBLI-UHFFFAOYSA-N 0 0 394.393 6.028 50 0 GKAARN Cc1cc(Oc2cccc(Cl)c2)nc(SCc2ccc(F)cc2F)n1 ZINC000037510881 205027366 /nfs/dbraw/zinc/02/73/66/205027366.db2.gz VFEYOZHPPVEAHE-UHFFFAOYSA-N 0 0 378.831 5.801 50 0 GKAARN Fc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(F)c3)n2)cc1 ZINC000037509549 205027377 /nfs/dbraw/zinc/02/73/77/205027377.db2.gz QYBUEACPXDTADG-UHFFFAOYSA-N 0 0 398.356 5.858 50 0 GKAARN Cc1cc(Oc2ccccc2Cl)nc(SCc2c(F)cccc2F)n1 ZINC000037511175 205027761 /nfs/dbraw/zinc/02/77/61/205027761.db2.gz TUSIZVRYKNEFRU-UHFFFAOYSA-N 0 0 378.831 5.801 50 0 GKAARN Cc1ccccc1-c1nc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)no1 ZINC000037553323 205028160 /nfs/dbraw/zinc/02/81/60/205028160.db2.gz VCQLKGVMIKQAQT-UHFFFAOYSA-N 0 0 378.378 5.569 50 0 GKAARN Cn1ccc2cc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc54)nc3)ccc21 ZINC000072326266 205031504 /nfs/dbraw/zinc/03/15/04/205031504.db2.gz GSWALSRZPGRAAF-UHFFFAOYSA-N 0 0 382.423 5.099 50 0 biogenic GKAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(c2ccsc2)CC1 ZINC000077099794 205032375 /nfs/dbraw/zinc/03/23/75/205032375.db2.gz JWIFKJYEVPNURS-UHFFFAOYSA-N 0 0 376.525 5.427 50 0 GKAARN COc1ccc(NC(=S)N(Cc2ccccn2)Cc2ccccc2Cl)cc1 ZINC000037868510 205032455 /nfs/dbraw/zinc/03/24/55/205032455.db2.gz PTQSPCHNQRFFRD-UHFFFAOYSA-N 0 0 397.931 5.143 50 0 GKAARN COc1cccc(-c2cc3c(SCc4ccc(Cl)cc4)nccn3n2)c1 ZINC000038486615 205036540 /nfs/dbraw/zinc/03/65/40/205036540.db2.gz RFLIWSSHTKRNCK-UHFFFAOYSA-N 0 0 381.888 5.351 50 0 GKAARN COc1ccc(-c2csc(C(=O)Nc3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000038654686 205037061 /nfs/dbraw/zinc/03/70/61/205037061.db2.gz DUVKXRDRIHOSKV-UHFFFAOYSA-N 0 0 392.455 5.606 50 0 GKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cccc(Cl)c1 ZINC000040032413 205046564 /nfs/dbraw/zinc/04/65/64/205046564.db2.gz LXAPUGOEDHUGLD-GFCCVEGCSA-N 0 0 390.817 5.083 50 0 GKAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000040110458 205052517 /nfs/dbraw/zinc/05/25/17/205052517.db2.gz GXWONEUKCBXRCO-SFHVURJKSA-N 0 0 386.517 5.001 50 0 GKAARN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1)c1cccs1 ZINC000040110532 205053013 /nfs/dbraw/zinc/05/30/13/205053013.db2.gz AVSSQDDDBPEIOG-KRWDZBQOSA-N 0 0 382.510 5.039 50 0 GKAARN C[C@H](NC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000040151603 205058306 /nfs/dbraw/zinc/05/83/06/205058306.db2.gz GHKZERITFKDMRO-BTYIYWSLSA-N 0 0 380.488 5.306 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc(C(C)(C)C)cc12 ZINC000004542462 209137523 /nfs/dbraw/zinc/13/75/23/209137523.db2.gz PLXUEZMQUYKTBJ-UHFFFAOYSA-N 0 0 399.490 5.798 50 0 GKAARN CC(C)CCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000040385981 205062773 /nfs/dbraw/zinc/06/27/73/205062773.db2.gz RSWXTVBXOGVIRT-QFIPXVFZSA-N 0 0 390.571 6.150 50 0 GKAARN O=c1cc(-c2cccc(Cl)c2)nc2n(Cc3ccccc3)c3ccccc3n21 ZINC000040484641 205066835 /nfs/dbraw/zinc/06/68/35/205066835.db2.gz PWQYBGFFMBQMFX-UHFFFAOYSA-N 0 0 385.854 5.018 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1Cl ZINC000040478302 205067800 /nfs/dbraw/zinc/06/78/00/205067800.db2.gz AAWHLILORNTGFJ-UHFFFAOYSA-N 0 0 390.668 5.053 50 0 GKAARN CCc1ccc(NC(=O)c2sc(COc3cc(C)ccc3C)nc2C)cc1 ZINC000043220817 205081596 /nfs/dbraw/zinc/08/15/96/205081596.db2.gz WQTMVIICACAAOA-UHFFFAOYSA-N 0 0 380.513 5.462 50 0 GKAARN O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000043329029 205083704 /nfs/dbraw/zinc/08/37/04/205083704.db2.gz BXVWDXYSIKAJLI-QFIPXVFZSA-N 0 0 382.467 5.599 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3cccc(Cl)c3)c2c1 ZINC000044168040 205084978 /nfs/dbraw/zinc/08/49/78/205084978.db2.gz OZKREEHZVRJVIX-UHFFFAOYSA-N 0 0 379.891 5.566 50 0 GKAARN FC(F)(F)c1c2c(nn1-c1nc(-c3ccccn3)cs1)-c1ccccc1CC2 ZINC000008777896 209134217 /nfs/dbraw/zinc/13/42/17/209134217.db2.gz XTNRIYMCJQYAOT-UHFFFAOYSA-N 0 0 398.413 5.175 50 0 GKAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)ccc1O ZINC000044917327 205090952 /nfs/dbraw/zinc/09/09/52/205090952.db2.gz BNIYXIAJHCEQAA-ZDUSSCGKSA-N 0 0 386.860 5.301 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008766700 209133468 /nfs/dbraw/zinc/13/34/68/209133468.db2.gz QBFPOZZCTWTWAE-WIYYLYMNSA-N 0 0 395.934 6.081 50 0 GKAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCCO2 ZINC000045296046 205094532 /nfs/dbraw/zinc/09/45/32/205094532.db2.gz FWLGEOKJBXKVNO-UHFFFAOYSA-N 0 0 398.311 5.027 50 0 GKAARN C=Cc1ccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000045925318 205099280 /nfs/dbraw/zinc/09/92/80/205099280.db2.gz QCQYEDXTKYDIDQ-UHFFFAOYSA-N 0 0 377.900 5.985 50 0 GKAARN CC(C)(C)c1ccc(C2=NC(C)(C)N(C(=O)c3cccc(F)c3)C2=S)cc1 ZINC000045933194 205099369 /nfs/dbraw/zinc/09/93/69/205099369.db2.gz FTSYLJAWUJFJPG-UHFFFAOYSA-N 0 0 382.504 5.132 50 0 GKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCCC3)cc1C ZINC000045933062 205098424 /nfs/dbraw/zinc/09/84/24/205098424.db2.gz XNNJRKMTPQKQHN-UHFFFAOYSA-N 0 0 394.515 5.375 50 0 GKAARN CCOc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1 ZINC000045925336 205098609 /nfs/dbraw/zinc/09/86/09/205098609.db2.gz VIGDFZXRELDZEA-UHFFFAOYSA-N 0 0 379.460 5.226 50 0 GKAARN Cc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2CC[C@H](C)C3)c(C)c1 ZINC000041125383 205078379 /nfs/dbraw/zinc/07/83/79/205078379.db2.gz NIUZFXYCXVPPHV-INIZCTEOSA-N 0 0 387.479 5.016 50 0 GKAARN CCc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000041155483 205078610 /nfs/dbraw/zinc/07/86/10/205078610.db2.gz XQIJXWDRBFLJGW-UHFFFAOYSA-N 0 0 399.450 5.227 50 0 GKAARN Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c2c1 ZINC000048261183 205117339 /nfs/dbraw/zinc/11/73/39/205117339.db2.gz PZJVUGTZWUZPOB-XMMPIXPASA-N 0 0 381.479 5.108 50 0 GKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccc(C)cc2)C2CCCCC2)c1C ZINC000085711350 205129507 /nfs/dbraw/zinc/12/95/07/205129507.db2.gz PVVIDVPYWUGKOH-UHFFFAOYSA-N 0 0 396.531 5.092 50 0 GKAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)c2ccc3ccccc3c2)s1 ZINC000048365426 205120732 /nfs/dbraw/zinc/12/07/32/205120732.db2.gz OKSGULOAFMRASS-UHFFFAOYSA-N 0 0 390.483 5.616 50 0 GKAARN O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000048354517 205121516 /nfs/dbraw/zinc/12/15/16/205121516.db2.gz RGRWNOVEHCKZJB-UHFFFAOYSA-N 0 0 398.340 5.873 50 0 GKAARN Brc1cc(CSc2nnc3sc4ccccc4n23)cs1 ZINC000048596611 205123608 /nfs/dbraw/zinc/12/36/08/205123608.db2.gz MXYHFYXXRPVSHN-UHFFFAOYSA-N 0 0 382.333 5.060 50 0 GKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1 ZINC000049005051 205123740 /nfs/dbraw/zinc/12/37/40/205123740.db2.gz VRBWWBUGLJFLQJ-IBGZPJMESA-N 0 0 388.515 5.395 50 0 GKAARN CCc1ccc(-n2nc(C)c3c2nc(OCc2cc(C)ccc2C)cc3C)cc1 ZINC000045995589 205101313 /nfs/dbraw/zinc/10/13/13/205101313.db2.gz PUVHOPRQZPEEKT-UHFFFAOYSA-N 0 0 385.511 5.796 50 0 GKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OC ZINC000046075883 205104151 /nfs/dbraw/zinc/10/41/51/205104151.db2.gz DTHXBQGWZLQYFE-KRWDZBQOSA-N 0 0 393.508 5.687 50 0 GKAARN O=C1C[C@@H](c2ccc(Br)cc2)c2scc(-c3ccccc3)c2N1 ZINC000046075937 205104357 /nfs/dbraw/zinc/10/43/57/205104357.db2.gz KMWJPLVIRCVIHC-HNNXBMFYSA-N 0 0 384.298 5.652 50 0 GKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3F)csc21 ZINC000046076527 205104531 /nfs/dbraw/zinc/10/45/31/205104531.db2.gz FSDVOQOGMUAPKL-QGZVFWFLSA-N 0 0 395.499 6.207 50 0 GKAARN Clc1ccc(-c2csc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000055227880 205145319 /nfs/dbraw/zinc/14/53/19/205145319.db2.gz CAJMSUXQFZOTNW-QPJJXVBHSA-N 0 0 395.959 5.299 50 0 GKAARN Cc1ccc(CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000057196224 205155473 /nfs/dbraw/zinc/15/54/73/205155473.db2.gz SZAHGKWPJVJZHL-QGZVFWFLSA-N 0 0 392.524 5.071 50 0 GKAARN CCCCCCC1CCC(C(=O)Oc2ccc(C3=CC[C@@H](C)CC3)cc2)CC1 ZINC000050298030 205132392 /nfs/dbraw/zinc/13/23/92/205132392.db2.gz ICXCIHLSJCDWDD-UZGSZPBKSA-N 0 0 382.588 7.572 50 0 GKAARN C[C@H](NC(=O)CSCc1ccccc1Br)c1ccccc1Cl ZINC000058006758 205162932 /nfs/dbraw/zinc/16/29/32/205162932.db2.gz KYMVVGNZXCBYAL-LBPRGKRZSA-N 0 0 398.753 5.213 50 0 GKAARN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000058098606 205164496 /nfs/dbraw/zinc/16/44/96/205164496.db2.gz VEFVGPJOWOVNRX-HSZRJFAPSA-N 0 0 395.955 5.522 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(Cl)c1)CO3 ZINC000058088635 205164942 /nfs/dbraw/zinc/16/49/42/205164942.db2.gz PYVAKPCDQNLFJX-UHFFFAOYSA-N 0 0 397.902 5.450 50 0 biogenic GKAARN COc1ccc(C(C)=O)cc1CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000058160599 205165249 /nfs/dbraw/zinc/16/52/49/205165249.db2.gz REBFZFRPGUZKQQ-IBGZPJMESA-N 0 0 380.513 5.235 50 0 GKAARN O=c1nc(CN2CCC[C@H]2c2cccs2)[nH]c2sc(-c3ccccc3)cc21 ZINC000058160588 205165997 /nfs/dbraw/zinc/16/59/97/205165997.db2.gz IAFWJLWAEINAPL-INIZCTEOSA-N 0 0 393.537 5.050 50 0 GKAARN CC(=O)c1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cc1 ZINC000058202759 205169192 /nfs/dbraw/zinc/16/91/92/205169192.db2.gz WYHDQWPBEZZDRK-INIZCTEOSA-N 0 0 398.528 5.000 50 0 GKAARN Cc1nc(NC(=O)N(Cc2ccc(C)cc2)[C@@H]2CCc3ccccc32)oc1C ZINC000058212303 205169530 /nfs/dbraw/zinc/16/95/30/205169530.db2.gz SQNQTLVMSAVJME-OAQYLSRUSA-N 0 0 375.472 5.321 50 0 GKAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Nc1ccc(SC)cc1 ZINC000058314061 205171811 /nfs/dbraw/zinc/17/18/11/205171811.db2.gz HKICRLLJSMUBIJ-LJQANCHMSA-N 0 0 380.517 5.147 50 0 GKAARN Cc1csc(-c2ccc(C(=O)N(Cc3ccc(F)cc3F)C3CC3)cc2)n1 ZINC000058432685 205174909 /nfs/dbraw/zinc/17/49/09/205174909.db2.gz BPYSSTQNSJEOPM-UHFFFAOYSA-N 0 0 384.451 5.202 50 0 GKAARN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCC[C@@H]1c1ccsc1 ZINC000058415350 205175093 /nfs/dbraw/zinc/17/50/93/205175093.db2.gz DWYFGBHMCSQGFQ-GOSISDBHSA-N 0 0 383.448 5.444 50 0 GKAARN CCCCn1c(SCc2ccc(Cl)nc2)nnc1-c1ccc(OC)cc1 ZINC000058593049 205176058 /nfs/dbraw/zinc/17/60/58/205176058.db2.gz 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/nfs/dbraw/zinc/18/20/36/205182036.db2.gz UDCCIIWCEGEDHL-UHFFFAOYSA-N 0 0 384.464 5.334 50 0 GKAARN CCn1cc(CCCNC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000003765539 209118482 /nfs/dbraw/zinc/11/84/82/209118482.db2.gz XSEMAJIPCCRNDB-UHFFFAOYSA-N 0 0 375.299 5.331 50 0 GKAARN Cc1ccc(Cn2ncc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)cc1 ZINC000064955967 205201799 /nfs/dbraw/zinc/20/17/99/205201799.db2.gz DJSVJHUTFZMWFS-QGZVFWFLSA-N 0 0 387.458 5.023 50 0 GKAARN O=C(NCCc1ccccc1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000064968487 205203773 /nfs/dbraw/zinc/20/37/73/205203773.db2.gz VEPZNSWHIUGHLW-UHFFFAOYSA-N 0 0 390.870 5.045 50 0 GKAARN CC(C)c1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1 ZINC000064989300 205204853 /nfs/dbraw/zinc/20/48/53/205204853.db2.gz FEZNJIWBOOFIBO-UHFFFAOYSA-N 0 0 386.499 5.120 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(-c3cc(NC4CCCCC4)ncn3)cc2)c1 ZINC000064989500 205205182 /nfs/dbraw/zinc/20/51/82/205205182.db2.gz ZPVPWJUZENUOCI-UHFFFAOYSA-N 0 0 386.499 5.449 50 0 GKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc(C)s4)n3)cc2)cc1 ZINC000065005344 205205862 /nfs/dbraw/zinc/20/58/62/205205862.db2.gz OHKUGBZQHWAMFI-UHFFFAOYSA-N 0 0 391.452 5.524 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1 ZINC000065029690 205207402 /nfs/dbraw/zinc/20/74/02/205207402.db2.gz VENKHYJVXWXPAX-UHFFFAOYSA-N 0 0 398.869 5.580 50 0 GKAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1ccc(Cl)cc1F ZINC000065184746 205217016 /nfs/dbraw/zinc/21/70/16/205217016.db2.gz HLPQWBKLLCGXEW-UHFFFAOYSA-N 0 0 379.819 5.379 50 0 GKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000065033937 205208430 /nfs/dbraw/zinc/20/84/30/205208430.db2.gz PXEMDWIVOYBONP-UHFFFAOYSA-N 0 0 378.447 5.568 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)s1 ZINC000065085338 205209699 /nfs/dbraw/zinc/20/96/99/205209699.db2.gz YGSDDRAKRMVCBS-UHFFFAOYSA-N 0 0 399.537 5.012 50 0 GKAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000065135446 205211539 /nfs/dbraw/zinc/21/15/39/205211539.db2.gz OYPKJXGDWPSCRC-JOCHJYFZSA-N 0 0 385.511 5.089 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCCC3=CCCCC3)C2)cc1 ZINC000065136190 205212413 /nfs/dbraw/zinc/21/24/13/205212413.db2.gz UQIMYUPRIKDQPZ-OAQYLSRUSA-N 0 0 397.563 5.026 50 0 GKAARN CCc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000065153736 205214640 /nfs/dbraw/zinc/21/46/40/205214640.db2.gz DMGQAUYTZPQJDN-UHFFFAOYSA-N 0 0 380.451 5.020 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2ccc(C)cc2C)c1 ZINC000065172795 205215692 /nfs/dbraw/zinc/21/56/92/205215692.db2.gz BTCWZMDIOCRIQK-UHFFFAOYSA-N 0 0 384.483 5.377 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)NCc2cc(C)ccc2C)c1 ZINC000065172860 205216345 /nfs/dbraw/zinc/21/63/45/205216345.db2.gz LSQHTGDFPAFVQH-UHFFFAOYSA-N 0 0 398.510 5.055 50 0 GKAARN Cc1cc(C)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)c(C)c1 ZINC000064471997 205189900 /nfs/dbraw/zinc/18/99/00/205189900.db2.gz UHJZMYAKLGJAGA-UHFFFAOYSA-N 0 0 393.918 5.793 50 0 GKAARN CC(C)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1 ZINC000064471772 205190145 /nfs/dbraw/zinc/19/01/45/205190145.db2.gz TXWGVSPMJHYBKR-UHFFFAOYSA-N 0 0 391.540 5.291 50 0 GKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3cccc(Cl)c3C)nc2cc1C ZINC000064439037 205190561 /nfs/dbraw/zinc/19/05/61/205190561.db2.gz RLOVTIHYQYDOHM-UHFFFAOYSA-N 0 0 383.879 5.248 50 0 GKAARN COc1ccc(C(=O)NCC[C@@H]2[C@H](c3c(C)[nH]c4ccccc43)C2(C)C)cc1 ZINC000001404549 209114986 /nfs/dbraw/zinc/11/49/86/209114986.db2.gz NRBPFYQMYUEXMM-DENIHFKCSA-N 0 0 376.500 5.045 50 0 GKAARN CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)c(C)c1 ZINC000064658704 205191516 /nfs/dbraw/zinc/19/15/16/205191516.db2.gz YBUIEOVPDBCBBF-UHFFFAOYSA-N 0 0 392.499 5.574 50 0 GKAARN CCOC(=O)c1cc2ccsc2n1Cc1nc(-c2cc(C)ccc2C)oc1C ZINC000064658998 205191524 /nfs/dbraw/zinc/19/15/24/205191524.db2.gz OBMQGWGOLKACJL-UHFFFAOYSA-N 0 0 394.496 5.508 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1 ZINC000064606047 205191678 /nfs/dbraw/zinc/19/16/78/205191678.db2.gz HESBMIGISAEKMH-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN C[C@@H](CNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21)c1ccccc1 ZINC000064657550 205192064 /nfs/dbraw/zinc/19/20/64/205192064.db2.gz NQOPATLVNVLPOO-INIZCTEOSA-N 0 0 392.499 5.429 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)Nc1c(-c2ccsc2)nc2ccccn21 ZINC000064611234 205192841 /nfs/dbraw/zinc/19/28/41/205192841.db2.gz LKPGEIPNHVRAPX-UHFFFAOYSA-N 0 0 382.876 5.669 50 0 GKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4ccccc4C)c3)nc2)cc1 ZINC000064605949 205192864 /nfs/dbraw/zinc/19/28/64/205192864.db2.gz LWPGRAGGHBQDBP-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)N[C@H](C)c1cccs1 ZINC000064579772 205192934 /nfs/dbraw/zinc/19/29/34/205192934.db2.gz QAOSRHODRXGABU-CQSZACIVSA-N 0 0 386.542 5.200 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000065184799 205216699 /nfs/dbraw/zinc/21/66/99/205216699.db2.gz WHCCNODKIVFKCH-UHFFFAOYSA-N 0 0 391.418 5.775 50 0 GKAARN Cc1cc(S(=O)(=O)Nc2ccc3nc(SC(C)C)sc3c2)ccc1F ZINC000064747834 205194433 /nfs/dbraw/zinc/19/44/33/205194433.db2.gz LVIWJRQVSGGKMZ-UHFFFAOYSA-N 0 0 396.534 5.045 50 0 GKAARN O=C(Nc1ccccc1Cl)c1ccc2cnn(Cc3cccc(F)c3)c2c1 ZINC000064775800 205195085 /nfs/dbraw/zinc/19/50/85/205195085.db2.gz WBPLFWSJAAZRLZ-UHFFFAOYSA-N 0 0 379.822 5.129 50 0 GKAARN CCn1cc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)c2cccnc21 ZINC000065240990 205222438 /nfs/dbraw/zinc/22/24/38/205222438.db2.gz QYHBISYEQZVZSU-UHFFFAOYSA-N 0 0 396.903 5.014 50 0 GKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)cc1C ZINC000067297035 205245283 /nfs/dbraw/zinc/24/52/83/205245283.db2.gz AAELLADQAMJEON-PNHLSOANSA-N 0 0 386.426 5.673 50 0 GKAARN CCOc1ccc(-c2nc3sc4ccccc4n3c2NCCCOC)cc1 ZINC000065319294 205229605 /nfs/dbraw/zinc/22/96/05/205229605.db2.gz NUIBSGOZHIOJGW-UHFFFAOYSA-N 0 0 381.501 5.063 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C ZINC000065322265 205230462 /nfs/dbraw/zinc/23/04/62/205230462.db2.gz KKWMVKPBSKRXMQ-UHFFFAOYSA-N 0 0 390.531 5.164 50 0 GKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c(Cl)c1 ZINC000067295558 205245821 /nfs/dbraw/zinc/24/58/21/205245821.db2.gz YSMSZWSGGGOMEL-LVWGJNHUSA-N 0 0 392.842 5.150 50 0 GKAARN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(-c2ccccc2F)s1 ZINC000065488698 205236100 /nfs/dbraw/zinc/23/61/00/205236100.db2.gz HAZAKORKPGWZHE-UHFFFAOYSA-N 0 0 377.444 5.051 50 0 GKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067296259 205245667 /nfs/dbraw/zinc/24/56/67/205245667.db2.gz KOMVJHRAXYRONO-GYHWCHFESA-N 0 0 387.464 5.034 50 0 GKAARN Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067190066 205241718 /nfs/dbraw/zinc/24/17/18/205241718.db2.gz CYLIJGWDFHYUBR-RWEWTDSWSA-N 0 0 388.854 5.879 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3ccccc3F)c2-n2cccc2)cc1 ZINC000067245139 205242527 /nfs/dbraw/zinc/24/25/27/205242527.db2.gz YOOGKXBSMHVPFP-UHFFFAOYSA-N 0 0 376.456 5.906 50 0 GKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F ZINC000067296977 205245740 /nfs/dbraw/zinc/24/57/40/205245740.db2.gz XRIPZYJZAHSHRI-VYIQYICTSA-N 0 0 390.389 5.504 50 0 GKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(C)ccc2F)nc1 ZINC000067296635 205245779 /nfs/dbraw/zinc/24/57/79/205245779.db2.gz IODDDIINAOFIKI-RWEWTDSWSA-N 0 0 387.414 5.068 50 0 GKAARN Clc1cccc(-c2nnn3c2nc(NC2CCCCCC2)c2ccccc23)c1 ZINC000067261446 205243642 /nfs/dbraw/zinc/24/36/42/205243642.db2.gz UWQJPSSSVIMJEP-UHFFFAOYSA-N 0 0 391.906 5.733 50 0 GKAARN CC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067293205 205244060 /nfs/dbraw/zinc/24/40/60/205244060.db2.gz DDHSKZWBDVVSGT-LCUIJRPUSA-N 0 0 399.450 5.142 50 0 GKAARN Cc1ccccc1CNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc21 ZINC000067261515 205244389 /nfs/dbraw/zinc/24/43/89/205244389.db2.gz AFHPSQDYPRAXOA-UHFFFAOYSA-N 0 0 399.885 5.518 50 0 GKAARN C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc21 ZINC000067288297 205244794 /nfs/dbraw/zinc/24/47/94/205244794.db2.gz IGMRZTDLCUEZFT-QGZVFWFLSA-N 0 0 391.490 5.043 50 0 GKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(C(C)C)cc3)s2)c1 ZINC000065184812 205217589 /nfs/dbraw/zinc/21/75/89/205217589.db2.gz 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ZINC000002721131 211516144 /nfs/dbraw/zinc/51/61/44/211516144.db2.gz HEUOWIWVSWSMDD-FOCLMDBBSA-N 0 0 398.531 5.757 50 0 GKAARN CC(C)(C)c1cc(-c2nc(-c3ccccc3)c3ccccn32)cc(C(C)(C)C)c1 ZINC000002708407 211515994 /nfs/dbraw/zinc/51/59/94/211515994.db2.gz ORPZVGKSEDHRSV-UHFFFAOYSA-N 0 0 382.551 7.263 50 0 GKAARN CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2cccc(Cl)c2Cl)c1 ZINC000003427039 211523620 /nfs/dbraw/zinc/52/36/20/211523620.db2.gz CFQJTHVFEMSKGL-VAWYXSNFSA-N 0 0 391.298 5.127 50 0 GKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccccc2)s1 ZINC000003393697 211523207 /nfs/dbraw/zinc/52/32/07/211523207.db2.gz QXUATZVDGHGQNV-UHFFFAOYSA-N 0 0 385.514 5.175 50 0 GKAARN CCOc1ccc2c(c1)oc(C)c(Oc1ccccc1Br)c2=O ZINC000002424236 206292358 /nfs/dbraw/zinc/29/23/58/206292358.db2.gz IOTBMGKYBJKJIJ-UHFFFAOYSA-N 0 0 375.218 5.055 50 0 GKAARN Cc1c2occ(-c3ccc4c(c3)OCO4)c2cc2c(-c3ccccc3)cc(=O)oc12 ZINC000002101515 206292328 /nfs/dbraw/zinc/29/23/28/206292328.db2.gz RWRSSHJLZXPYCS-UHFFFAOYSA-N 0 0 396.398 5.910 50 0 biogenic GKAARN COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O ZINC000005160337 206292831 /nfs/dbraw/zinc/29/28/31/206292831.db2.gz MGDWHDMEKYLLHM-UHFFFAOYSA-N 0 0 388.423 5.162 50 0 GKAARN Cc1ccc(C)c(COc2ccc(-c3nc(N)ncc3-c3ccccc3)c(O)c2)c1 ZINC000005354932 206292916 /nfs/dbraw/zinc/29/29/16/206292916.db2.gz RBMNKPYDJHJIAP-UHFFFAOYSA-N 0 0 397.478 5.294 50 0 GKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C)cc2)cc1 ZINC000011866441 206294292 /nfs/dbraw/zinc/29/42/92/206294292.db2.gz NQQLVPWWZGTCRZ-UHFFFAOYSA-N 0 0 387.435 5.678 50 0 GKAARN CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccco4)cc3o2)cc1 ZINC000009660297 206295286 /nfs/dbraw/zinc/29/52/86/206295286.db2.gz CPDXQCMGCAOTDB-UHFFFAOYSA-N 0 0 387.435 5.603 50 0 GKAARN Cc1c2ccc(NC(=O)c3cccnc3)cc2oc1C(=O)c1ccc(Cl)cc1 ZINC000009659916 206295546 /nfs/dbraw/zinc/29/55/46/206295546.db2.gz DXTNVFJKAAJOLC-UHFFFAOYSA-N 0 0 390.826 5.273 50 0 GKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)cc1 ZINC000015729357 206296119 /nfs/dbraw/zinc/29/61/19/206296119.db2.gz ASCNPJOLWNFMNG-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3cccc(OC)c3)c2c1 ZINC000015880497 206296542 /nfs/dbraw/zinc/29/65/42/206296542.db2.gz RRHQOJFDVUMCGL-UHFFFAOYSA-N 0 0 387.435 5.759 50 0 GKAARN COc1ccccc1-c1coc2c(ccc3c2CN(c2ccc(C)cc2)CO3)c1=O ZINC000009421904 206294593 /nfs/dbraw/zinc/29/45/93/206294593.db2.gz BUHONLARHPVXDL-UHFFFAOYSA-N 0 0 399.446 5.134 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 ZINC000002624994 211514238 /nfs/dbraw/zinc/51/42/38/211514238.db2.gz UZSLKLUGYHSMPB-IEZBTEQYSA-N 0 0 375.415 5.462 50 0 GKAARN CCc1cccc(CC)c1NC(=O)/C=C\c1ccc(OC(F)F)c(OC)c1 ZINC000096054726 206300092 /nfs/dbraw/zinc/30/00/92/206300092.db2.gz LMAOEIGTPHWGKJ-BENRWUELSA-N 0 0 375.415 5.073 50 0 GKAARN CCCCOc1ccc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cc1 ZINC000096759109 206301739 /nfs/dbraw/zinc/30/17/39/206301739.db2.gz VVYTZNIZXMONAP-LGMDPLHJSA-N 0 0 380.513 5.198 50 0 GKAARN COc1ccc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 ZINC000096759384 206302176 /nfs/dbraw/zinc/30/21/76/206302176.db2.gz ZWAFYIZZRFXEKC-LGMDPLHJSA-N 0 0 386.476 5.078 50 0 GKAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(-c2ccccc2)cc1 ZINC000033577964 206303032 /nfs/dbraw/zinc/30/30/32/206303032.db2.gz KOQWVVOTGXJFIZ-XSFVSMFZSA-N 0 0 384.504 5.686 50 0 GKAARN Cc1cc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)no1 ZINC000009204020 206307588 /nfs/dbraw/zinc/30/75/88/206307588.db2.gz GYEQUMXLGYYEED-UHFFFAOYSA-N 0 0 377.425 5.151 50 0 GKAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc(Oc2ccccc2)c1 ZINC000000629934 206309623 /nfs/dbraw/zinc/30/96/23/206309623.db2.gz DPAQZBPYRAGUKS-UHFFFAOYSA-N 0 0 384.218 5.586 50 0 GKAARN COc1ccccc1NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(C)C ZINC000000637609 206310237 /nfs/dbraw/zinc/31/02/37/206310237.db2.gz IRRSTKIHKRJAEO-XWPUUTJGSA-N 0 0 397.518 5.813 50 0 GKAARN COc1cccc(NC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000000640744 206310393 /nfs/dbraw/zinc/31/03/93/206310393.db2.gz 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206311902 /nfs/dbraw/zinc/31/19/02/206311902.db2.gz XVAYSSIYDVBHHF-UHFFFAOYSA-N 0 0 396.372 5.034 50 0 GKAARN CCn1cc(CN(C)C(=O)c2sc3cccc(Cl)c3c2Cl)c(C)n1 ZINC000000649036 206311942 /nfs/dbraw/zinc/31/19/42/206311942.db2.gz KPQGRVKYQYTWCE-UHFFFAOYSA-N 0 0 382.316 5.005 50 0 GKAARN Cc1cc(C)c(-c2noc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c(C)c1 ZINC000000643682 206312031 /nfs/dbraw/zinc/31/20/31/206312031.db2.gz MZVGTNZMRQUOKT-UHFFFAOYSA-N 0 0 395.458 5.729 50 0 GKAARN CC(C)c1ccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1 ZINC000000647953 206312131 /nfs/dbraw/zinc/31/21/31/206312131.db2.gz SEDMVQGIQLJTEY-UHFFFAOYSA-N 0 0 386.520 6.017 50 0 GKAARN Cc1cc(Oc2ccc(C)c(Cl)c2)nc(SCC(=O)c2ccccc2)n1 ZINC000000649399 206312189 /nfs/dbraw/zinc/31/21/89/206312189.db2.gz UWNYGWXXKGLNQC-UHFFFAOYSA-N 0 0 384.888 5.514 50 0 biogenic,in-vitro GKAARN C[C@@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)OCc1ccccc1 ZINC000000645423 206312249 /nfs/dbraw/zinc/31/22/49/206312249.db2.gz BYLHQTYICVHVFS-UONOGXRCSA-N 0 0 398.553 5.040 50 0 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AKNOFIBDFSVONX-UHFFFAOYSA-N 0 0 392.509 5.118 50 0 GKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)o1 ZINC000000656966 206313338 /nfs/dbraw/zinc/31/33/38/206313338.db2.gz FAGUDOJGIQQGOF-UHFFFAOYSA-N 0 0 376.843 5.387 50 0 GKAARN COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000000655525 206313565 /nfs/dbraw/zinc/31/35/65/206313565.db2.gz SAKSXKWOEVKXMZ-SECBINFHSA-N 0 0 398.311 5.219 50 0 GKAARN O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2ccccc2F)N1c1ccc(F)cc1 ZINC000000651592 206313627 /nfs/dbraw/zinc/31/36/27/206313627.db2.gz UKCDEMACHXILDB-NRFANRHFSA-N 0 0 380.369 5.188 50 0 GKAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)Cc1ccc(Cl)cc1 ZINC000000669125 206313851 /nfs/dbraw/zinc/31/38/51/206313851.db2.gz RXPGJJCMOWYILX-UHFFFAOYSA-N 0 0 391.901 5.098 50 0 GKAARN CC(C)OC(=O)c1c(NC(=O)C(F)(F)F)scc1-c1ccccc1Cl ZINC000000668588 206314793 /nfs/dbraw/zinc/31/47/93/206314793.db2.gz JHVCUDCVFKXIHR-UHFFFAOYSA-N 0 0 391.798 5.135 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Oc1ccc(Br)c2ccccc12 ZINC000000673884 206315160 /nfs/dbraw/zinc/31/51/60/206315160.db2.gz AVOQFFCUSIZCAE-UHFFFAOYSA-N 0 0 391.648 5.240 50 0 GKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 ZINC000000678247 206315164 /nfs/dbraw/zinc/31/51/64/206315164.db2.gz LXVXCTLAUHBROT-UHFFFAOYSA-N 0 0 393.830 5.194 50 0 GKAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000000678822 206315365 /nfs/dbraw/zinc/31/53/65/206315365.db2.gz MRTZQBLXLOOUBI-AWEZNQCLSA-N 0 0 378.497 5.186 50 0 GKAARN CC(=O)N1C[C@@H](c2cnc(-c3ccccc3)c(C)c2)C=C(C)[C@@H]1c1ccccc1 ZINC000000678464 206315690 /nfs/dbraw/zinc/31/56/90/206315690.db2.gz OWKLUUUEZDCPRP-AZGAKELHSA-N 0 0 382.507 5.690 50 0 GKAARN Cc1ccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1C ZINC000000674699 206316025 /nfs/dbraw/zinc/31/60/25/206316025.db2.gz ISNDZCPDHZDJDC-UHFFFAOYSA-N 0 0 390.321 5.515 50 0 GKAARN C[C@H](C(=O)Nc1cccc2ccccc21)c1cccc(C(=O)c2ccccc2)c1 ZINC000000682419 206316507 /nfs/dbraw/zinc/31/65/07/206316507.db2.gz CWWRRHUKXHUVCB-SFHVURJKSA-N 0 0 379.459 5.813 50 0 GKAARN CCc1c(C)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)OC ZINC000000682674 206316792 /nfs/dbraw/zinc/31/67/92/206316792.db2.gz OZLGOKCMWATOFU-UHFFFAOYSA-N 0 0 393.917 5.526 50 0 GKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cccc(C)c1 ZINC000000679873 206316921 /nfs/dbraw/zinc/31/69/21/206316921.db2.gz TVOPMDYXJPTTHY-UHFFFAOYSA-N 0 0 388.298 5.416 50 0 GKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c(C)c1 ZINC000000692676 206318163 /nfs/dbraw/zinc/31/81/63/206318163.db2.gz SRNYHRABBZTZKS-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN CCn1c2ccccc2nc1[C@@H](O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000707701 206318264 /nfs/dbraw/zinc/31/82/64/206318264.db2.gz RQQRFZXFDYFUBN-FQEVSTJZSA-N 0 0 380.532 5.439 50 0 GKAARN O=C(COc1ccc(Cl)cc1Br)Nc1cccc2ccccc21 ZINC000000722649 206318856 /nfs/dbraw/zinc/31/88/56/206318856.db2.gz ZKKBRZKACLSKJQ-UHFFFAOYSA-N 0 0 390.664 5.273 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000000712810 206319029 /nfs/dbraw/zinc/31/90/29/206319029.db2.gz 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CC(C)COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000001206890 206366122 /nfs/dbraw/zinc/36/61/22/206366122.db2.gz CCKHKBGLIMPYRT-UHFFFAOYSA-N 0 0 387.439 5.177 50 0 GKAARN O=C(c1ccco1)N(c1ccccc1)[C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000001199624 206366741 /nfs/dbraw/zinc/36/67/41/206366741.db2.gz VBDGFJOCULXQGB-HSZRJFAPSA-N 0 0 385.438 6.050 50 0 GKAARN O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001200546 206367232 /nfs/dbraw/zinc/36/72/32/206367232.db2.gz VKNHUJFWOVRCRK-UHFFFAOYSA-N 0 0 394.883 5.634 50 0 GKAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1ccccc1 ZINC000001210215 206367354 /nfs/dbraw/zinc/36/73/54/206367354.db2.gz AEONSOKMLJLKDF-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001212568 206367386 /nfs/dbraw/zinc/36/73/86/206367386.db2.gz GGQPQZGUSVZCMS-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc2ccccc2o1 ZINC000001212092 206367428 /nfs/dbraw/zinc/36/74/28/206367428.db2.gz 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O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1cccc(Cl)c1 ZINC000001778440 206391188 /nfs/dbraw/zinc/39/11/88/206391188.db2.gz CCPIKXQYOYZAKO-UHFFFAOYSA-N 0 0 387.291 5.480 50 0 GKAARN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001773592 206391236 /nfs/dbraw/zinc/39/12/36/206391236.db2.gz KYFNSYQWSATMPQ-UHFFFAOYSA-N 0 0 395.886 5.717 50 0 GKAARN CCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000001774137 206391495 /nfs/dbraw/zinc/39/14/95/206391495.db2.gz NZHJIZYAXLOZFG-SDNWHVSQSA-N 0 0 381.516 5.923 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 ZINC000001774297 206391559 /nfs/dbraw/zinc/39/15/59/206391559.db2.gz ZDOFMWVXTQYLTL-UHFFFAOYSA-N 0 0 386.904 5.428 50 0 GKAARN CCCCCC(=O)N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000001787070 206392165 /nfs/dbraw/zinc/39/21/65/206392165.db2.gz KLOHAWSOQRAXGS-KRWDZBQOSA-N 0 0 387.738 5.645 50 0 GKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)CCCC2 ZINC000001891933 206393102 /nfs/dbraw/zinc/39/31/02/206393102.db2.gz ZHNWRJNHPDTASL-UHFFFAOYSA-N 0 0 391.492 5.333 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1 ZINC000001889413 206393357 /nfs/dbraw/zinc/39/33/57/206393357.db2.gz YDMKLNVDRGIRBS-UHFFFAOYSA-N 0 0 378.560 6.567 50 0 GKAARN CSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000001875068 206393564 /nfs/dbraw/zinc/39/35/64/206393564.db2.gz UUEOQTLQBBCXQT-UHFFFAOYSA-N 0 0 380.557 5.190 50 0 biogenic GKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3ccc(C(C)C)cc3)sc1C(C)(C)N2 ZINC000001835975 206393652 /nfs/dbraw/zinc/39/36/52/206393652.db2.gz CPJVQSPXLJOYLG-UHFFFAOYSA-N 0 0 380.582 7.028 50 0 GKAARN O=C(Nc1nnc(Cc2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000001835528 206393717 /nfs/dbraw/zinc/39/37/17/206393717.db2.gz WHYILJGTSVXEJK-UHFFFAOYSA-N 0 0 379.272 5.080 50 0 GKAARN Cc1cc(C)cc(Oc2coc3cc(OCc4ccccc4C)ccc3c2=O)c1 ZINC000001915205 206394052 /nfs/dbraw/zinc/39/40/52/206394052.db2.gz NTNQSIORHSIQAL-UHFFFAOYSA-N 0 0 386.447 6.090 50 0 GKAARN Cc1c(OCc2ccccc2Cl)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001904294 206394170 /nfs/dbraw/zinc/39/41/70/206394170.db2.gz GDFYDIVSLZLJAV-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)cc2oc1=O ZINC000001902746 206394393 /nfs/dbraw/zinc/39/43/93/206394393.db2.gz JYIFCEPJDSBZKG-UHFFFAOYSA-N 0 0 396.458 5.625 50 0 GKAARN O=C(NC(=S)Nc1ccc2ccccc2c1)C(c1ccccc1)c1ccccc1 ZINC000002052191 206395263 /nfs/dbraw/zinc/39/52/63/206395263.db2.gz INFCIQKWJGXYIQ-UHFFFAOYSA-N 0 0 396.515 5.485 50 0 GKAARN Cc1ccc(C(=O)Oc2cccc3c(OC(=O)c4ccc(C)cc4)cccc23)cc1 ZINC000002023143 206395344 /nfs/dbraw/zinc/39/53/44/206395344.db2.gz LYPCQFUFFZTRIP-UHFFFAOYSA-N 0 0 396.442 5.895 50 0 GKAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccc(F)cc2)cc1 ZINC000001978347 206395586 /nfs/dbraw/zinc/39/55/86/206395586.db2.gz FOWYJRAQHUBNQF-UHFFFAOYSA-N 0 0 376.383 5.187 50 0 GKAARN CCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCC)cn3)cc2)cc1 ZINC000002030526 206395594 /nfs/dbraw/zinc/39/55/94/206395594.db2.gz GFFCDFMSSXNGBW-UHFFFAOYSA-N 0 0 375.468 5.709 50 0 GKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1 ZINC000002031037 206395703 /nfs/dbraw/zinc/39/57/03/206395703.db2.gz XVHNERBOOSYOIT-UHFFFAOYSA-N 0 0 384.479 6.353 50 0 GKAARN CC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccc(Cl)cc2)C=C1 ZINC000002050275 206395729 /nfs/dbraw/zinc/39/57/29/206395729.db2.gz MZBLAXFEDVKIGL-UHFFFAOYSA-N 0 0 393.718 5.095 50 0 GKAARN CC(C)(C)c1cc(C(=O)Oc2ccc(C3CCCCC3)cc2)cc(C(C)(C)C)c1 ZINC000002023134 206395785 /nfs/dbraw/zinc/39/57/85/206395785.db2.gz PVIXTEDJCFSPPE-UHFFFAOYSA-N 0 0 392.583 7.549 50 0 GKAARN Cc1ccccc1C(=O)N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002054252 206396613 /nfs/dbraw/zinc/39/66/13/206396613.db2.gz ZEJUSDDJJYMSMS-OAHLLOKOSA-N 0 0 392.113 5.187 50 0 GKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002065949 206396784 /nfs/dbraw/zinc/39/67/84/206396784.db2.gz BJSQDUVVLCGRKR-YADARESESA-N 0 0 398.550 6.576 50 0 GKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000002065846 206396860 /nfs/dbraw/zinc/39/68/60/206396860.db2.gz PJDAXFBDZMBJSC-CYBMUJFWSA-N 0 0 383.841 6.300 50 0 GKAARN CCCCCCOc1ccc(-c2ccc(-c3noc(CCCC)n3)cc2)cc1 ZINC000002054780 206396891 /nfs/dbraw/zinc/39/68/91/206396891.db2.gz GTSDKYGWDJGEDX-UHFFFAOYSA-N 0 0 378.516 6.705 50 0 GKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccccc1)CCC3 ZINC000002062430 206397097 /nfs/dbraw/zinc/39/70/97/206397097.db2.gz ICGYHEXZPXASSS-UHFFFAOYSA-N 0 0 376.496 5.984 50 0 GKAARN CCOC(=O)c1ccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)cc1 ZINC000002060884 206397126 /nfs/dbraw/zinc/39/71/26/206397126.db2.gz FXFHDAQGBPYIQA-UHFFFAOYSA-N 0 0 396.537 5.773 50 0 GKAARN CCCC[C@@H](CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2OCC)c1 ZINC000002069850 206397135 /nfs/dbraw/zinc/39/71/35/206397135.db2.gz BNAPXPSJIOCHHR-QGZVFWFLSA-N 0 0 382.504 5.493 50 0 GKAARN CCCCOc1ccc(-n2sc3c(c2=S)-c2ccccc2NC3(C)C)cc1 ZINC000002069170 206397582 /nfs/dbraw/zinc/39/75/82/206397582.db2.gz BPTFANKKCHDRSD-UHFFFAOYSA-N 0 0 396.581 6.775 50 0 GKAARN CSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002060673 206397665 /nfs/dbraw/zinc/39/76/65/206397665.db2.gz VUQPOCBIHSYKCQ-UHFFFAOYSA-N 0 0 394.584 5.580 50 0 biogenic GKAARN CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1 ZINC000002073557 206397698 /nfs/dbraw/zinc/39/76/98/206397698.db2.gz FZKSRBFNJLOZHI-UHFFFAOYSA-N 0 0 386.923 5.077 50 0 GKAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2occ(-c3ccc(Cl)cc3)c21 ZINC000002101461 206398091 /nfs/dbraw/zinc/39/80/91/206398091.db2.gz ZAUSEHWNOJJGFX-UHFFFAOYSA-N 0 0 386.834 6.835 50 0 biogenic GKAARN Cc1ccc2c(c1)NC(C)(C)c1sn(-c3ccc(Cl)c(F)c3)c(=S)c1-2 ZINC000002092206 206398275 /nfs/dbraw/zinc/39/82/75/206398275.db2.gz WACHXOWLDYHMIH-UHFFFAOYSA-N 0 0 390.936 6.697 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002092772 206398470 /nfs/dbraw/zinc/39/84/70/206398470.db2.gz YSHHGCSMDYSSJT-ZDUSSCGKSA-N 0 0 389.517 5.230 50 0 GKAARN CCCc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 ZINC000002091172 206398550 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CCc1ccc(OCc2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)cc2)cc1 ZINC000002107880 206399473 /nfs/dbraw/zinc/39/94/73/206399473.db2.gz OJKYQTFIDKPOPO-LJQANCHMSA-N 0 0 387.523 6.594 50 0 GKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(F)cc1F)CO3 ZINC000002118781 206399610 /nfs/dbraw/zinc/39/96/10/206399610.db2.gz HUNJNDADZBTMGJ-UHFFFAOYSA-N 0 0 391.373 5.095 50 0 biogenic GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccccc1C ZINC000002181051 206399905 /nfs/dbraw/zinc/39/99/05/206399905.db2.gz WCZCYTZTZKQCJJ-UHFFFAOYSA-N 0 0 396.537 5.709 50 0 GKAARN CC(C)(C)c1cc(C(=O)Nc2ccccc2Br)cc(C(C)(C)C)c1 ZINC000002183353 206399944 /nfs/dbraw/zinc/39/99/44/206399944.db2.gz MDAFRWSPBAPDMO-UHFFFAOYSA-N 0 0 388.349 6.296 50 0 GKAARN CCc1cc2c(cc1OCc1ccccc1OC)oc(=O)cc2-c1ccccc1 ZINC000002204815 206401205 /nfs/dbraw/zinc/40/12/05/206401205.db2.gz WWAHDPNQUIHSAN-UHFFFAOYSA-N 0 0 386.447 5.610 50 0 biogenic GKAARN O=C(Nc1ccccc1Br)C1c2ccccc2Oc2ccccc21 ZINC000002224654 206402642 /nfs/dbraw/zinc/40/26/42/206402642.db2.gz 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ZINC000006963005 206697733 /nfs/dbraw/zinc/69/77/33/206697733.db2.gz XZNPZAXCHDJHRN-UHFFFAOYSA-N 0 0 382.463 5.128 50 0 GKAARN COc1ccc(-c2nc(NC(=O)c3cc(C)nc4ccccc43)sc2C)cc1 ZINC000006967450 206698059 /nfs/dbraw/zinc/69/80/59/206698059.db2.gz MVWLFLCNIIHCDP-UHFFFAOYSA-N 0 0 389.480 5.236 50 0 GKAARN O=C(Nc1nc(-c2cccnc2)cs1)c1cc2c(s1)-c1ccccc1OC2 ZINC000006969457 206698297 /nfs/dbraw/zinc/69/82/97/206698297.db2.gz UMYRDVVYIHGZPX-UHFFFAOYSA-N 0 0 391.477 5.078 50 0 GKAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NC2CCCCCC2)cc1 ZINC000007003746 206698632 /nfs/dbraw/zinc/69/86/32/206698632.db2.gz LZMSETRFZOWHLK-UHFFFAOYSA-N 0 0 390.531 5.052 50 0 GKAARN CCOc1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1 ZINC000006997500 206698799 /nfs/dbraw/zinc/69/87/99/206698799.db2.gz BSOPJMXEEUYESC-UHFFFAOYSA-N 0 0 375.291 5.715 50 0 GKAARN O=C(c1cn(CCC[C@@H](O)CF)c2ccccc12)c1cccc2ccccc21 ZINC000071746302 211053337 /nfs/dbraw/zinc/05/33/37/211053337.db2.gz HTFNNXALSQKDIS-GOSISDBHSA-N 0 0 375.443 5.136 50 0 in-vitro GKAARN COc1ccc2[nH]c(C(=O)N3CCC[C@H](CCc4ccc(F)cc4)C3)c(C)c2c1 ZINC000071752236 211056972 /nfs/dbraw/zinc/05/69/72/211056972.db2.gz ZUUMBWHUXUKMIW-GOSISDBHSA-N 0 0 394.490 5.109 50 0 GKAARN COc1cc2c(cc1NC(=S)NCc1ccc(F)cc1)oc1ccccc12 ZINC000007351308 206708878 /nfs/dbraw/zinc/70/88/78/206708878.db2.gz QKVWXQGDNBKNCE-UHFFFAOYSA-N 0 0 380.444 5.220 50 0 GKAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000007371508 206710910 /nfs/dbraw/zinc/71/09/10/206710910.db2.gz YAQASMUNCMHQCB-AWEZNQCLSA-N 0 0 389.484 5.048 50 0 GKAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccccc1C(F)(F)F ZINC000007699755 206720668 /nfs/dbraw/zinc/72/06/68/206720668.db2.gz LPKNAJPMZNEUJE-LCYFTJDESA-N 0 0 376.403 5.038 50 0 GKAARN Cc1ccccc1CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1 ZINC000071327559 211045685 /nfs/dbraw/zinc/04/56/85/211045685.db2.gz HJBKZYACJFATKV-UHFFFAOYSA-N 0 0 396.512 5.246 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)NCCc2ccc(Cl)cc2)s1 ZINC000071326565 211045222 /nfs/dbraw/zinc/04/52/22/211045222.db2.gz 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/nfs/dbraw/zinc/03/47/99/211034799.db2.gz GFSGBVVCJZJSDP-UHFFFAOYSA-N 0 0 385.920 5.310 50 0 GKAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1cc2ccccc2o1 ZINC000007763549 206723955 /nfs/dbraw/zinc/72/39/55/206723955.db2.gz CBEDYPRSJRCVSY-UHFFFAOYSA-N 0 0 381.482 5.063 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000008285887 206744302 /nfs/dbraw/zinc/74/43/02/206744302.db2.gz ZGFFRENMHLVORN-UHFFFAOYSA-N 0 0 386.245 5.182 50 0 GKAARN COc1cccc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067894732 211028373 /nfs/dbraw/zinc/02/83/73/211028373.db2.gz DLTHZENQQJCRJL-UHFFFAOYSA-N 0 0 395.886 5.116 50 0 GKAARN COc1ccc2cc([C@H](C)C(=O)NCCSCc3cccs3)ccc2c1 ZINC000008350651 206748711 /nfs/dbraw/zinc/74/87/11/206748711.db2.gz VVWNKWITJRLPMB-HNNXBMFYSA-N 0 0 385.554 5.063 50 0 GKAARN Cc1nc2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)cc2s1 ZINC000008187487 206740160 /nfs/dbraw/zinc/74/01/60/206740160.db2.gz HOQNJJRWXJDPKB-UHFFFAOYSA-N 0 0 391.500 5.060 50 0 GKAARN Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(OC(F)F)c1 ZINC000008682734 206759453 /nfs/dbraw/zinc/75/94/53/206759453.db2.gz BYZTYQQPRFCLCI-UHFFFAOYSA-N 0 0 377.243 5.712 50 0 GKAARN CSc1ccc(CCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)cc1 ZINC000008595438 206755992 /nfs/dbraw/zinc/75/59/92/206755992.db2.gz ULNSPVPTXHIEII-UHFFFAOYSA-N 0 0 396.903 5.315 50 0 GKAARN COc1ccc(NCc2ccccc2-c2nnc(-c3ccccc3)o2)cc1Cl ZINC000008594433 206757199 /nfs/dbraw/zinc/75/71/99/206757199.db2.gz YADOHNGSDIEEDD-UHFFFAOYSA-N 0 0 391.858 5.678 50 0 GKAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCc3ccccc3C)cc12 ZINC000008912280 206767962 /nfs/dbraw/zinc/76/79/62/206767962.db2.gz GIYBBWYZRCFTPK-UHFFFAOYSA-N 0 0 396.534 5.853 50 0 GKAARN COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000008908293 206768371 /nfs/dbraw/zinc/76/83/71/206768371.db2.gz AYXSPEULIWPTCL-UHFFFAOYSA-N 0 0 388.492 5.543 50 0 GKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2)cc1 ZINC000067297642 211006742 /nfs/dbraw/zinc/00/67/42/211006742.db2.gz MGIHRLDZPLBDNC-RWEWTDSWSA-N 0 0 388.398 5.065 50 0 GKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(Cl)c1 ZINC000067296162 211006652 /nfs/dbraw/zinc/00/66/52/211006652.db2.gz PQXCLRUDHMGUNM-NMWGTECJSA-N 0 0 395.871 5.336 50 0 GKAARN Cc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000009065056 206774607 /nfs/dbraw/zinc/77/46/07/206774607.db2.gz XJLGOAVJVGDLTA-UHFFFAOYSA-N 0 0 379.272 5.464 50 0 GKAARN CCCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O ZINC000067259692 211005366 /nfs/dbraw/zinc/00/53/66/211005366.db2.gz WEMIWVRJKPNBBT-UHFFFAOYSA-N 0 0 380.557 5.786 50 0 GKAARN CCCCn1nc(NC(=O)c2ccccc2Cl)c2cc3ccc(C)cc3nc21 ZINC000009329399 206783826 /nfs/dbraw/zinc/78/38/26/206783826.db2.gz DIVKQRDVTICYQW-UHFFFAOYSA-N 0 0 392.890 5.599 50 0 GKAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccc(F)cc1 ZINC000067259268 211004951 /nfs/dbraw/zinc/00/49/51/211004951.db2.gz QGFKUTPCDYYKNZ-UHFFFAOYSA-N 0 0 394.446 5.015 50 0 GKAARN CCc1cccc(C)c1NC(=O)CSc1cc(C)nc(-c2cccc(F)c2)n1 ZINC000067257382 211005037 /nfs/dbraw/zinc/00/50/37/211005037.db2.gz ZLSFZVUIUGIKFS-UHFFFAOYSA-N 0 0 395.503 5.193 50 0 GKAARN CCCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cccc(C)c3nc21 ZINC000009328357 206784283 /nfs/dbraw/zinc/78/42/83/206784283.db2.gz FQHAYZTYRUCEQG-UHFFFAOYSA-N 0 0 376.435 5.084 50 0 GKAARN O=C(Nc1ccccc1N1CCCCC1)c1cccc(OCc2ccccc2)c1 ZINC000009434999 206787540 /nfs/dbraw/zinc/78/75/40/206787540.db2.gz MZFFMLBJXRDUAZ-UHFFFAOYSA-N 0 0 386.495 5.508 50 0 GKAARN Cc1ccc(-c2csc(-c3nc(-c4cc(C)ccc4C)cs3)n2)c(C)c1 ZINC000009597474 206793680 /nfs/dbraw/zinc/79/36/80/206793680.db2.gz NSCYQOQUQXBAKR-UHFFFAOYSA-N 0 0 376.550 6.834 50 0 GKAARN C[C@@H](CCc1ccccc1)Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc21 ZINC000067288294 211006405 /nfs/dbraw/zinc/00/64/05/211006405.db2.gz IGMRZTDLCUEZFT-KRWDZBQOSA-N 0 0 391.490 5.043 50 0 GKAARN C[C@H](Nc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12)c1ccccc1 ZINC000067261498 211006027 /nfs/dbraw/zinc/00/60/27/211006027.db2.gz LADHDDWUDAHNLP-HNNXBMFYSA-N 0 0 399.885 5.771 50 0 GKAARN COc1ccc([C@@H](C)Nc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 ZINC000067262237 211006031 /nfs/dbraw/zinc/00/60/31/211006031.db2.gz HZFNNNGLXVONCP-MRXNPFEDSA-N 0 0 395.466 5.126 50 0 GKAARN Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)c1 ZINC000009935831 206804899 /nfs/dbraw/zinc/80/48/99/206804899.db2.gz FOIUNYNARQDLNX-INIZCTEOSA-N 0 0 377.875 5.403 50 0 GKAARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccccc1O ZINC000010217062 206808517 /nfs/dbraw/zinc/80/85/17/206808517.db2.gz HKTCWPKZJSGKOV-UHFFFAOYSA-N 0 0 384.435 5.286 50 0 GKAARN O=C(NCc1csc(-c2ccccc2)n1)c1ccc(SC(F)F)cc1 ZINC000010894264 206817699 /nfs/dbraw/zinc/81/76/99/206817699.db2.gz QTWNINRJJCLJBJ-UHFFFAOYSA-N 0 0 376.453 5.055 50 0 GKAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CC[C@@H](C2CCCCC2)C1 ZINC000011664361 206829745 /nfs/dbraw/zinc/82/97/45/206829745.db2.gz AHFXHYQLLAZAMB-GOSISDBHSA-N 0 0 379.529 5.105 50 0 GKAARN CC(C)Sc1ccccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000011690028 206830411 /nfs/dbraw/zinc/83/04/11/206830411.db2.gz VIWXZSRWEWDVAM-UHFFFAOYSA-N 0 0 388.492 6.248 50 0 GKAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)Nc1cccc(F)c1 ZINC000065240951 210979057 /nfs/dbraw/zinc/97/90/57/210979057.db2.gz LNNJYTYQUQJIAU-UHFFFAOYSA-N 0 0 394.475 5.441 50 0 GKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc2ccccc2s1 ZINC000011327738 206823591 /nfs/dbraw/zinc/82/35/91/206823591.db2.gz LBQFGQFBMZMGQI-UHFFFAOYSA-N 0 0 383.860 5.176 50 0 GKAARN O=C(C1CCCCC1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000011662224 206826848 /nfs/dbraw/zinc/82/68/48/206826848.db2.gz QLIUWORDMXIOSH-QHCPKHFHSA-N 0 0 376.475 5.361 50 0 GKAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000011614481 206826946 /nfs/dbraw/zinc/82/69/46/206826946.db2.gz IPBXEFSRQGRRNT-FQEVSTJZSA-N 0 0 387.822 5.196 50 0 GKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)c1 ZINC000065184847 210972398 /nfs/dbraw/zinc/97/23/98/210972398.db2.gz BMNJXPMPSSQWSA-UHFFFAOYSA-N 0 0 387.892 5.418 50 0 GKAARN Cc1[nH]c2ccc(CNC(=O)c3cccnc3SC3CCCC3)cc2c1C ZINC000065109545 210966846 /nfs/dbraw/zinc/96/68/46/210966846.db2.gz RCSVXRNMWDNTPF-UHFFFAOYSA-N 0 0 379.529 5.144 50 0 GKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(C(F)(F)F)cc2)n1 ZINC000065114247 210966103 /nfs/dbraw/zinc/96/61/03/210966103.db2.gz KMHXPFUSZPZLDD-UHFFFAOYSA-N 0 0 389.377 5.266 50 0 GKAARN CCCCCCNC(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025536 210962216 /nfs/dbraw/zinc/96/22/16/210962216.db2.gz WURAIJMIVWGKNR-UHFFFAOYSA-N 0 0 380.536 5.198 50 0 GKAARN CC(C)c1ccc(NC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1 ZINC000065025667 210961357 /nfs/dbraw/zinc/96/13/57/210961357.db2.gz SJARQMGMIUAUCX-UHFFFAOYSA-N 0 0 386.499 5.120 50 0 GKAARN Cc1cccc(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)c1 ZINC000064676218 210944998 /nfs/dbraw/zinc/94/49/98/210944998.db2.gz FKZNEVZWIDNBOD-UHFFFAOYSA-N 0 0 381.888 5.206 50 0 GKAARN COCCNc1c(-c2ccc(C)c(C)c2)nc2sc3cc(Cl)ccc3n21 ZINC000064668464 210945010 /nfs/dbraw/zinc/94/50/10/210945010.db2.gz JFOJCJGBYHOETR-UHFFFAOYSA-N 0 0 385.920 5.545 50 0 GKAARN CN(Cc1ccccc1)C(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657610 210942798 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Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)CC(C)C)cs2)c1C ZINC000036107164 210712394 /nfs/dbraw/zinc/71/23/94/210712394.db2.gz SHAJUWZZCPDJFY-UHFFFAOYSA-N 0 0 388.577 5.370 50 0 GKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017078506 207084019 /nfs/dbraw/zinc/08/40/19/207084019.db2.gz UCNUDSYMXYRLSJ-UHFFFAOYSA-N 0 0 384.479 5.840 50 0 GKAARN Cn1c(SCc2ccccc2F)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000017078324 207084088 /nfs/dbraw/zinc/08/40/88/207084088.db2.gz KZNPZOTUBCZSNN-UHFFFAOYSA-N 0 0 383.492 5.235 50 0 GKAARN Cn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\C(=O)c1ccccc1 ZINC000017117733 207084449 /nfs/dbraw/zinc/08/44/49/207084449.db2.gz OPJBGPNLIWHYII-VHXPQNKSSA-N 0 0 376.525 5.542 50 0 GKAARN C[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccs1 ZINC000017842752 207090773 /nfs/dbraw/zinc/09/07/73/207090773.db2.gz KCKWZVUZBTUMCV-GFCCVEGCSA-N 0 0 392.402 5.445 50 0 GKAARN Cc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(C)cc1C(c1ccccc1)=N2 ZINC000017729630 207090994 /nfs/dbraw/zinc/09/09/94/207090994.db2.gz 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Cc1ccc(C)c(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000033062433 210621192 /nfs/dbraw/zinc/62/11/92/210621192.db2.gz MBHOOAMNORYBIS-NRFANRHFSA-N 0 0 383.495 5.738 50 0 GKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccccc4)c3)n2)cc1 ZINC000033139170 210628504 /nfs/dbraw/zinc/62/85/04/210628504.db2.gz QYZMHTWNGPVGAM-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN CC(C)n1c(=O)c2c(nc1SCc1ccccc1)c(-c1ccccc1)cn2C ZINC000033114563 210624825 /nfs/dbraw/zinc/62/48/25/210624825.db2.gz RTOAWGZBPFWQKG-UHFFFAOYSA-N 0 0 389.524 5.275 50 0 GKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccccn2)nn1 ZINC000033086766 210623244 /nfs/dbraw/zinc/62/32/44/210623244.db2.gz CTZABRRGARKNTK-UHFFFAOYSA-N 0 0 382.539 5.324 50 0 GKAARN CCCCCCNC(=O)c1cccc(Nc2ccc(-c3ccc(C)cc3)nn2)c1 ZINC000032996979 210612593 /nfs/dbraw/zinc/61/25/93/210612593.db2.gz LWXACPYZEYZOIN-UHFFFAOYSA-N 0 0 388.515 5.506 50 0 GKAARN O=C(CCC1CCCC1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000032961065 210610242 /nfs/dbraw/zinc/61/02/42/210610242.db2.gz 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CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(C)cc2)cs1 ZINC000020178607 207183261 /nfs/dbraw/zinc/18/32/61/207183261.db2.gz OEQSSPXEZHLOOB-UHFFFAOYSA-N 0 0 394.584 6.078 50 0 GKAARN COc1ccccc1N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020275049 207185468 /nfs/dbraw/zinc/18/54/68/207185468.db2.gz UMLFRYQRDFRLGI-FQEVSTJZSA-N 0 0 391.858 5.600 50 0 GKAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c(Cl)c2)n1Cc1cccs1 ZINC000020319802 207189157 /nfs/dbraw/zinc/18/91/57/207189157.db2.gz IIXDUYLINAKQHI-QGZVFWFLSA-N 0 0 390.295 5.217 50 0 GKAARN Clc1ccc(CN2COc3c(cc(Cl)c4cccnc43)C2)cc1Cl ZINC000020366132 207189969 /nfs/dbraw/zinc/18/99/69/207189969.db2.gz MPOHDHGEKVUNOI-UHFFFAOYSA-N 0 0 379.674 5.547 50 0 GKAARN Clc1ccccc1CSc1ccnc(SCc2ccccc2Cl)n1 ZINC000020120551 207179358 /nfs/dbraw/zinc/17/93/58/207179358.db2.gz WCHBFTIUWCBJTJ-UHFFFAOYSA-N 0 0 393.364 6.368 50 0 GKAARN CC(C)Oc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000020492933 207198841 /nfs/dbraw/zinc/19/88/41/207198841.db2.gz NBITUSXTTIEWGO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/20/57/23/207205723.db2.gz VDZZAXKWHQUMBP-UHFFFAOYSA-N 0 0 395.915 5.918 50 0 GKAARN CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)c(C)n1 ZINC000020602822 207206086 /nfs/dbraw/zinc/20/60/86/207206086.db2.gz OCSIEDFIVGTQIQ-UHFFFAOYSA-N 0 0 395.457 5.226 50 0 GKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020603225 207206304 /nfs/dbraw/zinc/20/63/04/207206304.db2.gz DDWAPMAZJQZNDO-UHFFFAOYSA-N 0 0 387.792 6.126 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)cc1 ZINC000020602838 207206576 /nfs/dbraw/zinc/20/65/76/207206576.db2.gz OGTMMTBOEAFBCP-UHFFFAOYSA-N 0 0 393.437 5.905 50 0 GKAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)sc21 ZINC000020615786 207207444 /nfs/dbraw/zinc/20/74/44/207207444.db2.gz ZETWSMDWKFFGNN-UHFFFAOYSA-N 0 0 394.205 5.213 50 0 GKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccccc3)cc(C(F)F)c12 ZINC000020615083 207208009 /nfs/dbraw/zinc/20/80/09/207208009.db2.gz XVRGUMJHODVXDA-UHFFFAOYSA-N 0 0 381.401 6.288 50 0 GKAARN CCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 ZINC000020808372 207215056 /nfs/dbraw/zinc/21/50/56/207215056.db2.gz SNWWTGCHNYKVCC-UHFFFAOYSA-N 0 0 376.843 5.963 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(n2)-c2cc(Cl)ccc2OC3)cc1 ZINC000020847405 207215124 /nfs/dbraw/zinc/21/51/24/207215124.db2.gz PROJQOVTGHRVAD-UHFFFAOYSA-N 0 0 397.905 7.245 50 0 GKAARN C/C(=C\c1ccco1)CN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C)n1 ZINC000020784633 207215367 /nfs/dbraw/zinc/21/53/67/207215367.db2.gz FWHKNMWRERHRKF-AZBDZEDCSA-N 0 0 383.495 5.515 50 0 GKAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)C1CCCCC1 ZINC000020867189 207216146 /nfs/dbraw/zinc/21/61/46/207216146.db2.gz WJFBWXWRFAPPMA-UHFFFAOYSA-N 0 0 377.962 6.079 50 0 GKAARN COc1ccccc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000020852791 207216265 /nfs/dbraw/zinc/21/62/65/207216265.db2.gz YLRUTQVILSGXBA-HXUWFJFHSA-N 0 0 375.403 5.086 50 0 GKAARN Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000020865824 207216816 /nfs/dbraw/zinc/21/68/16/207216816.db2.gz NAEQZONMSYIQKQ-UHFFFAOYSA-N 0 0 396.918 5.103 50 0 GKAARN CCCCC(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 ZINC000020895066 207218201 /nfs/dbraw/zinc/21/82/01/207218201.db2.gz UARPSXCAHORRQO-UHFFFAOYSA-N 0 0 386.542 5.596 50 0 GKAARN Cc1ccc(CSc2nc3ccc(NC(=O)c4ccco4)cc3s2)cc1 ZINC000020895231 207218261 /nfs/dbraw/zinc/21/82/61/207218261.db2.gz URYYYPJHVOBWGU-UHFFFAOYSA-N 0 0 380.494 5.742 50 0 GKAARN Cc1ccc2c(c1)sc(C(=O)Nc1nc3c(s1)C[C@H](C)CC3)c2Cl ZINC000020897357 207218377 /nfs/dbraw/zinc/21/83/77/207218377.db2.gz FHESVIWOSGZBLG-SNVBAGLBSA-N 0 0 376.934 5.697 50 0 GKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](c1ccccc1C)SCC(=O)N2 ZINC000020898698 207218562 /nfs/dbraw/zinc/21/85/62/207218562.db2.gz PWFXGLWMNMTSPK-FQEVSTJZSA-N 0 0 397.931 5.226 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020979947 207221668 /nfs/dbraw/zinc/22/16/68/207221668.db2.gz MDENHYBHJBEADR-UHFFFAOYSA-N 0 0 384.483 5.095 50 0 GKAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCc3cccs3)cc12 ZINC000020985379 207223146 /nfs/dbraw/zinc/22/31/46/207223146.db2.gz ZOWJVQWMHXNLGV-UHFFFAOYSA-N 0 0 392.499 5.437 50 0 GKAARN CCOc1ccc(CCNC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1 ZINC000020986109 207223722 /nfs/dbraw/zinc/22/37/22/207223722.db2.gz DUGUBWPGQJUXMN-UHFFFAOYSA-N 0 0 390.508 5.063 50 0 GKAARN Cc1ccc2c(c1)-c1c(c(C(=O)Nc3cccc(Cl)c3C)nn1C)CS2 ZINC000021049293 207224993 /nfs/dbraw/zinc/22/49/93/207224993.db2.gz OUXFXJLJTNSLCD-UHFFFAOYSA-N 0 0 383.904 5.215 50 0 GKAARN Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017436 207225027 /nfs/dbraw/zinc/22/50/27/207225027.db2.gz YNIYZVWLFWKICQ-UHFFFAOYSA-N 0 0 375.353 5.658 50 0 GKAARN Cc1cccc(Nc2nc(C(=O)Nc3ccc(C)cc3C)nc3ccccc32)c1 ZINC000021156285 207226651 /nfs/dbraw/zinc/22/66/51/207226651.db2.gz NVEZJVRVILRTLJ-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN c1cc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc2nnn(C3CCCC3)c12 ZINC000021116973 207227203 /nfs/dbraw/zinc/22/72/03/207227203.db2.gz 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/nfs/dbraw/zinc/23/60/41/207236041.db2.gz ZWULUEPDZIASHA-QHCPKHFHSA-N 0 0 382.467 5.051 50 0 GKAARN CC(C)c1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000021725824 207236049 /nfs/dbraw/zinc/23/60/49/207236049.db2.gz DEVYHZDISFPQGK-MRXNPFEDSA-N 0 0 388.496 5.080 50 0 GKAARN O=C1C[C@@H](c2ccccc2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 ZINC000021728682 207237013 /nfs/dbraw/zinc/23/70/13/207237013.db2.gz ZVSOLFXHDNDGHL-FQEVSTJZSA-N 0 0 399.881 5.667 50 0 GKAARN Cc1nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc(N2CCCCC2)n1 ZINC000021794271 207237449 /nfs/dbraw/zinc/23/74/49/207237449.db2.gz RZGAWZVKFOMYTD-UHFFFAOYSA-N 0 0 393.535 5.038 50 0 GKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc2c1CCCC2 ZINC000021890108 207240881 /nfs/dbraw/zinc/24/08/81/207240881.db2.gz FYBFUBOKNFHEIR-JOCHJYFZSA-N 0 0 385.511 5.855 50 0 GKAARN COc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1C(C)C ZINC000021889614 207240966 /nfs/dbraw/zinc/24/09/66/207240966.db2.gz RKDUXXZOTTXUOT-QFIPXVFZSA-N 0 0 375.472 5.231 50 0 GKAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1 ZINC000021888995 207241027 /nfs/dbraw/zinc/24/10/27/207241027.db2.gz OAZDSWBVHLMRQE-QHCPKHFHSA-N 0 0 391.490 5.277 50 0 GKAARN CC(C)=CCC/C(C)=C/CNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022346511 207251759 /nfs/dbraw/zinc/25/17/59/207251759.db2.gz DRFYVDUJJCMKAA-NBVRZTHBSA-N 0 0 380.532 6.062 50 0 GKAARN COc1cc2c(cc1OC)[C@H](C(C)C)N(C(=O)C[C@H](C)CC(C)(C)C)CC2 ZINC000022321805 207252004 /nfs/dbraw/zinc/25/20/04/207252004.db2.gz DVVGBGRSIPPODW-AOMKIAJQSA-N 0 0 375.553 5.248 50 0 GKAARN Cc1cc(-c2cc(C(=O)N3CCCCCC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000022314843 207252427 /nfs/dbraw/zinc/25/24/27/207252427.db2.gz RMZWOXDJSAOWLD-UHFFFAOYSA-N 0 0 396.560 5.374 50 0 GKAARN Clc1ccc2nc3c(c(-c4ccccc4Cl)c2c1)-c1ccccc1CC3 ZINC000022461023 207252984 /nfs/dbraw/zinc/25/29/84/207252984.db2.gz CVYJUOAAHCKKPL-UHFFFAOYSA-N 0 0 376.286 6.974 50 0 GKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000021915149 207242582 /nfs/dbraw/zinc/24/25/82/207242582.db2.gz YYHUISDKQZMWDZ-UHFFFAOYSA-N 0 0 383.413 5.496 50 0 GKAARN Cc1nc2nc(Cc3cccc(F)c3)nn2c(Nc2ccc(F)c(Cl)c2)c1C ZINC000021941682 207242952 /nfs/dbraw/zinc/24/29/52/207242952.db2.gz JRCLFPGGAIIOCR-UHFFFAOYSA-N 0 0 399.832 5.007 50 0 GKAARN Cc1cccc(Nc2nc(C(=O)Nc3cc(F)ccc3F)nc3ccccc32)c1 ZINC000021937694 207243745 /nfs/dbraw/zinc/24/37/45/207243745.db2.gz YJPJVLOKLAHAGA-UHFFFAOYSA-N 0 0 390.393 5.212 50 0 GKAARN Cc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cn1 ZINC000022414154 207254229 /nfs/dbraw/zinc/25/42/29/207254229.db2.gz UIIQMHVPXIDFMI-UHFFFAOYSA-N 0 0 383.523 5.556 50 0 GKAARN Cc1ccc(-c2c3c4c(sc3nc3c2-c2ccccc2CC3)CCCC4)cc1 ZINC000022462279 207255555 /nfs/dbraw/zinc/25/55/55/207255555.db2.gz UGHYXHNPSQYCOV-UHFFFAOYSA-N 0 0 381.544 6.916 50 0 GKAARN C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1 ZINC000022621495 207257656 /nfs/dbraw/zinc/25/76/56/207257656.db2.gz HVRPMXRNYHZZLC-WCBMZHEXSA-N 0 0 393.236 5.037 50 0 GKAARN C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl)CC(C)(C)C ZINC000022632963 207257676 /nfs/dbraw/zinc/25/76/76/207257676.db2.gz GCFDESZIBGOGBM-SBUREZEXSA-N 0 0 383.963 6.277 50 0 GKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000022649891 207257708 /nfs/dbraw/zinc/25/77/08/207257708.db2.gz KKWLAIYKNCVTTB-MHECFPHRSA-N 0 0 395.543 5.394 50 0 GKAARN COc1ccc2c(c1)-c1sc(C(=O)N(C(C)C)C3CCCCC3)cc1CC2 ZINC000022659563 207257883 /nfs/dbraw/zinc/25/78/83/207257883.db2.gz BKXDQWHLTSJHTL-UHFFFAOYSA-N 0 0 383.557 5.706 50 0 GKAARN C[C@H](CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl)CC(C)(C)C ZINC000022632967 207257923 /nfs/dbraw/zinc/25/79/23/207257923.db2.gz GCFDESZIBGOGBM-HXOBKFHXSA-N 0 0 383.963 6.277 50 0 GKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000022648531 207258399 /nfs/dbraw/zinc/25/83/99/207258399.db2.gz AGCRKGDMYJQVTB-UHFFFAOYSA-N 0 0 386.300 5.607 50 0 GKAARN CCC[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](c1ccccc1)C2 ZINC000022657773 207258510 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ZINC000023331267 210440883 /nfs/dbraw/zinc/44/08/83/210440883.db2.gz OSDJSROGUFOXLE-QFIPXVFZSA-N 0 0 396.317 6.090 50 0 GKAARN O=C(Nc1ccc(F)cc1F)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023321228 210440922 /nfs/dbraw/zinc/44/09/22/210440922.db2.gz ZMSTYHUOTXYNKI-NRFANRHFSA-N 0 0 382.385 5.284 50 0 GKAARN O=C(c1c(F)cccc1F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023331997 210440473 /nfs/dbraw/zinc/44/04/73/210440473.db2.gz VQMSOLVBKMUBGK-OAQYLSRUSA-N 0 0 383.825 5.406 50 0 GKAARN Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000023121297 210434775 /nfs/dbraw/zinc/43/47/75/210434775.db2.gz IZFQYOCAQNHLKC-UHFFFAOYSA-N 0 0 377.469 5.139 50 0 GKAARN COc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000023323060 210439718 /nfs/dbraw/zinc/43/97/18/210439718.db2.gz ZFTXMAMUTNBVEU-QFIPXVFZSA-N 0 0 392.886 5.528 50 0 GKAARN COc1ccc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC000023320175 210439740 /nfs/dbraw/zinc/43/97/40/210439740.db2.gz ZCJKKQDPXZCLOT-UHFFFAOYSA-N 0 0 391.414 5.373 50 0 GKAARN COc1ccccc1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000023306695 210439472 /nfs/dbraw/zinc/43/94/72/210439472.db2.gz RKHGENMMWAUBAB-UHFFFAOYSA-N 0 0 396.874 5.023 50 0 GKAARN CC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101637218 208395943 /nfs/dbraw/zinc/39/59/43/208395943.db2.gz JEKQPZGODPLINH-WSOYEBOPSA-N 0 0 375.487 5.515 50 0 GKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 ZINC000101639540 208396157 /nfs/dbraw/zinc/39/61/57/208396157.db2.gz WNZGRXATGSJFJE-QFIPXVFZSA-N 0 0 389.499 5.530 50 0 GKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 ZINC000101639543 208396781 /nfs/dbraw/zinc/39/67/81/208396781.db2.gz WNZGRXATGSJFJE-JOCHJYFZSA-N 0 0 389.499 5.530 50 0 GKAARN CCCC[C@H](CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000022649884 210421100 /nfs/dbraw/zinc/42/11/00/210421100.db2.gz KKWLAIYKNCVTTB-UUOWRZLLSA-N 0 0 395.543 5.394 50 0 GKAARN CCCC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022629274 210418963 /nfs/dbraw/zinc/41/89/63/210418963.db2.gz NBOOSBMQNDDNDX-UHFFFAOYSA-N 0 0 391.342 5.027 50 0 GKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C(C)C)cc1F ZINC000021889793 210398626 /nfs/dbraw/zinc/39/86/26/210398626.db2.gz SBIWXVWBCNXACP-QFIPXVFZSA-N 0 0 377.463 5.670 50 0 GKAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)c1 ZINC000022460607 210414445 /nfs/dbraw/zinc/41/44/45/210414445.db2.gz PTKFYETZUZMJDZ-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653390 208428265 /nfs/dbraw/zinc/42/82/65/208428265.db2.gz GKZUPBLNPIVRPB-BBWFWOEESA-N 0 0 395.934 5.707 50 0 GKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888935 210399484 /nfs/dbraw/zinc/39/94/84/210399484.db2.gz GNYCUMUETYMQIU-HSZRJFAPSA-N 0 0 389.474 5.174 50 0 GKAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021893738 210399271 /nfs/dbraw/zinc/39/92/71/210399271.db2.gz FRRIFQZRLLXLDJ-NRFANRHFSA-N 0 0 379.891 5.155 50 0 GKAARN CC(C)[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000021889638 210398968 /nfs/dbraw/zinc/39/89/68/210398968.db2.gz SNVCPTPFXZRUCS-NRFANRHFSA-N 0 0 379.891 5.876 50 0 GKAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)c3ccccc3)n2)cc1 ZINC000021792789 210392794 /nfs/dbraw/zinc/39/27/94/210392794.db2.gz HFOBFPXOUBOFQK-UHFFFAOYSA-N 0 0 381.435 5.072 50 0 GKAARN Cc1ccc(-c2c3nc(C)cc(NCCC(C)C)n3nc2C(F)(F)F)cc1 ZINC000021799453 210392572 /nfs/dbraw/zinc/39/25/72/210392572.db2.gz LYHHWYGNJSBFMY-UHFFFAOYSA-N 0 0 376.426 5.490 50 0 GKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccco2)cc1 ZINC000021715591 210391828 /nfs/dbraw/zinc/39/18/28/210391828.db2.gz CSNYGFQYRSZSPM-JOCHJYFZSA-N 0 0 388.492 5.271 50 0 GKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1cccc(Cl)c1 ZINC000021728323 210391831 /nfs/dbraw/zinc/39/18/31/210391831.db2.gz GTVWRWOWDQFGHK-UHFFFAOYSA-N 0 0 390.830 5.701 50 0 GKAARN O=C(c1ccco1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000021715779 210391415 /nfs/dbraw/zinc/39/14/15/210391415.db2.gz HXRSNCLTNUOCNC-OAQYLSRUSA-N 0 0 376.843 5.202 50 0 GKAARN Cc1cccc(-c2csc(-c3nc(-c4cccnc4)no3)c2-n2cccc2)c1 ZINC000021730596 210391501 /nfs/dbraw/zinc/39/15/01/210391501.db2.gz WNKPAOMSWCDVHE-UHFFFAOYSA-N 0 0 384.464 5.626 50 0 GKAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1 ZINC000021715625 210391084 /nfs/dbraw/zinc/39/10/84/210391084.db2.gz RHJDVJGSJAGWMO-XMMPIXPASA-N 0 0 398.531 5.678 50 0 GKAARN O=C(c1ccncc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000021715781 210391153 /nfs/dbraw/zinc/39/11/53/210391153.db2.gz JNZZUJUHAASQNJ-JOCHJYFZSA-N 0 0 387.870 5.004 50 0 GKAARN Cc1cc(C(=O)NCc2ccc(F)cc2)c2cccc(-c3cccs3)c2n1 ZINC000021705068 210390142 /nfs/dbraw/zinc/39/01/42/210390142.db2.gz ULXUHZJDORSROZ-UHFFFAOYSA-N 0 0 376.456 5.341 50 0 GKAARN Cc1cc(C)cc(Oc2cc(SCC(=O)Nc3ccc(C)c(F)c3)ncn2)c1 ZINC000021657605 210387838 /nfs/dbraw/zinc/38/78/38/210387838.db2.gz NTCLKLFMZQWYFT-UHFFFAOYSA-N 0 0 397.475 5.064 50 0 GKAARN CCc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c1 ZINC000021656613 210387685 /nfs/dbraw/zinc/38/76/85/210387685.db2.gz RZTULASDCJDFBX-UHFFFAOYSA-N 0 0 387.508 5.480 50 0 GKAARN CCOc1ccc(NC(=O)NCc2nc(-c3cccc(Cl)c3)oc2C)cc1 ZINC000021635331 210387388 /nfs/dbraw/zinc/38/73/88/210387388.db2.gz GMKRCHDPODUMOP-UHFFFAOYSA-N 0 0 385.851 5.024 50 0 GKAARN Cc1oc(-c2cccc(Cl)c2)nc1CNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000021635376 210386928 /nfs/dbraw/zinc/38/69/28/210386928.db2.gz LJPFSGSBDZJGQG-UHFFFAOYSA-N 0 0 390.270 5.587 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538037 210386213 /nfs/dbraw/zinc/38/62/13/210386213.db2.gz BRTMOGQJTZJDIR-UHFFFAOYSA-N 0 0 399.494 5.622 50 0 GKAARN c1csc(-c2noc(CN3CCc4sccc4[C@@H]3c3cccs3)n2)c1 ZINC000021584915 210384829 /nfs/dbraw/zinc/38/48/29/210384829.db2.gz KFBJCWOCSHESJR-QGZVFWFLSA-N 0 0 385.539 5.069 50 0 GKAARN Cc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000021879740 210397377 /nfs/dbraw/zinc/39/73/77/210397377.db2.gz SPKFPGWERURWMF-DEOSSOPVSA-N 0 0 399.469 5.795 50 0 GKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1cccc(C)c1)[C@H]2c1ccccc1 ZINC000021048052 210377355 /nfs/dbraw/zinc/37/73/55/210377355.db2.gz NAEMXXIJACKKIP-QFIPXVFZSA-N 0 0 390.552 6.107 50 0 GKAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 ZINC000021107617 210377364 /nfs/dbraw/zinc/37/73/64/210377364.db2.gz AYHYSRUTPKWITM-LJQANCHMSA-N 0 0 384.266 5.155 50 0 GKAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)o1 ZINC000021524394 210384123 /nfs/dbraw/zinc/38/41/23/210384123.db2.gz JWELGPDLPAAASQ-QGZVFWFLSA-N 0 0 398.890 5.254 50 0 GKAARN COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)ccc1NC(C)=O ZINC000121472616 208468537 /nfs/dbraw/zinc/46/85/37/208468537.db2.gz UJVYXDIKGJHTFJ-UHFFFAOYSA-N 0 0 398.459 5.082 50 0 GKAARN Cc1ccccc1-n1cnnc1SCc1nc2ccccc2c(C)c1Cl ZINC000021404761 210381214 /nfs/dbraw/zinc/38/12/14/210381214.db2.gz TVNYIKMMMPRARJ-UHFFFAOYSA-N 0 0 380.904 5.378 50 0 GKAARN CCOc1ccc([C@@H](CC(=O)c2ccccc2)Sc2ccccc2N)cc1 ZINC000226761508 208475231 /nfs/dbraw/zinc/47/52/31/208475231.db2.gz JYQNALKWSPYUAU-HSZRJFAPSA-N 0 0 377.509 5.774 50 0 GKAARN Nc1ccccc1Nc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000021260843 210380261 /nfs/dbraw/zinc/38/02/61/210380261.db2.gz LSPADIDRMPFVSW-UHFFFAOYSA-N 0 0 388.862 5.321 50 0 GKAARN CCn1ncc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1C(F)(F)F ZINC000130985762 208477818 /nfs/dbraw/zinc/47/78/18/208477818.db2.gz XRBLNKRCRWSOEL-CQSZACIVSA-N 0 0 387.405 5.080 50 0 GKAARN Cc1ccsc1-c1nc(CN2CCC([C@@H](O)c3cccs3)CC2)c(C)o1 ZINC000020999743 210374004 /nfs/dbraw/zinc/37/40/04/210374004.db2.gz BXRPLUXDVZXXKF-GOSISDBHSA-N 0 0 388.558 5.027 50 0 GKAARN O=C(Cn1nc(-c2ccccc2)c2cnc3ccccc3c21)Nc1ccccc1F ZINC000020996502 210373294 /nfs/dbraw/zinc/37/32/94/210373294.db2.gz FVLKYWQDVDHTTG-UHFFFAOYSA-N 0 0 396.425 5.029 50 0 GKAARN Cc1ccc(CNc2c(-c3cccc(Br)c3)nc3ncccn32)cc1 ZINC000020996893 210372246 /nfs/dbraw/zinc/37/22/46/210372246.db2.gz UKHLAOJLYHHELZ-UHFFFAOYSA-N 0 0 393.288 5.079 50 0 GKAARN COc1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 ZINC000000949337 208487466 /nfs/dbraw/zinc/48/74/66/208487466.db2.gz UAUOBVHZLHMXQC-UHFFFAOYSA-N 0 0 376.437 5.350 50 0 GKAARN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCc1ccccc1 ZINC000000976292 208489359 /nfs/dbraw/zinc/48/93/59/208489359.db2.gz HSNPWNNEBQGHIO-UHFFFAOYSA-N 0 0 392.450 5.221 50 0 GKAARN CCCCOc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000020897308 210367028 /nfs/dbraw/zinc/36/70/28/210367028.db2.gz NWEQNBHLQVWBCI-UHFFFAOYSA-N 0 0 394.540 5.495 50 0 GKAARN Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c1 ZINC000020897084 210366474 /nfs/dbraw/zinc/36/64/74/210366474.db2.gz MLXCFLDPPSIJBW-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN Cc1c(NC(=O)COc2ccccc2F)cccc1-c1nc2ccccc2s1 ZINC000020897087 210366024 /nfs/dbraw/zinc/36/60/24/210366024.db2.gz IAMIVYJKMCLTPE-UHFFFAOYSA-N 0 0 392.455 5.428 50 0 GKAARN Cc1c(C[NH2+]Cc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025104 210375402 /nfs/dbraw/zinc/37/54/02/210375402.db2.gz ARHXOAOCTKFCAW-UHFFFAOYSA-N 0 0 382.891 5.044 50 0 GKAARN CCc1ccccc1-n1nc(-c2ccc(C)cc2)c2cnc3c(F)cccc3c21 ZINC000021017521 210375030 /nfs/dbraw/zinc/37/50/30/210375030.db2.gz ULSKDPSDNBNNHG-UHFFFAOYSA-N 0 0 381.454 6.251 50 0 GKAARN Cc1c(C[NH2+]CCc2ccccc2C)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021025019 210374251 /nfs/dbraw/zinc/37/42/51/210374251.db2.gz PGYXVYUUDFGKKH-UHFFFAOYSA-N 0 0 396.918 5.086 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 ZINC000002961325 208507070 /nfs/dbraw/zinc/50/70/70/208507070.db2.gz LBVWBZFDILUYQE-UHFFFAOYSA-N 0 0 387.508 5.908 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000003176854 208507687 /nfs/dbraw/zinc/50/76/87/208507687.db2.gz LFHFPISUQDYOLE-UHFFFAOYSA-N 0 0 386.904 5.895 50 0 GKAARN CCOc1cccc2c1Oc1nc(-c3ccc(C(C)C)cc3)[nH]c(=S)c1C2 ZINC000020861667 210365202 /nfs/dbraw/zinc/36/52/02/210365202.db2.gz JKKZGYRDEHNZRT-UHFFFAOYSA-N 0 0 378.497 6.025 50 0 GKAARN CC(C)c1ccc(N(C(=O)C2CCCCC2)c2nc3ccccc3s2)cc1 ZINC000003295959 208510144 /nfs/dbraw/zinc/51/01/44/208510144.db2.gz PFRSIZOBBVQZBX-UHFFFAOYSA-N 0 0 378.541 6.665 50 0 GKAARN FC(F)(F)c1cccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000020852922 210363012 /nfs/dbraw/zinc/36/30/12/210363012.db2.gz SBJOBTWPRCIIDW-LJQANCHMSA-N 0 0 395.384 5.957 50 0 GKAARN COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/O)oc21 ZINC000020849293 210363020 /nfs/dbraw/zinc/36/30/20/210363020.db2.gz URFGITRCDNIIBZ-PYCFMQQDSA-N 0 0 384.844 5.175 50 0 GKAARN FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000003444542 208512590 /nfs/dbraw/zinc/51/25/90/208512590.db2.gz GEIPLVBUPWBHTP-UHFFFAOYSA-N 0 0 398.759 6.187 50 0 GKAARN Cc1cccc(-c2nc3ccccc3c(Nc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000020806672 210362625 /nfs/dbraw/zinc/36/26/25/210362625.db2.gz XHFBLOWECSCCSM-UHFFFAOYSA-N 0 0 379.385 6.368 50 0 GKAARN Cc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2N=C1c1ccc(F)cc1 ZINC000020851066 210362739 /nfs/dbraw/zinc/36/27/39/210362739.db2.gz CPRSCOJONRGERB-NRFANRHFSA-N 0 0 390.483 5.758 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3c2COc2ccc(C)cc2-3)cc1 ZINC000020847384 210362393 /nfs/dbraw/zinc/36/23/93/210362393.db2.gz NPWQKWMHPSRTLF-UHFFFAOYSA-N 0 0 393.486 6.600 50 0 GKAARN CCOc1ccc2c(c1)[C@@](C)(c1ccc3c(c1)C(C)=CC(C)(C)N3)CC(C)(C)N2 ZINC000001899223 208498519 /nfs/dbraw/zinc/49/85/19/208498519.db2.gz FUGIFGQDDYQBRC-AREMUKBSSA-N 0 0 390.571 6.593 50 0 biogenic GKAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)cc1 ZINC000001904922 208498976 /nfs/dbraw/zinc/49/89/76/208498976.db2.gz MDJDMKLCRWAEDL-UHFFFAOYSA-N 0 0 387.914 6.991 50 0 GKAARN Cc1cc(C)c(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1C ZINC000001896825 208499566 /nfs/dbraw/zinc/49/95/66/208499566.db2.gz BZDMNKIDNHPELJ-UHFFFAOYSA-N 0 0 390.490 6.051 50 0 GKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000020738317 210359737 /nfs/dbraw/zinc/35/97/37/210359737.db2.gz NBDHWBQVSKIXPJ-PGRDOPGGSA-N 0 0 394.858 5.574 50 0 GKAARN O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000020720591 210357415 /nfs/dbraw/zinc/35/74/15/210357415.db2.gz NHJZPYUBWSINJI-UHFFFAOYSA-N 0 0 391.430 5.809 50 0 GKAARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1C ZINC000002917632 208505667 /nfs/dbraw/zinc/50/56/67/208505667.db2.gz XKBHZLPOCPPVPF-UHFFFAOYSA-N 0 0 389.933 5.206 50 0 GKAARN O=C(Nc1ccccc1F)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000002876334 208506359 /nfs/dbraw/zinc/50/63/59/208506359.db2.gz XJWRKKLAIDFIPK-UHFFFAOYSA-N 0 0 393.805 5.448 50 0 GKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 ZINC000020615140 210353866 /nfs/dbraw/zinc/35/38/66/210353866.db2.gz CCMXODYPEWZCMM-UHFFFAOYSA-N 0 0 391.418 5.313 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020615389 210353927 /nfs/dbraw/zinc/35/39/27/210353927.db2.gz LWUIEWWSDHVDHL-UHFFFAOYSA-N 0 0 397.356 5.201 50 0 GKAARN Fc1ccc(-n2ncc3c2nc(-c2ccc(Cl)cc2)cc3C(F)(F)F)cc1 ZINC000020615576 210354007 /nfs/dbraw/zinc/35/40/07/210354007.db2.gz JRQMGIHVIJEGKH-UHFFFAOYSA-N 0 0 391.755 5.899 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cc1 ZINC000020615420 210353084 /nfs/dbraw/zinc/35/30/84/210353084.db2.gz XNCRRZOGHUXCAZ-UHFFFAOYSA-N 0 0 389.449 6.465 50 0 GKAARN CCCn1nc(C)c2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000020605151 210352756 /nfs/dbraw/zinc/35/27/56/210352756.db2.gz BMZGCNFXDPFJTK-UHFFFAOYSA-N 0 0 398.226 5.598 50 0 GKAARN COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OCC(C)C)c(C)c1C ZINC000004023574 208533209 /nfs/dbraw/zinc/53/32/09/208533209.db2.gz FDHOVEHEYUXOMX-GROAWRNASA-N 0 0 382.544 6.282 50 0 biogenic GKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020605407 210352174 /nfs/dbraw/zinc/35/21/74/210352174.db2.gz BLUAKCAUMFWROE-UHFFFAOYSA-N 0 0 387.430 5.844 50 0 GKAARN Cc1cc2cc(CNC(=O)c3c(C)onc3-c3ccccc3Cl)ccc2n1C ZINC000004061582 208534026 /nfs/dbraw/zinc/53/40/26/208534026.db2.gz ILBZPQNSCUGKIV-UHFFFAOYSA-N 0 0 393.874 5.034 50 0 GKAARN CCOc1cccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc21 ZINC000004069865 208534133 /nfs/dbraw/zinc/53/41/33/208534133.db2.gz IPRXQHHOLXXODE-UHFFFAOYSA-N 0 0 390.464 5.740 50 0 GKAARN CC[C@@H](C)n1c2nc(-c3ccc(OC)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603530 210350316 /nfs/dbraw/zinc/35/03/16/210350316.db2.gz XSOBLUYZELJIGK-SNVBAGLBSA-N 0 0 391.443 5.038 50 0 GKAARN CCc1ccc([C@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)cc1 ZINC000004084375 208535129 /nfs/dbraw/zinc/53/51/29/208535129.db2.gz UVRRDAWGCJGFKQ-BWKNWUBXSA-N 0 0 378.475 5.421 50 0 biogenic GKAARN C[C@H](NC(=O)c1cc2c3c(ccc2Cl)OCCn13)C12CC3CC(CC(C3)C1)C2 ZINC000020559997 210348821 /nfs/dbraw/zinc/34/88/21/210348821.db2.gz QJCTYFZUUXVJIN-HDDXYUSQSA-N 0 0 398.934 5.022 50 0 GKAARN Fc1cccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c1 ZINC000020509715 210342887 /nfs/dbraw/zinc/34/28/87/210342887.db2.gz YQDFUTUHMGOKJI-IBGZPJMESA-N 0 0 379.822 5.731 50 0 GKAARN O=C1NC(=S)SC1=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000020495139 210342198 /nfs/dbraw/zinc/34/21/98/210342198.db2.gz AQUAPCRSHHONHO-NVNXTCNLSA-N 0 0 379.865 5.387 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1nc2ccccc2s1 ZINC000004134712 208536745 /nfs/dbraw/zinc/53/67/45/208536745.db2.gz KNOMVALBGGAJPL-UHFFFAOYSA-N 0 0 387.489 5.825 50 0 GKAARN CC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 ZINC000020489398 210341184 /nfs/dbraw/zinc/34/11/84/210341184.db2.gz ARHNLJNONDOLRS-CQSZACIVSA-N 0 0 384.785 5.568 50 0 GKAARN Cc1nc2c(ccc3nc(NC(=O)c4cccc(C(F)(F)F)c4)sc32)s1 ZINC000004174132 208538571 /nfs/dbraw/zinc/53/85/71/208538571.db2.gz QRXJAOBVQAQLNY-UHFFFAOYSA-N 0 0 393.415 5.486 50 0 GKAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc(Cl)sc1Cl ZINC000004173453 208539037 /nfs/dbraw/zinc/53/90/37/208539037.db2.gz QFAPOSGGBFCEMX-UHFFFAOYSA-N 0 0 381.309 5.529 50 0 GKAARN CCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1cccc(Cl)c1 ZINC000020485051 210340127 /nfs/dbraw/zinc/34/01/27/210340127.db2.gz DRGRDKVAXHSZRA-UHFFFAOYSA-N 0 0 383.904 5.013 50 0 GKAARN CCN(C(=O)c1cnc(NC(C)C)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000020458662 210337508 /nfs/dbraw/zinc/33/75/08/210337508.db2.gz FSMWWOWLPLWAIA-UHFFFAOYSA-N 0 0 385.817 5.241 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@@H]1c1cccs1 ZINC000004854580 208546338 /nfs/dbraw/zinc/54/63/38/208546338.db2.gz YNTZSYMPAFIAHT-QGZVFWFLSA-N 0 0 392.311 5.494 50 0 GKAARN C[C@@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccc(F)cc2F)=C3)C1 ZINC000020557670 210345129 /nfs/dbraw/zinc/34/51/29/210345129.db2.gz RCAHIQZNFRAGDN-SNVBAGLBSA-N 0 0 377.481 5.378 50 0 GKAARN COc1ccc(Nc2ncnc3onc(-c4cccc(Cl)c4)c32)cc1Cl ZINC000020329606 210328278 /nfs/dbraw/zinc/32/82/78/210328278.db2.gz XGEVDBOXFZPAKR-UHFFFAOYSA-N 0 0 387.226 5.344 50 0 GKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2C)cc1 ZINC000020319226 210325752 /nfs/dbraw/zinc/32/57/52/210325752.db2.gz YPLHUMQQBZXARZ-NRFANRHFSA-N 0 0 393.874 5.213 50 0 GKAARN Cc1occc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)Nc2ccc(C)cc2)s1 ZINC000020256417 210324848 /nfs/dbraw/zinc/32/48/48/210324848.db2.gz UZHYCUBTVVVKEN-GOSISDBHSA-N 0 0 394.496 5.188 50 0 GKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1F ZINC000020178157 210322750 /nfs/dbraw/zinc/32/27/50/210322750.db2.gz BGBQBILCLAYYDU-FQEVSTJZSA-N 0 0 393.849 6.039 50 0 GKAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1Br ZINC000002736804 209380462 /nfs/dbraw/zinc/38/04/62/209380462.db2.gz JTDHDQGNJBNLJM-FPYGCLRLSA-N 0 0 399.057 5.003 50 0 GKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1OC ZINC000002733786 209380553 /nfs/dbraw/zinc/38/05/53/209380553.db2.gz DEBGKMAVUXYGLO-UHFFFAOYSA-N 0 0 395.409 5.351 50 0 GKAARN CC(=O)[C@H](C(=O)c1ccc(C)cc1)[C@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000020070150 210315318 /nfs/dbraw/zinc/31/53/18/210315318.db2.gz WJRIFCQAHGRTBD-GOTSBHOMSA-N 0 0 390.866 5.974 50 0 GKAARN COc1cccc(C(=O)[C@H](C(C)=O)C2c3ccccc3Sc3ccccc32)c1 ZINC000020070183 210314966 /nfs/dbraw/zinc/31/49/66/210314966.db2.gz QPQFRZCRHSFHHE-JOCHJYFZSA-N 0 0 388.488 5.380 50 0 GKAARN COc1ccc2c(c1)[C@H]([C@H](C(C)=O)C(=O)c1ccc(C)cc1)c1ccccc1O2 ZINC000020070169 210314255 /nfs/dbraw/zinc/31/42/55/210314255.db2.gz RKOQPLPWQJRUAM-BJKOFHAPSA-N 0 0 386.447 5.329 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)cc1OC ZINC000019834249 210301293 /nfs/dbraw/zinc/30/12/93/210301293.db2.gz ZACJYNVPGLPOSQ-GBXCKJPGSA-N 0 0 392.499 5.154 50 0 GKAARN O=C(CSc1nnc(-c2cccs2)o1)c1ccc(-c2ccccc2)cc1 ZINC000019809950 210297636 /nfs/dbraw/zinc/29/76/36/210297636.db2.gz RFDXETADAUKBHU-UHFFFAOYSA-N 0 0 378.478 5.440 50 0 GKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)cc1C ZINC000019894076 210307479 /nfs/dbraw/zinc/30/74/79/210307479.db2.gz IBSXBUHTYLVLTP-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN Cc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1 ZINC000019862887 210305401 /nfs/dbraw/zinc/30/54/01/210305401.db2.gz XSLBEICKQLQLLK-UHFFFAOYSA-N 0 0 388.467 5.719 50 0 GKAARN Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000019863131 210304853 /nfs/dbraw/zinc/30/48/53/210304853.db2.gz NARKMFVNMVRPGS-UHFFFAOYSA-N 0 0 392.458 5.722 50 0 GKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000019879108 210304305 /nfs/dbraw/zinc/30/43/05/210304305.db2.gz YMBRKTZNBLUYBA-IRLDBZIGSA-N 0 0 396.824 5.861 50 0 GKAARN COc1cccc(CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 ZINC000019810158 210297036 /nfs/dbraw/zinc/29/70/36/210297036.db2.gz KLNNSVJBUDMJFR-UHFFFAOYSA-N 0 0 387.508 5.544 50 0 GKAARN CC(C)(C)c1cc([C@H](c2cccs2)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000019790509 210294794 /nfs/dbraw/zinc/29/47/94/210294794.db2.gz LSOCBNJQMCEICU-HXUWFJFHSA-N 0 0 387.589 5.470 50 0 GKAARN C[C@@H](CNc1ccc(OCCC2CCCCC2)cc1)Oc1ccccc1Cl ZINC000019738566 210292228 /nfs/dbraw/zinc/29/22/28/210292228.db2.gz IYRXYTIMCWHTDF-SFHVURJKSA-N 0 0 387.951 6.569 50 0 GKAARN C[C@H](CNc1cccc(OCCCc2ccccc2)c1)Oc1ccccc1Cl ZINC000019738511 210291124 /nfs/dbraw/zinc/29/11/24/210291124.db2.gz FZDUGAMKCRJAFA-LJQANCHMSA-N 0 0 395.930 6.231 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000006374669 208676073 /nfs/dbraw/zinc/67/60/73/208676073.db2.gz HLMFLQHMLGZCRL-JTQLQIEISA-N 0 0 399.274 5.948 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000007007522 208686966 /nfs/dbraw/zinc/68/69/66/208686966.db2.gz ZAZHOIKQLKZZII-UHFFFAOYSA-N 0 0 383.369 5.827 50 0 GKAARN COc1ccc(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000008344432 208694780 /nfs/dbraw/zinc/69/47/80/208694780.db2.gz SFNNIYCVSIJWBG-UHFFFAOYSA-N 0 0 382.847 5.192 50 0 GKAARN Cc1nc2ccccc2c(C)c1CC(=O)NCCCCOc1ccc(Cl)cc1 ZINC000011084436 208761336 /nfs/dbraw/zinc/76/13/36/208761336.db2.gz LNPMWKCKEZEPFX-UHFFFAOYSA-N 0 0 396.918 5.023 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)c2c1[C@@H](C)CC2=O ZINC000011052724 208761911 /nfs/dbraw/zinc/76/19/11/208761911.db2.gz CKYSGTKTCJWHFT-KRWDZBQOSA-N 0 0 385.463 5.369 50 0 GKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2cc(-c3ccccc3)on2)o1 ZINC000170634766 208755470 /nfs/dbraw/zinc/75/54/70/208755470.db2.gz JJNWIHPMPRWPQT-IBGZPJMESA-N 0 0 379.460 5.070 50 0 GKAARN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1csc(C(C)(C)C)n1 ZINC000170658310 208758225 /nfs/dbraw/zinc/75/82/25/208758225.db2.gz QOHULTOJBXMRRC-UHFFFAOYSA-N 0 0 385.577 5.233 50 0 GKAARN CC(C)Sc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000012070923 208768294 /nfs/dbraw/zinc/76/82/94/208768294.db2.gz FHOUYQNWQSIDKA-UHFFFAOYSA-N 0 0 396.537 5.384 50 0 GKAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccccc1I)c1ccccc1 ZINC000014429539 208789624 /nfs/dbraw/zinc/78/96/24/208789624.db2.gz HVPYSNIAZCPNFO-CXAGYDPISA-N 0 0 393.268 5.060 50 0 GKAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000013071359 208781352 /nfs/dbraw/zinc/78/13/52/208781352.db2.gz KFBXRNWCBIEGEH-KRWDZBQOSA-N 0 0 399.943 5.440 50 0 GKAARN O=C(CCC(F)(F)F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208005643 208786941 /nfs/dbraw/zinc/78/69/41/208786941.db2.gz DAFPPZQNMFDLQK-UHFFFAOYSA-N 0 0 392.406 5.230 50 0 GKAARN Brc1cnc(NCc2cccc3ccccc32)c(Br)c1 ZINC000019901291 208805365 /nfs/dbraw/zinc/80/53/65/208805365.db2.gz HZRUZLPYBPTJEM-UHFFFAOYSA-N 0 0 392.094 5.372 50 0 GKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000020836725 208818384 /nfs/dbraw/zinc/81/83/84/208818384.db2.gz VRSPEPDWWMVVNB-UHFFFAOYSA-N 0 0 385.341 5.353 50 0 GKAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(F)c1)O2 ZINC000216147599 208821879 /nfs/dbraw/zinc/82/18/79/208821879.db2.gz HWULAMYDBFJQKH-LADGPHEKSA-N 0 0 388.442 5.467 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000022016770 208830331 /nfs/dbraw/zinc/83/03/31/208830331.db2.gz VEFVPWMQHRGNID-JKSUJKDBSA-N 0 0 393.556 6.071 50 0 GKAARN CC1(C)CC(=O)C([C@@H]2C[C@H](c3ccccc3)OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000000834755 220462024 /nfs/dbraw/zinc/46/20/24/220462024.db2.gz ABRCJYCWTUTXKV-OXJNMPFZSA-N 0 0 394.511 5.609 50 0 GKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000000727766 220455055 /nfs/dbraw/zinc/45/50/55/220455055.db2.gz DYXNQZCVXRGJOE-UHFFFAOYSA-N 0 0 392.842 5.799 50 0 GKAARN CCOc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccccc3)c2C)cc1 ZINC000000862977 220461758 /nfs/dbraw/zinc/46/17/58/220461758.db2.gz VHGAKORPWCXVGA-UHFFFAOYSA-N 0 0 396.490 5.539 50 0 GKAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(C(C)(C)C)c1 ZINC000000942420 220470564 /nfs/dbraw/zinc/47/05/64/220470564.db2.gz LEZVOGUXZPTIRB-UHFFFAOYSA-N 0 0 380.513 5.434 50 0 GKAARN CC(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000000917753 220466187 /nfs/dbraw/zinc/46/61/87/220466187.db2.gz XRBFVAFENBCMJZ-UHFFFAOYSA-N 0 0 394.496 5.141 50 0 GKAARN Cc1cccc(C)c1NC(=O)CCCSCc1ccccc1C(F)(F)F ZINC000023742179 208867625 /nfs/dbraw/zinc/86/76/25/208867625.db2.gz TWYKYFFVWIGYHZ-UHFFFAOYSA-N 0 0 381.463 5.974 50 0 GKAARN COc1ccccc1OCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000001131972 220478831 /nfs/dbraw/zinc/47/88/31/220478831.db2.gz GAKHGARXCTYZHL-UHFFFAOYSA-N 0 0 396.849 5.465 50 0 GKAARN C[C@]12C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000001180793 220482057 /nfs/dbraw/zinc/48/20/57/220482057.db2.gz HCAGGONZRHMCBA-BBLPBDBVSA-N 0 0 399.877 5.127 50 0 GKAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccccc2)CC1 ZINC000001184387 220482588 /nfs/dbraw/zinc/48/25/88/220482588.db2.gz 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Cc1cc(C)c(CSc2ccccc2N)c(C)c1CSc1ccccc1N ZINC000004299636 220701963 /nfs/dbraw/zinc/70/19/63/220701963.db2.gz WBRPNYBFISDTSC-UHFFFAOYSA-N 0 0 394.609 6.361 50 0 GKAARN FC(F)(F)Oc1ccc(Nc2ncnc3cc(-c4ccccc4)sc32)cc1 ZINC000004307229 220703932 /nfs/dbraw/zinc/70/39/32/220703932.db2.gz YKTCPHBPLRFVHF-UHFFFAOYSA-N 0 0 387.386 6.001 50 0 GKAARN Cc1ccc(C2=NN=C(c3ccc(C)cc3)CC(c3ccc(Cl)cc3)=C2)cc1 ZINC000004325158 220706423 /nfs/dbraw/zinc/70/64/23/220706423.db2.gz XHVOMFUZURKKKJ-UHFFFAOYSA-N 0 0 384.910 6.638 50 0 GKAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CCC1CCCC1)CC2 ZINC000012733406 533172102 /nfs/dbraw/zinc/17/21/02/533172102.db2.gz BBAOKTCFFDLWHY-RUZDIDTESA-N 0 0 393.527 5.148 50 0 GKAARN Clc1ccc(C2=NN=C(c3ccc(Cl)cc3)CC(c3ccccc3)=C2)cc1 ZINC000004375990 220712213 /nfs/dbraw/zinc/71/22/13/220712213.db2.gz JYFFDGPPMJDYPC-UHFFFAOYSA-N 0 0 391.301 6.674 50 0 GKAARN CCCC[C@H](CC)CNC(=O)c1cc(Br)ccc1Br ZINC000004666523 220744007 /nfs/dbraw/zinc/74/40/07/220744007.db2.gz 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CSc1ncnc2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 ZINC000004661233 220742307 /nfs/dbraw/zinc/74/23/07/220742307.db2.gz DENJQRVJFBTVHI-UHFFFAOYSA-N 0 0 383.929 5.771 50 0 GKAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)cc1 ZINC000004743577 220759020 /nfs/dbraw/zinc/75/90/20/220759020.db2.gz BOIGMACIYKOYLJ-GOSISDBHSA-N 0 0 383.289 5.263 50 0 GKAARN Cc1cc2n(n1)[C@@H](c1ccc(-c3cccc(C(F)(F)F)c3)o1)Nc1ccccc1-2 ZINC000004707904 220751583 /nfs/dbraw/zinc/75/15/83/220751583.db2.gz SMARMEIHNBJKSP-NRFANRHFSA-N 0 0 395.384 6.110 50 0 GKAARN COc1ccc(CC(=O)Nc2ccc3nc(-c4cccc(Cl)c4)oc3c2)cc1 ZINC000004705036 220752029 /nfs/dbraw/zinc/75/20/29/220752029.db2.gz UTGQHGWHXVOIOQ-UHFFFAOYSA-N 0 0 392.842 5.338 50 0 GKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000004715878 220752896 /nfs/dbraw/zinc/75/28/96/220752896.db2.gz SWYZRIPMPBPWLW-SIKLNZKXSA-N 0 0 394.858 5.492 50 0 GKAARN COc1ccc([C@H](Cc2ccccc2)N(C)C(=S)Nc2ccccc2)cc1 ZINC000004710559 220753403 /nfs/dbraw/zinc/75/34/03/220753403.db2.gz GNVVZWXZSMDMGA-QFIPXVFZSA-N 0 0 376.525 5.308 50 0 GKAARN COc1cc2c(cc1NC(=O)/C=C/c1ccccc1Cl)oc1ccccc12 ZINC000004722242 220754189 /nfs/dbraw/zinc/75/41/89/220754189.db2.gz VWUONCNMCWRQSL-ZHACJKMWSA-N 0 0 377.827 5.900 50 0 GKAARN CC(C)CC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004815089 220769040 /nfs/dbraw/zinc/76/90/40/220769040.db2.gz BNWGZHAEWYMCSV-WOJBJXKFSA-N 0 0 394.906 5.045 50 0 GKAARN COc1ccc2cc3cc(C(=O)N[C@H](C)CCc4ccccc4)sc3nc2c1 ZINC000004900104 220786068 /nfs/dbraw/zinc/78/60/68/220786068.db2.gz PMNPRLPBWCATQD-OAHLLOKOSA-N 0 0 390.508 5.209 50 0 GKAARN Cc1cc(C)c(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)c(C)c1 ZINC000004961283 220799476 /nfs/dbraw/zinc/79/94/76/220799476.db2.gz FZRQQUFFICXMBO-JOCHJYFZSA-N 0 0 376.887 6.036 50 0 GKAARN c1ccc2cc(C3=NN4[C@@H](C3)c3ccccc3O[C@@H]4c3ccncc3)ccc2c1 ZINC000004906272 220787677 /nfs/dbraw/zinc/78/76/77/220787677.db2.gz GMMXTGPWIQNKIJ-UKILVPOCSA-N 0 0 377.447 5.477 50 0 GKAARN CCn1cc(CN(C(=S)Nc2c(C)cc(C)cc2C)C(C)C)c2ccccc21 ZINC000004913847 220789504 /nfs/dbraw/zinc/78/95/04/220789504.db2.gz ZSEZFAQWBXNCRB-UHFFFAOYSA-N 0 0 393.600 6.194 50 0 GKAARN Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000004930939 220793797 /nfs/dbraw/zinc/79/37/97/220793797.db2.gz CATPJESCXQJQNL-UHFFFAOYSA-N 0 0 387.386 5.041 50 0 GKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938213 220795457 /nfs/dbraw/zinc/79/54/57/220795457.db2.gz IZXLLMAKVZXFEB-UHFFFAOYSA-N 0 0 382.828 5.084 50 0 GKAARN C[C@@H](Oc1ccccc1F)c1nnc(SCc2nc3ccccc3s2)o1 ZINC000004937776 220795962 /nfs/dbraw/zinc/79/59/62/220795962.db2.gz QPBIKCNUUKXJAO-LLVKDONJSA-N 0 0 387.461 5.251 50 0 GKAARN CCc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000004970263 220803407 /nfs/dbraw/zinc/80/34/07/220803407.db2.gz GQDMEMBVJJQSHL-UHFFFAOYSA-N 0 0 379.463 5.812 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000004992440 220806096 /nfs/dbraw/zinc/80/60/96/220806096.db2.gz FKORDEPRJDMXED-UHFFFAOYSA-N 0 0 382.891 5.189 50 0 GKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)NCc3cccc(Cl)c3)sc21 ZINC000005034127 220817230 /nfs/dbraw/zinc/81/72/30/220817230.db2.gz MSJFMDUIGKROJZ-UHFFFAOYSA-N 0 0 399.878 5.024 50 0 aggregator GKAARN Clc1ccccc1-c1nnc2n1N=C(c1ccc3ccccc3c1)CS2 ZINC000005047171 220818469 /nfs/dbraw/zinc/81/84/69/220818469.db2.gz BGIIVZHMTBRZRG-UHFFFAOYSA-N 0 0 376.872 5.110 50 0 GKAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1Cl ZINC000005073960 220826177 /nfs/dbraw/zinc/82/61/77/220826177.db2.gz YYMFHWGBNARGDA-OAQYLSRUSA-N 0 0 397.305 6.358 50 0 GKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4o2)CSC3)c(C)c1 ZINC000005077867 220827046 /nfs/dbraw/zinc/82/70/46/220827046.db2.gz WDSCBGGSKRWJKX-UHFFFAOYSA-N 0 0 389.480 5.234 50 0 GKAARN CCCCCCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 ZINC000005082528 220827420 /nfs/dbraw/zinc/82/74/20/220827420.db2.gz YGVTUMYBWWZQTD-UHFFFAOYSA-N 0 0 394.519 5.237 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1cc2c(s1)-c1ccccc1SC2 ZINC000005141454 220834997 /nfs/dbraw/zinc/83/49/97/220834997.db2.gz OXZWZEFZJYXJEQ-UHFFFAOYSA-N 0 0 380.519 5.883 50 0 GKAARN CC1CCN(c2nc3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)cc3s2)CC1 ZINC000005145192 220835426 /nfs/dbraw/zinc/83/54/26/220835426.db2.gz UZPLNESIHVNODX-XYJFISCASA-N 0 0 385.577 5.087 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)c(C)c1 ZINC000005146528 220836686 /nfs/dbraw/zinc/83/66/86/220836686.db2.gz OADSAFLRQWXDHE-UHFFFAOYSA-N 0 0 395.915 5.514 50 0 GKAARN O=C(CCSc1ccc(Cl)cc1)Nc1nc2c(cccc2Cl)s1 ZINC000005191733 220842465 /nfs/dbraw/zinc/84/24/65/220842465.db2.gz KYWNNLBTKFFPAQ-UHFFFAOYSA-N 0 0 383.325 5.724 50 0 GKAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc21 ZINC000005264814 220852329 /nfs/dbraw/zinc/85/23/29/220852329.db2.gz NLGRARSBHVWJSJ-UHFFFAOYSA-N 0 0 399.928 5.562 50 0 GKAARN COc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC ZINC000005198664 220843191 /nfs/dbraw/zinc/84/31/91/220843191.db2.gz XVMLROPNFMNIHJ-UHFFFAOYSA-N 0 0 392.238 5.523 50 0 GKAARN O=c1oc2cc(OCc3ccc(Cl)cc3Cl)c(Cl)cc2c2c1CCC2 ZINC000005214138 220844721 /nfs/dbraw/zinc/84/47/21/220844721.db2.gz WDVWQJLBYDQVJC-UHFFFAOYSA-N 0 0 395.669 5.821 50 0 GKAARN CC(C)CC1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000005497646 220876356 /nfs/dbraw/zinc/87/63/56/220876356.db2.gz PVUXWNDCPLTTRY-AZUAARDMSA-N 0 0 385.305 5.689 50 0 GKAARN FC(F)(F)c1cnc(Sc2nccc(/C=C/c3ccccc3)n2)c(Cl)c1 ZINC000005515259 220877073 /nfs/dbraw/zinc/87/70/73/220877073.db2.gz GJPNNFLXDAVWPV-VOTSOKGWSA-N 0 0 393.821 5.865 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccc(C)c1 ZINC000005460842 220872532 /nfs/dbraw/zinc/87/25/32/220872532.db2.gz NXGIPJPDYQWTQK-UHFFFAOYSA-N 0 0 379.481 5.461 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000005582984 220885481 /nfs/dbraw/zinc/88/54/81/220885481.db2.gz NEVMJXBEVKHZTM-UHFFFAOYSA-N 0 0 391.106 6.767 50 0 GKAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000096024564 209007793 /nfs/dbraw/zinc/00/77/93/209007793.db2.gz 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CCc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009683276 221088900 /nfs/dbraw/zinc/08/89/00/221088900.db2.gz BDTMMWKTSPDCHU-OAQYLSRUSA-N 0 0 389.886 6.154 50 0 GKAARN Cc1c2cc(NC(=O)c3ccccc3Cl)ccc2oc1C(=O)c1ccccc1 ZINC000009659869 221089137 /nfs/dbraw/zinc/08/91/37/221089137.db2.gz FMJFPWNDMZJNRL-UHFFFAOYSA-N 0 0 389.838 5.878 50 0 GKAARN Cc1ccc(NC(=O)NCc2cccn2Cc2cc(C)ccc2C)c(Cl)c1 ZINC000009722714 221090193 /nfs/dbraw/zinc/09/01/93/221090193.db2.gz FWMOPVMCNAOPCA-UHFFFAOYSA-N 0 0 381.907 5.437 50 0 GKAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccccc1Cl ZINC000009809444 221091585 /nfs/dbraw/zinc/09/15/85/221091585.db2.gz PDCKGRCVTIRUTM-UHFFFAOYSA-N 0 0 398.944 5.551 50 0 GKAARN Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 ZINC000010156656 221098284 /nfs/dbraw/zinc/09/82/84/221098284.db2.gz PSTHIQQGNKBHHD-CQSZACIVSA-N 0 0 381.838 5.234 50 0 GKAARN Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 ZINC000010156574 221098562 /nfs/dbraw/zinc/09/85/62/221098562.db2.gz 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ZINC000011865167 221133799 /nfs/dbraw/zinc/13/37/99/221133799.db2.gz WRAMDNVPLYNIJT-UHFFFAOYSA-N 0 0 375.424 5.363 50 0 GKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2)c1 ZINC000011872894 221133989 /nfs/dbraw/zinc/13/39/89/221133989.db2.gz YCPJRCXZWVSGJB-UHFFFAOYSA-N 0 0 398.506 5.153 50 0 GKAARN CCC(=O)N(Cc1ccc(OC2CCCCCC2)c(OC)c1)Cc1ccccn1 ZINC000011880800 221134125 /nfs/dbraw/zinc/13/41/25/221134125.db2.gz LUASEYCCJIWMJK-UHFFFAOYSA-N 0 0 396.531 5.131 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000011902171 221134429 /nfs/dbraw/zinc/13/44/29/221134429.db2.gz UMIAZIYNPQPQNU-UHFFFAOYSA-N 0 0 394.456 5.064 50 0 GKAARN C[C@H](c1nnc(SCc2ccc(F)cc2)n1-c1ccccc1)N1CCCCC1 ZINC000011214864 221113180 /nfs/dbraw/zinc/11/31/80/221113180.db2.gz BNOSVZCCTDNDGK-QGZVFWFLSA-N 0 0 396.535 5.246 50 0 GKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccc(C)cc3C)c12 ZINC000011246775 221113282 /nfs/dbraw/zinc/11/32/82/221113282.db2.gz FGZDQMMPWXIWFS-UHFFFAOYSA-N 0 0 375.403 5.206 50 0 GKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000011246731 221113423 /nfs/dbraw/zinc/11/34/23/221113423.db2.gz CIBLUYXKZKRTDG-UHFFFAOYSA-N 0 0 375.403 5.206 50 0 GKAARN COc1ccc(-c2cc(CSc3nc(C)c(C)n3C3CCCC3)on2)cc1 ZINC000011395694 221114147 /nfs/dbraw/zinc/11/41/47/221114147.db2.gz DXNVIUNOYPPEKB-UHFFFAOYSA-N 0 0 383.517 5.571 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 ZINC000011689804 221121196 /nfs/dbraw/zinc/12/11/96/221121196.db2.gz XSOWEGGOOMBHIJ-UHFFFAOYSA-N 0 0 390.826 5.603 50 0 GKAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000011917487 221137472 /nfs/dbraw/zinc/13/74/72/221137472.db2.gz BGXYYCICVFXBPL-CQSZACIVSA-N 0 0 376.387 5.040 50 0 GKAARN Cc1csc([C@@H](C)N(C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)n1 ZINC000012072908 221146852 /nfs/dbraw/zinc/14/68/52/221146852.db2.gz VIMJMTOEZUWYIU-GFCCVEGCSA-N 0 0 395.450 5.627 50 0 GKAARN c1ccc(-c2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 ZINC000012138995 221157716 /nfs/dbraw/zinc/15/77/16/221157716.db2.gz XVZHPBLQSKBEIR-UHFFFAOYSA-N 0 0 394.503 5.979 50 0 GKAARN CCCCC1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000011914735 221135615 /nfs/dbraw/zinc/13/56/15/221135615.db2.gz ROJMMOTXHPRDQF-UHFFFAOYSA-N 0 0 376.500 6.430 50 0 GKAARN O=C(COc1cccc(Cl)c1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000011914740 221135640 /nfs/dbraw/zinc/13/56/40/221135640.db2.gz RKXWADNDTAJAFZ-UHFFFAOYSA-N 0 0 394.883 5.634 50 0 GKAARN Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)on2)cc1 ZINC000011914820 221135692 /nfs/dbraw/zinc/13/56/92/221135692.db2.gz XZZNUBYJHONOBQ-OAHLLOKOSA-N 0 0 384.863 5.326 50 0 GKAARN CCCCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 ZINC000011916509 221135761 /nfs/dbraw/zinc/13/57/61/221135761.db2.gz YIHJXHZNCBYUCL-UHFFFAOYSA-N 0 0 395.524 5.783 50 0 GKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(F)cc3)n2)c1 ZINC000011914528 221135802 /nfs/dbraw/zinc/13/58/02/221135802.db2.gz UTUKDHCFIIVMDL-UHFFFAOYSA-N 0 0 387.867 5.122 50 0 GKAARN Cc1cccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C ZINC000011915923 221135889 /nfs/dbraw/zinc/13/58/89/221135889.db2.gz GOUVZVXQZNAHTN-KRWDZBQOSA-N 0 0 394.540 5.087 50 0 GKAARN CSc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3C)C2)cc1 ZINC000011912237 221136127 /nfs/dbraw/zinc/13/61/27/221136127.db2.gz UTQYQNWIBIWJSH-SFHVURJKSA-N 0 0 391.540 5.127 50 0 GKAARN O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)c1ccc(Cl)cc1 ZINC000011916548 221136391 /nfs/dbraw/zinc/13/63/91/221136391.db2.gz FQVAEULDCDIPGW-UHFFFAOYSA-N 0 0 395.867 5.355 50 0 GKAARN Cc1c(C)n(Cc2cccnc2)c2nc(-c3cccc(Cl)c3)c(C)c(N)c12 ZINC000012322754 221180687 /nfs/dbraw/zinc/18/06/87/221180687.db2.gz UNHWKBXRVWEGKZ-UHFFFAOYSA-N 0 0 376.891 5.307 50 0 GKAARN CO[C@@H](c1ccc2c(c1)CN(C(=O)c1ccsc1)CCO2)C1CCCCC1 ZINC000012326358 221182545 /nfs/dbraw/zinc/18/25/45/221182545.db2.gz VYOHVAFHFRJYPC-OAQYLSRUSA-N 0 0 385.529 5.051 50 0 GKAARN CC(C)c1csc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)n1 ZINC000012195581 221165394 /nfs/dbraw/zinc/16/53/94/221165394.db2.gz IILNVTLCZBSFEO-MRXNPFEDSA-N 0 0 389.540 5.037 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012192278 221165797 /nfs/dbraw/zinc/16/57/97/221165797.db2.gz UPPGREYMGMRYQM-AOYPEHQESA-N 0 0 398.506 6.061 50 0 GKAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)CCC2 ZINC000012364900 221185623 /nfs/dbraw/zinc/18/56/23/221185623.db2.gz DNBBMHDVMLUNQA-LBPRGKRZSA-N 0 0 384.888 5.242 50 0 GKAARN CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000012196491 221166370 /nfs/dbraw/zinc/16/63/70/221166370.db2.gz QTOQMWRUPNSESH-PGRDOPGGSA-N 0 0 396.393 5.199 50 0 GKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccncc4)=NN32)c1 ZINC000012197008 221166732 /nfs/dbraw/zinc/16/67/32/221166732.db2.gz WHROFZFHIUVOQT-TZIWHRDSSA-N 0 0 396.277 5.631 50 0 GKAARN Cc1ccc(OCc2cc(C(=O)N(C)[C@@H]3CCCc4ccccc43)no2)cc1C ZINC000012208277 221167438 /nfs/dbraw/zinc/16/74/38/221167438.db2.gz QOBDOPRBGWASNL-HSZRJFAPSA-N 0 0 390.483 5.020 50 0 GKAARN CSc1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 ZINC000012431024 221192208 /nfs/dbraw/zinc/19/22/08/221192208.db2.gz AADDJWQPMVTQBM-NRFANRHFSA-N 0 0 377.557 5.378 50 0 GKAARN Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441889 221196065 /nfs/dbraw/zinc/19/60/65/221196065.db2.gz RQXWYEVTCPCFLO-UHFFFAOYSA-N 0 0 392.459 5.004 50 0 GKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)[C@@H](C)c1cccs1 ZINC000012469763 221199248 /nfs/dbraw/zinc/19/92/48/221199248.db2.gz ZNCJBTHXFAJLBG-LBPRGKRZSA-N 0 0 380.435 5.923 50 0 GKAARN Cc1ccc(-n2ccnc2S[C@H](C)C(=O)c2c[nH]c3ccccc32)c(C)c1 ZINC000012525422 221201391 /nfs/dbraw/zinc/20/13/91/221201391.db2.gz NONPORDLLKTUEA-MRXNPFEDSA-N 0 0 375.497 5.334 50 0 GKAARN Clc1ccc(/N=c2\scc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000012524000 221201882 /nfs/dbraw/zinc/20/18/82/221201882.db2.gz VQZMGBNQUAGBFD-FLFQWRMESA-N 0 0 397.330 6.745 50 0 GKAARN c1sc2ncnc(N[C@H](c3ccccc3)c3ccccn3)c2c1-c1ccccc1 ZINC000012557903 221207197 /nfs/dbraw/zinc/20/71/97/221207197.db2.gz LKBZDSIFXKGSGJ-JOCHJYFZSA-N 0 0 394.503 5.955 50 0 GKAARN FC(F)(F)c1cnc(Sc2nnc3sc4ccccc4n23)c(Cl)c1 ZINC000012557785 221207306 /nfs/dbraw/zinc/20/73/06/221207306.db2.gz YUVXWPQGJHXXKL-UHFFFAOYSA-N 0 0 386.811 5.162 50 0 GKAARN Cc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000012574255 221208088 /nfs/dbraw/zinc/20/80/88/221208088.db2.gz UYEJEISPCLHROU-LFIBNONCSA-N 0 0 397.453 5.639 50 0 GKAARN C[C@@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NCc1cccs1 ZINC000012567169 221208785 /nfs/dbraw/zinc/20/87/85/221208785.db2.gz RJGAMYGDIKCENU-CQSZACIVSA-N 0 0 394.521 5.109 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012585845 221210460 /nfs/dbraw/zinc/21/04/60/221210460.db2.gz OYDUTRHZOICSCE-NRFANRHFSA-N 0 0 378.522 5.008 50 0 GKAARN Cc1ccc(C)c(-n2cc(CN(C)[C@H](C)c3ccon3)c(-c3ccccc3)n2)c1 ZINC000012372815 221186175 /nfs/dbraw/zinc/18/61/75/221186175.db2.gz IQWDKNARKURKBI-LJQANCHMSA-N 0 0 386.499 5.337 50 0 GKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1F ZINC000012371131 221186412 /nfs/dbraw/zinc/18/64/12/221186412.db2.gz KPEQTPDGQNBEEZ-GYHWCHFESA-N 0 0 376.456 5.586 50 0 GKAARN Cc1ccccc1Nc1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 ZINC000012597272 221212339 /nfs/dbraw/zinc/21/23/39/221212339.db2.gz ZOGDUZAZFFESQX-UHFFFAOYSA-N 0 0 383.546 5.291 50 0 GKAARN C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012601143 221212888 /nfs/dbraw/zinc/21/28/88/221212888.db2.gz BHZRHXHLDJZGEH-ZDUSSCGKSA-N 0 0 399.903 5.905 50 0 GKAARN CC(=O)c1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000012649813 221216785 /nfs/dbraw/zinc/21/67/85/221216785.db2.gz NBDZAEGFHWKCPL-UHFFFAOYSA-N 0 0 386.480 5.241 50 0 GKAARN COc1cc2nc(-c3ccccc3)c(-c3ccc4ccccc4n3)cc2c(OC)c1 ZINC000012651490 221216883 /nfs/dbraw/zinc/21/68/83/221216883.db2.gz UOLKSKIGAATOQK-UHFFFAOYSA-N 0 0 392.458 6.134 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4)c3)oc2c1 ZINC000012651266 221216912 /nfs/dbraw/zinc/21/69/12/221216912.db2.gz ACSJSNKFYAGDIB-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012636945 221217402 /nfs/dbraw/zinc/21/74/02/221217402.db2.gz XEGGDJKUNGIFLB-UHFFFAOYSA-N 0 0 398.865 5.262 50 0 GKAARN CCN(CC(=O)Nc1ccccc1OC)Cc1sc2ccccc2c1Cl ZINC000012688199 221218327 /nfs/dbraw/zinc/21/83/27/221218327.db2.gz QFIMALVLDJFGOK-UHFFFAOYSA-N 0 0 388.920 5.024 50 0 GKAARN Cc1cccc(SC2CCN(C(=O)c3ccc4nc(C5CC5)oc4c3)CC2)c1 ZINC000012701767 221218399 /nfs/dbraw/zinc/21/83/99/221218399.db2.gz DGJWCWJILRSPIH-UHFFFAOYSA-N 0 0 392.524 5.411 50 0 GKAARN COc1ccc(-c2nc(CN(C)[C@@H](C)c3nc(C)cs3)c(C)o2)c(C)c1C ZINC000012710462 221219997 /nfs/dbraw/zinc/21/99/97/221219997.db2.gz YOVNWSJLJVZYRG-HNNXBMFYSA-N 0 0 385.533 5.233 50 0 GKAARN CCOc1ccc(-c2nc(CN3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000012712126 221221632 /nfs/dbraw/zinc/22/16/32/221221632.db2.gz REOIKWHIZHINMZ-JOCHJYFZSA-N 0 0 392.499 5.394 50 0 GKAARN CC[C@H](NC(=O)COc1cccc(Oc2ccccn2)c1)c1ccc(Cl)cc1 ZINC000012743292 221223355 /nfs/dbraw/zinc/22/33/55/221223355.db2.gz WMHPTYIEXRARMW-FQEVSTJZSA-N 0 0 396.874 5.174 50 0 GKAARN Cc1ccc(C)c(-n2cc(CN(C)Cc3nccs3)c(-c3ccccc3)n2)c1 ZINC000012589372 221211802 /nfs/dbraw/zinc/21/18/02/221211802.db2.gz DLOYOPDZHUSBMG-UHFFFAOYSA-N 0 0 388.540 5.245 50 0 GKAARN CCC(CC)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012747444 221224074 /nfs/dbraw/zinc/22/40/74/221224074.db2.gz WZBUWXKLSOTBOM-HXUWFJFHSA-N 0 0 396.506 5.106 50 0 GKAARN O=C(Nc1ccccc1)Nc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000012748870 221224872 /nfs/dbraw/zinc/22/48/72/221224872.db2.gz IEKLOIJJACKHTB-UHFFFAOYSA-N 0 0 399.372 5.602 50 0 GKAARN Cc1csc(N(C(=O)Cc2csc(-c3ccsc3)n2)c2ccccc2)n1 ZINC000012768602 221229021 /nfs/dbraw/zinc/22/90/21/221229021.db2.gz VPKFBFRYYLIHRQ-UHFFFAOYSA-N 0 0 397.550 5.544 50 0 GKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000012769261 221229371 /nfs/dbraw/zinc/22/93/71/221229371.db2.gz MBQDHXGTKKSUIB-KRWDZBQOSA-N 0 0 389.455 5.045 50 0 GKAARN CC(C)(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000012785573 221231402 /nfs/dbraw/zinc/23/14/02/221231402.db2.gz GVTSTRJTLRUYQH-SFHVURJKSA-N 0 0 389.421 5.224 50 0 GKAARN CCN(CC)C(=O)c1c(C)nc2sc3c(c2c1-c1ccco1)CC[C@H](C)C3 ZINC000012793601 221232501 /nfs/dbraw/zinc/23/25/01/221232501.db2.gz FCMILWGVYWIEMH-ZDUSSCGKSA-N 0 0 382.529 5.472 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)CCSc2ccc(C)cc2)cc1 ZINC000012811109 221234625 /nfs/dbraw/zinc/23/46/25/221234625.db2.gz RENCFZUZBUYZEX-KRWDZBQOSA-N 0 0 385.529 5.173 50 0 GKAARN O=C(CCCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1cccs1 ZINC000012869023 221240219 /nfs/dbraw/zinc/24/02/19/221240219.db2.gz MCOKTXAPZGVYAW-NRFANRHFSA-N 0 0 389.520 5.275 50 0 GKAARN CCCCCn1nc(C(=O)Nc2ccc([C@H](C)CC)cc2)c2ccccc2c1=O ZINC000012923910 221247517 /nfs/dbraw/zinc/24/75/17/221247517.db2.gz FGYSZUPMIOZVCY-QGZVFWFLSA-N 0 0 391.515 5.353 50 0 GKAARN c1csc([C@H](NCc2nc3ccccc3s2)c2ccc3c(c2)CCC3)c1 ZINC000012936810 221248141 /nfs/dbraw/zinc/24/81/41/221248141.db2.gz QOXYQXAWTHUAPQ-JOCHJYFZSA-N 0 0 376.550 5.726 50 0 GKAARN COc1ccc(CN(C(=O)/C=C/c2ccco2)[C@H](C)Cc2cccs2)cc1 ZINC000012945886 221249254 /nfs/dbraw/zinc/24/92/54/221249254.db2.gz MNCSBTMBVJNFBJ-FMQWLBJXSA-N 0 0 381.497 5.023 50 0 GKAARN COc1ccc(-c2cn(C(=O)c3ccccc3C)nc2-c2ccc(OC)cc2)cc1 ZINC000012955507 221250161 /nfs/dbraw/zinc/25/01/61/221250161.db2.gz HYLHQSJNADGFIJ-UHFFFAOYSA-N 0 0 398.462 5.231 50 0 GKAARN O=C(Nc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1)c1ccco1 ZINC000012975467 221251390 /nfs/dbraw/zinc/25/13/90/221251390.db2.gz KDOGSQIGBGHZAA-UHFFFAOYSA-N 0 0 398.418 5.577 50 0 GKAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1csc(-c2ccccc2)n1 ZINC000012987085 221253120 /nfs/dbraw/zinc/25/31/20/221253120.db2.gz HXYLQBJNCAMOIP-UHFFFAOYSA-N 0 0 377.296 5.389 50 0 GKAARN COc1ccc(-c2nc(/C=C/C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cs2)cc1 ZINC000012988142 221253489 /nfs/dbraw/zinc/25/34/89/221253489.db2.gz QTAXTQIXQWSWKB-SLZUCMDTSA-N 0 0 382.529 5.013 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)cc1C ZINC000012995317 221254458 /nfs/dbraw/zinc/25/44/58/221254458.db2.gz RSAMPAVXTSQSRV-INIZCTEOSA-N 0 0 382.891 5.422 50 0 GKAARN Cc1cc(F)ccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000013002206 221255035 /nfs/dbraw/zinc/25/50/35/221255035.db2.gz MXNFESFYJNZQJI-UHFFFAOYSA-N 0 0 390.867 5.004 50 0 GKAARN O=C(Nc1cccc(Cl)c1Cl)c1cccc(OCc2cscn2)c1 ZINC000012998877 221255525 /nfs/dbraw/zinc/25/55/25/221255525.db2.gz QKLBRUMFLBUGRX-UHFFFAOYSA-N 0 0 379.268 5.281 50 0 GKAARN CCCc1ccc([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013320529 221265250 /nfs/dbraw/zinc/26/52/50/221265250.db2.gz XPLXMAYDLWJOCU-GFCCVEGCSA-N 0 0 384.829 6.194 50 0 GKAARN C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000013329903 221265368 /nfs/dbraw/zinc/26/53/68/221265368.db2.gz CXMGLVPBPVPVRY-SECBINFHSA-N 0 0 388.092 5.639 50 0 GKAARN CCCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013284506 221265563 /nfs/dbraw/zinc/26/55/63/221265563.db2.gz XUVAQSKPMUEVJS-UHFFFAOYSA-N 0 0 377.538 5.897 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000013346756 221265747 /nfs/dbraw/zinc/26/57/47/221265747.db2.gz LHEUHGKRXHWCKT-UHFFFAOYSA-N 0 0 398.484 5.212 50 0 GKAARN CSc1ccc(CNC(=O)C2=Cc3cc(-c4ccccc4)ccc3OC2)cc1 ZINC000013353196 221265757 /nfs/dbraw/zinc/26/57/57/221265757.db2.gz JYUGLCWRZMYGRS-UHFFFAOYSA-N 0 0 387.504 5.168 50 0 GKAARN CCCC(=O)Nc1ccc(C2(C(=O)NCC3CCCCC3)CCCCC2)cc1 ZINC000013350448 221265787 /nfs/dbraw/zinc/26/57/87/221265787.db2.gz RWJUSYSOIIEGSD-UHFFFAOYSA-N 0 0 384.564 5.324 50 0 GKAARN O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1cccs1 ZINC000013350048 221265800 /nfs/dbraw/zinc/26/58/00/221265800.db2.gz VIZJCJYYAMTPMK-UHFFFAOYSA-N 0 0 393.493 5.343 50 0 GKAARN Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2cc(F)ccc2F)CO3)cc1 ZINC000013353150 221265991 /nfs/dbraw/zinc/26/59/91/221265991.db2.gz QJUUEUNVZJSFSA-UHFFFAOYSA-N 0 0 377.390 5.355 50 0 GKAARN COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013368902 221266398 /nfs/dbraw/zinc/26/63/98/221266398.db2.gz GJFDXGWZOARHOX-UHFFFAOYSA-N 0 0 391.858 5.004 50 0 GKAARN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369350 221266461 /nfs/dbraw/zinc/26/64/61/221266461.db2.gz JYZIECIGLKAAAL-IXDOHACOSA-N 0 0 395.934 5.422 50 0 GKAARN COc1cccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000013365737 221266474 /nfs/dbraw/zinc/26/64/74/221266474.db2.gz MFFKEHPWZWDPEX-UHFFFAOYSA-N 0 0 386.411 5.056 50 0 GKAARN Fc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364349 221266511 /nfs/dbraw/zinc/26/65/11/221266511.db2.gz DLGSUDQPAALTNX-IBGZPJMESA-N 0 0 379.822 5.731 50 0 GKAARN C[C@@H](NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccccc1 ZINC000013368955 221266745 /nfs/dbraw/zinc/26/67/45/221266745.db2.gz QLPOOTMVYPEKCP-MRXNPFEDSA-N 0 0 389.886 5.234 50 0 GKAARN Cc1ccccc1N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000013041087 221259009 /nfs/dbraw/zinc/25/90/09/221259009.db2.gz DUMXGMWFVQQIOO-UHFFFAOYSA-N 0 0 383.948 5.094 50 0 GKAARN COc1cc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1OCC(C)C ZINC000013040659 221259124 /nfs/dbraw/zinc/25/91/24/221259124.db2.gz QVIMSXSDASNALB-VSNRRYGASA-N 0 0 379.928 5.092 50 0 GKAARN CCc1ccccc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000013041322 221259201 /nfs/dbraw/zinc/25/92/01/221259201.db2.gz DHOPXHOJHKFDNB-UHFFFAOYSA-N 0 0 375.896 5.588 50 0 GKAARN CC(C)c1ccc(-c2nc(COC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)cs2)cc1 ZINC000013076204 221260347 /nfs/dbraw/zinc/26/03/47/221260347.db2.gz TUFABFVNSGGIDC-DFNIBXOVSA-N 0 0 397.540 5.372 50 0 GKAARN Brc1ccc(OCc2ccccc2)c(-c2nc3ccccc3[nH]2)c1 ZINC000013230182 221264400 /nfs/dbraw/zinc/26/44/00/221264400.db2.gz QQLDYVZWIRVTKD-UHFFFAOYSA-N 0 0 379.257 5.571 50 0 GKAARN Cc1ccc(NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)cc1Cl ZINC000013329417 221264841 /nfs/dbraw/zinc/26/48/41/221264841.db2.gz GRDLHWMELYHWRF-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN Cc1cccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1 ZINC000013610245 221277089 /nfs/dbraw/zinc/27/70/89/221277089.db2.gz NJMLDXPHUMBOFJ-UHFFFAOYSA-N 0 0 387.487 5.086 50 0 GKAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)[C@@H]1C ZINC000013369026 221267204 /nfs/dbraw/zinc/26/72/04/221267204.db2.gz XPYKCXOZACIRKW-JXXFODFXSA-N 0 0 395.934 5.298 50 0 GKAARN Fc1ccc([C@H](Nc2ccccc2)c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000013364341 221267272 /nfs/dbraw/zinc/26/72/72/221267272.db2.gz SINRGORFZHZRJI-IBGZPJMESA-N 0 0 379.822 5.731 50 0 GKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000013381998 221267976 /nfs/dbraw/zinc/26/79/76/221267976.db2.gz HSUBMQNOTXTJKH-IFMALSPDSA-N 0 0 378.834 5.721 50 0 GKAARN CCCC(=O)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369835 221268403 /nfs/dbraw/zinc/26/84/03/221268403.db2.gz WLYQBVZBEPQZCY-UXHICEINSA-N 0 0 392.547 5.310 50 0 biogenic GKAARN CC(C)(C)c1cs/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000013463957 221268697 /nfs/dbraw/zinc/26/86/97/221268697.db2.gz UZMYCPUPUXYVFQ-PYCFMQQDSA-N 0 0 377.340 6.376 50 0 GKAARN CC(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000013512565 221270817 /nfs/dbraw/zinc/27/08/17/221270817.db2.gz VVJSLVUHYDZGOS-NFBKMPQASA-N 0 0 392.886 6.299 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(C(C)C)cc2)sc2c1CCC2 ZINC000013532397 221271805 /nfs/dbraw/zinc/27/18/05/221271805.db2.gz IAXARBRITJAJJX-RAXLEYEMSA-N 0 0 383.513 5.189 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=S)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000013523965 221271992 /nfs/dbraw/zinc/27/19/92/221271992.db2.gz FAVNEIQETLCCMJ-KRWDZBQOSA-N 0 0 390.936 5.200 50 0 GKAARN CCCn1c2ccccc2nc1[C@H](O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013774777 221288104 /nfs/dbraw/zinc/28/81/04/221288104.db2.gz PMRVMIVVJJRYAL-OAQYLSRUSA-N 0 0 394.559 5.829 50 0 GKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)(C)C)cc1C ZINC000013777193 221288194 /nfs/dbraw/zinc/28/81/94/221288194.db2.gz YSCOZJUQJLSDJF-UHFFFAOYSA-N 0 0 376.500 5.033 50 0 GKAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(C(C)C)cc1)O2 ZINC000013800944 221289164 /nfs/dbraw/zinc/28/91/64/221289164.db2.gz AKWROQDNNUAPQC-RSXGOPAZSA-N 0 0 398.506 6.061 50 0 GKAARN Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)oc2c1C(=O)CC(C)(C)C2 ZINC000013655314 221279712 /nfs/dbraw/zinc/27/97/12/221279712.db2.gz HKEUTOAUTQYMAC-UHFFFAOYSA-N 0 0 387.479 5.263 50 0 GKAARN Cc1cccc(OCCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000013843295 221291657 /nfs/dbraw/zinc/29/16/57/221291657.db2.gz MLOIIBBMOQSLJG-UHFFFAOYSA-N 0 0 399.450 5.120 50 0 GKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3c(F)cccc3Cl)n2)cc1 ZINC000013960764 221293993 /nfs/dbraw/zinc/29/39/93/221293993.db2.gz FSBGEOSHZPTLCW-UHFFFAOYSA-N 0 0 398.815 6.336 50 0 GKAARN CCCCn1nc(C)c2c1nc(C13CC4CC(CC(C4)C1)C3)cc2C(F)(F)F ZINC000013961161 221294184 /nfs/dbraw/zinc/29/41/84/221294184.db2.gz WPEDQSRXXSTAOT-UHFFFAOYSA-N 0 0 391.481 6.026 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)oc2c1 ZINC000013946173 221294801 /nfs/dbraw/zinc/29/48/01/221294801.db2.gz HWKOEYNRIOGLOA-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN CC(=O)N[C@H](CC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1cccs1 ZINC000014071790 221297342 /nfs/dbraw/zinc/29/73/42/221297342.db2.gz HTGBTONUUHAPRN-LJQANCHMSA-N 0 0 394.496 5.055 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc21 ZINC000014077414 221299137 /nfs/dbraw/zinc/29/91/37/221299137.db2.gz IBKSFXQOCAYOCP-UHFFFAOYSA-N 0 0 386.451 5.114 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(Cl)cc2)c1 ZINC000014141445 221301277 /nfs/dbraw/zinc/30/12/77/221301277.db2.gz HKWIBHQYNBIZGN-UHFFFAOYSA-N 0 0 382.872 5.341 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(OCc2ccccc2)cc1 ZINC000014181793 221302244 /nfs/dbraw/zinc/30/22/44/221302244.db2.gz DTAQCKCZYMCKCX-UHFFFAOYSA-N 0 0 398.462 5.492 50 0 GKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Oc3ccccc3)c2)cc1 ZINC000014200731 221304136 /nfs/dbraw/zinc/30/41/36/221304136.db2.gz SCWQYHLSBKISRZ-QGZVFWFLSA-N 0 0 375.424 5.088 50 0 GKAARN O=C(c1cc(Cl)ccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 ZINC000014234714 221306013 /nfs/dbraw/zinc/30/60/13/221306013.db2.gz NGWHZYLSOVRLSL-UHFFFAOYSA-N 0 0 375.255 5.154 50 0 GKAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000014492163 221310866 /nfs/dbraw/zinc/31/08/66/221310866.db2.gz SQGOZFGEBJDPTG-UHFFFAOYSA-N 0 0 399.425 5.252 50 0 GKAARN CC[C@H](C)[C@H](C(=O)Nc1ccccc1I)c1ccccc1 ZINC000014429542 221310880 /nfs/dbraw/zinc/31/08/80/221310880.db2.gz HVPYSNIAZCPNFO-GUYCJALGSA-N 0 0 393.268 5.060 50 0 GKAARN CC[C@H](C)[C@@H](C(=O)Nc1ccccc1I)c1ccccc1 ZINC000014429540 221311212 /nfs/dbraw/zinc/31/12/12/221311212.db2.gz HVPYSNIAZCPNFO-SUMWQHHRSA-N 0 0 393.268 5.060 50 0 GKAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccccc2)cc1 ZINC000014609527 221313290 /nfs/dbraw/zinc/31/32/90/221313290.db2.gz QNPZVBDYGDMMOH-UHFFFAOYSA-N 0 0 382.467 5.112 50 0 GKAARN Cc1nn(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c(C)c1CCC(C)C ZINC000014608907 221313469 /nfs/dbraw/zinc/31/34/69/221313469.db2.gz HXLLRLCYKSOPJN-UHFFFAOYSA-N 0 0 382.533 5.095 50 0 GKAARN CCN(C(=O)c1sccc1-c1ccc(C)cc1)c1nc2ccccc2s1 ZINC000014635583 221313695 /nfs/dbraw/zinc/31/36/95/221313695.db2.gz LDPYEBPCRPGFFQ-UHFFFAOYSA-N 0 0 378.522 6.000 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(OCc2cscn2)cc1 ZINC000014705358 221314116 /nfs/dbraw/zinc/31/41/16/221314116.db2.gz ZLSFDAREXCUGFU-UHFFFAOYSA-N 0 0 393.493 5.098 50 0 GKAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(F)c2F)n1 ZINC000014981308 221323414 /nfs/dbraw/zinc/32/34/14/221323414.db2.gz HWWAJPFBUCRRLP-XMMPIXPASA-N 0 0 389.449 5.297 50 0 GKAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1ccccc1OC(F)F ZINC000014711060 221314256 /nfs/dbraw/zinc/31/42/56/221314256.db2.gz JGRVTZZFUCHDEG-UHFFFAOYSA-N 0 0 385.395 5.145 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1nc(Cl)ccc1Cl ZINC000014698740 221314303 /nfs/dbraw/zinc/31/43/03/221314303.db2.gz BBFSHCMTCRZDML-UHFFFAOYSA-N 0 0 384.675 5.418 50 0 GKAARN O=C(C1CCCCC1)N(Cc1cccc(OCc2ccccc2F)c1)C1CC1 ZINC000014878753 221317611 /nfs/dbraw/zinc/31/76/11/221317611.db2.gz LKCRDQLFDUAMCH-UHFFFAOYSA-N 0 0 381.491 5.476 50 0 GKAARN Cc1ccc(Oc2ccccc2NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000014899774 221318597 /nfs/dbraw/zinc/31/85/97/221318597.db2.gz KWBKTXMVVALSEP-UHFFFAOYSA-N 0 0 383.451 5.154 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014898889 221318718 /nfs/dbraw/zinc/31/87/18/221318718.db2.gz MOORKLOGBQHUTM-UHFFFAOYSA-N 0 0 394.780 5.503 50 0 GKAARN CC(=O)Nc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2C(C)(C)C)cc1 ZINC000015074225 221332062 /nfs/dbraw/zinc/33/20/62/221332062.db2.gz ZXRXZGRSZBBFGN-HSZRJFAPSA-N 0 0 375.516 5.272 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000015106605 221332548 /nfs/dbraw/zinc/33/25/48/221332548.db2.gz UXVBHNNTFNWAGD-INIZCTEOSA-N 0 0 396.899 5.436 50 0 GKAARN Cc1cc(=O)oc2cc(Oc3nc(-c4cccs4)nc4ccccc43)ccc12 ZINC000015208276 221333807 /nfs/dbraw/zinc/33/38/07/221333807.db2.gz YRRGIJRSNUGSFU-UHFFFAOYSA-N 0 0 386.432 5.565 50 0 GKAARN CC(=O)N(c1nc(/C=C/c2ccc3ccccc3n2)cs1)c1c(C)cccc1C ZINC000015187904 221334256 /nfs/dbraw/zinc/33/42/56/221334256.db2.gz VSEPRLMVQYQNAI-BUHFOSPRSA-N 0 0 399.519 6.163 50 0 GKAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)c(C)c1 ZINC000015361452 221335140 /nfs/dbraw/zinc/33/51/40/221335140.db2.gz ADAUCTUCFJFZBQ-GFCCVEGCSA-N 0 0 382.685 5.125 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(F)c(F)c1F ZINC000015003001 221326616 /nfs/dbraw/zinc/32/66/16/221326616.db2.gz KCJJRKCNAXAWFS-UHFFFAOYSA-N 0 0 384.716 5.112 50 0 GKAARN CCc1ccc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)nc1 ZINC000015067592 221330103 /nfs/dbraw/zinc/33/01/03/221330103.db2.gz SHUBXRIYCMNKDW-UHFFFAOYSA-N 0 0 377.488 5.105 50 0 GKAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)Oc1ccc(F)cc1 ZINC000015553988 221337575 /nfs/dbraw/zinc/33/75/75/221337575.db2.gz CZGLPDKXGPUGFT-UHFFFAOYSA-N 0 0 395.380 5.790 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1cccc(Cl)c1 ZINC000015681383 221339909 /nfs/dbraw/zinc/33/99/09/221339909.db2.gz NVDRCPSDLXIWNA-UHFFFAOYSA-N 0 0 390.874 5.186 50 0 GKAARN O=C(CSc1ccccc1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000015730175 221342106 /nfs/dbraw/zinc/34/21/06/221342106.db2.gz CWYFGAZHGSLNSI-UHFFFAOYSA-N 0 0 376.456 5.705 50 0 GKAARN Cc1ccccc1C(=O)Nc1cc(-c2ccccc2Cl)nn1-c1ccccc1 ZINC000015821115 221345648 /nfs/dbraw/zinc/34/56/48/221345648.db2.gz UVVNXZSNSIETLX-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000015830310 221346683 /nfs/dbraw/zinc/34/66/83/221346683.db2.gz DMJNYDKFFKCKDK-IBGZPJMESA-N 0 0 383.904 5.469 50 0 GKAARN Cc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CCc3ccccc3)n2)cc1 ZINC000015838140 221346767 /nfs/dbraw/zinc/34/67/67/221346767.db2.gz RHCCVBSQOMLASC-UHFFFAOYSA-N 0 0 393.490 5.690 50 0 GKAARN Cc1ccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000015835547 221346983 /nfs/dbraw/zinc/34/69/83/221346983.db2.gz OSGNCGZRSJIKDP-HSZRJFAPSA-N 0 0 390.508 5.165 50 0 GKAARN Cc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)c3ccccc3F)n2)cc1 ZINC000015838145 221347033 /nfs/dbraw/zinc/34/70/33/221347033.db2.gz YMTFODNUVGGYCX-UHFFFAOYSA-N 0 0 383.426 5.510 50 0 GKAARN CC(C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000015838212 221347197 /nfs/dbraw/zinc/34/71/97/221347197.db2.gz MIGMXNGULICLCN-UHFFFAOYSA-N 0 0 386.282 5.712 50 0 GKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832110 221347231 /nfs/dbraw/zinc/34/72/31/221347231.db2.gz LUISBMUQPGDJOX-UHFFFAOYSA-N 0 0 388.467 5.519 50 0 GKAARN Cc1ccc(-c2c3nc(C)cc(N4CCC(C)CC4)n3nc2C(F)(F)F)cc1 ZINC000015840022 221347475 /nfs/dbraw/zinc/34/74/75/221347475.db2.gz JSORZKCQQSCSNY-UHFFFAOYSA-N 0 0 388.437 5.268 50 0 GKAARN Cc1c(C)n(-c2ccc(C)c(C)c2)c2ncn3nc(-c4cccc(C)c4)nc3c12 ZINC000015842344 221347833 /nfs/dbraw/zinc/34/78/33/221347833.db2.gz VQXRPLQXLRTZSL-UHFFFAOYSA-N 0 0 381.483 5.277 50 0 GKAARN CCCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c2cccnc12 ZINC000015840975 221347847 /nfs/dbraw/zinc/34/78/47/221347847.db2.gz QBSKGGGWGJZTLX-QGZVFWFLSA-N 0 0 378.472 5.046 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccnc12 ZINC000015841129 221347894 /nfs/dbraw/zinc/34/78/94/221347894.db2.gz OBKVCRKJMJTMLA-HNNXBMFYSA-N 0 0 398.890 5.473 50 0 GKAARN Cc1c(C)n(-c2ccccc2C)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000015842217 221347967 /nfs/dbraw/zinc/34/79/67/221347967.db2.gz NVQTYTWPBYPWMC-UHFFFAOYSA-N 0 0 387.874 5.314 50 0 GKAARN CCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000015840983 221348184 /nfs/dbraw/zinc/34/81/84/221348184.db2.gz RUQNNBOETRSWFU-UHFFFAOYSA-N 0 0 392.499 5.339 50 0 GKAARN CC1CCC(CC2CCN(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000015861552 221348901 /nfs/dbraw/zinc/34/89/01/221348901.db2.gz HVSPWJMBFAASTF-UHFFFAOYSA-N 0 0 393.369 5.909 50 0 GKAARN Cc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N(C)C)o1 ZINC000015860351 221349115 /nfs/dbraw/zinc/34/91/15/221349115.db2.gz VSDSCZMICRMFEN-ZDUSSCGKSA-N 0 0 397.327 5.142 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015863775 221349709 /nfs/dbraw/zinc/34/97/09/221349709.db2.gz GMSBJPCGZIPNDF-UHFFFAOYSA-N 0 0 393.512 5.376 50 0 GKAARN Cc1ccc(-c2ccc(CCC(=O)Nc3cccc(Br)c3)o2)cc1 ZINC000015867367 221349950 /nfs/dbraw/zinc/34/99/50/221349950.db2.gz SHZGOXNDJJXSDT-UHFFFAOYSA-N 0 0 384.273 5.589 50 0 GKAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000015866814 221350424 /nfs/dbraw/zinc/35/04/24/221350424.db2.gz ZFMQLCGRVUKKPK-FQEVSTJZSA-N 0 0 391.602 5.561 50 0 GKAARN Cc1ccc2oc(SCC(=O)N(C3CCCCC3)C3CCCCC3)nc2n1 ZINC000015867850 221350455 /nfs/dbraw/zinc/35/04/55/221350455.db2.gz ZEELNPVRYQFCRG-UHFFFAOYSA-N 0 0 387.549 5.117 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(-c3ccc4ccccc4n3)cc2)cc1OC ZINC000015868500 221351256 /nfs/dbraw/zinc/35/12/56/221351256.db2.gz VGAXWYUDTILOID-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)C(C)(C)C ZINC000016347323 221360257 /nfs/dbraw/zinc/36/02/57/221360257.db2.gz CBKHUGRBOCRUHM-UHFFFAOYSA-N 0 0 377.271 6.095 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000016361707 221360261 /nfs/dbraw/zinc/36/02/61/221360261.db2.gz CJNCTEPIGWSYPC-LJQANCHMSA-N 0 0 375.516 5.364 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000016362370 221360326 /nfs/dbraw/zinc/36/03/26/221360326.db2.gz ZRQVWDGDGIMWPS-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1ccc2oc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)nc2c1 ZINC000016348387 221360840 /nfs/dbraw/zinc/36/08/40/221360840.db2.gz HFJDJVAGKLEWKF-UHFFFAOYSA-N 0 0 398.249 5.757 50 0 GKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 ZINC000016348413 221360977 /nfs/dbraw/zinc/36/09/77/221360977.db2.gz HHGDRHWJEWGMDV-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c(Cl)c1 ZINC000016469261 221363119 /nfs/dbraw/zinc/36/31/19/221363119.db2.gz OXDQYPZPHPJAAJ-UHFFFAOYSA-N 0 0 381.888 5.206 50 0 GKAARN CSc1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)cc1 ZINC000016667720 221367841 /nfs/dbraw/zinc/36/78/41/221367841.db2.gz LMZJCYAFQLWTAO-UHFFFAOYSA-N 0 0 392.527 7.286 50 0 GKAARN Cc1ccccc1CSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000015974896 221353504 /nfs/dbraw/zinc/35/35/04/221353504.db2.gz MDMGUQBBARNRFH-MRXNPFEDSA-N 0 0 391.537 5.282 50 0 GKAARN O=C(Nc1ccccc1)c1ccccc1CSc1nc2ccccc2s1 ZINC000016027145 221354707 /nfs/dbraw/zinc/35/47/07/221354707.db2.gz NQVTXFFUHCKAKG-UHFFFAOYSA-N 0 0 376.506 5.841 50 0 GKAARN O=C(COc1c(Cl)cccc1Cl)Nc1ccc(SC(F)F)cc1 ZINC000016018804 221354975 /nfs/dbraw/zinc/35/49/75/221354975.db2.gz HYPQNPQBEDJJPY-UHFFFAOYSA-N 0 0 378.227 5.326 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1ccccc1CSc1nc2ccccc2o1 ZINC000016032030 221356041 /nfs/dbraw/zinc/35/60/41/221356041.db2.gz QVQYKKPCSPHXGT-UHFFFAOYSA-N 0 0 378.428 5.512 50 0 GKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000016035345 221356393 /nfs/dbraw/zinc/35/63/93/221356393.db2.gz XHCWXKRYZACRFO-LZNRXBQRSA-N 0 0 399.531 5.038 50 0 GKAARN Cc1ccccc1Nc1nc(N2CCC(C)CC2)nc2c1cnn2-c1ccccc1 ZINC000017136004 221380024 /nfs/dbraw/zinc/38/00/24/221380024.db2.gz IPQFSHAOAAVUKM-UHFFFAOYSA-N 0 0 398.514 5.104 50 0 GKAARN Cc1c(C(=O)Nc2cccc(C)c2C)sc2nc(-c3ccc(F)cc3)cn12 ZINC000017135676 221380184 /nfs/dbraw/zinc/38/01/84/221380184.db2.gz OHONEFKUOWLWNM-UHFFFAOYSA-N 0 0 379.460 5.379 50 0 GKAARN Clc1cccc(Cl)c1Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000017191978 221381055 /nfs/dbraw/zinc/38/10/55/221381055.db2.gz SEVVTEVRVLVAQW-UHFFFAOYSA-N 0 0 397.330 7.528 50 0 GKAARN CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000017307886 221382649 /nfs/dbraw/zinc/38/26/49/221382649.db2.gz QCQLSCVTQVJOSM-UHFFFAOYSA-N 0 0 382.485 5.088 50 0 GKAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(F)c(F)cc1Cl ZINC000017369692 221384218 /nfs/dbraw/zinc/38/42/18/221384218.db2.gz UGZWGUISXRXQAJ-QGZVFWFLSA-N 0 0 381.806 5.338 50 0 GKAARN Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000017360338 221384254 /nfs/dbraw/zinc/38/42/54/221384254.db2.gz HPBWTTVTWHQOBC-UHFFFAOYSA-N 0 0 389.480 5.270 50 0 GKAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000016750221 221370221 /nfs/dbraw/zinc/37/02/21/221370221.db2.gz IUFUTESDPWOYMQ-UHFFFAOYSA-N 0 0 396.221 5.167 50 0 GKAARN COc1ccc(C)cc1NC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 ZINC000016850366 221373606 /nfs/dbraw/zinc/37/36/06/221373606.db2.gz KUFZPABLBSRFEO-UHFFFAOYSA-N 0 0 387.892 5.038 50 0 GKAARN CC(CNC(=O)c1ccccc1C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000016966879 221374569 /nfs/dbraw/zinc/37/45/69/221374569.db2.gz FIAUGLQEFALHAA-UHFFFAOYSA-N 0 0 383.413 5.441 50 0 GKAARN CCc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)cc1 ZINC000016995939 221375398 /nfs/dbraw/zinc/37/53/98/221375398.db2.gz QJXYKBNFWYSDII-HSZRJFAPSA-N 0 0 379.467 5.555 50 0 GKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccc(C)cc2)nn1 ZINC000017041790 221376636 /nfs/dbraw/zinc/37/66/36/221376636.db2.gz QJWYQGXWUVWZEP-UHFFFAOYSA-N 0 0 395.578 6.238 50 0 GKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccco4)cc3)n2)cc1 ZINC000017042823 221376653 /nfs/dbraw/zinc/37/66/53/221376653.db2.gz NVPJBUBPBZHUDL-UHFFFAOYSA-N 0 0 399.454 5.426 50 0 GKAARN CC[C@@H](c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000017044902 221376786 /nfs/dbraw/zinc/37/67/86/221376786.db2.gz MDLWPINEKMIKFD-CYBMUJFWSA-N 0 0 392.311 5.639 50 0 GKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)C1 ZINC000017077664 221377212 /nfs/dbraw/zinc/37/72/12/221377212.db2.gz ILZDUUXMEGHOKV-GASCZTMLSA-N 0 0 379.891 5.068 50 0 GKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1Cl ZINC000017077867 221377228 /nfs/dbraw/zinc/37/72/28/221377228.db2.gz UVCSHKAPUPRMMQ-UHFFFAOYSA-N 0 0 380.825 6.446 50 0 GKAARN CCc1c(C)scc1-c1nnc(-c2cc(Br)ccc2Cl)o1 ZINC000017078382 221377505 /nfs/dbraw/zinc/37/75/05/221377505.db2.gz CJAAUCRLRXIXOR-UHFFFAOYSA-N 0 0 383.698 5.752 50 0 GKAARN Cc1cccc(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)c1 ZINC000017079028 221377661 /nfs/dbraw/zinc/37/76/61/221377661.db2.gz DOWXBMDQTHZJSJ-UHFFFAOYSA-N 0 0 386.926 6.844 50 0 GKAARN CC(C)c1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCCCCC4)cc1 ZINC000017078610 221377664 /nfs/dbraw/zinc/37/76/64/221377664.db2.gz DQHNSRXEPOPJQK-UHFFFAOYSA-N 0 0 384.570 5.892 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)cc1 ZINC000017080879 221378337 /nfs/dbraw/zinc/37/83/37/221378337.db2.gz DPBOHQSQHAQXQG-QGZVFWFLSA-N 0 0 395.506 6.371 50 0 GKAARN O=C(Nc1ccc(Nc2ccc(Cl)nn2)cc1)Nc1cccc2ccccc21 ZINC000017079556 221378589 /nfs/dbraw/zinc/37/85/89/221378589.db2.gz CYDNMJZDOPIZPP-UHFFFAOYSA-N 0 0 389.846 5.671 50 0 GKAARN Cc1cccc(-c2cc(C(=O)NC3=NCCS3)c3ccc(Cl)c(C)c3n2)c1 ZINC000017080942 221378596 /nfs/dbraw/zinc/37/85/96/221378596.db2.gz OOJQASFKDJFVPQ-UHFFFAOYSA-N 0 0 395.915 5.005 50 0 GKAARN Cc1scc(C2N=NC(=S)N2Cc2ccc(Cl)cc2)c1-c1ccccc1 ZINC000017081405 221378650 /nfs/dbraw/zinc/37/86/50/221378650.db2.gz UTJLPJQHAGPNII-UHFFFAOYSA-N 0 0 397.956 5.972 50 0 GKAARN CC[C@@H](C)c1ccc([C@@H](CC)NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000017080784 221378691 /nfs/dbraw/zinc/37/86/91/221378691.db2.gz QJGBINMOIXLARL-CXAGYDPISA-N 0 0 395.399 6.945 50 0 GKAARN CCCCOc1ccc(-c2cc(C3N=NC(=S)N3C)c3ccccc3n2)cc1 ZINC000017079749 221378745 /nfs/dbraw/zinc/37/87/45/221378745.db2.gz HDIALTWRNLRPMZ-UHFFFAOYSA-N 0 0 390.512 5.165 50 0 GKAARN C=Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)cc1 ZINC000017081634 221378833 /nfs/dbraw/zinc/37/88/33/221378833.db2.gz KNHODSXGYBTOGZ-UHFFFAOYSA-N 0 0 398.937 7.179 50 0 GKAARN Cc1c(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2oc1-c1ccccc1 ZINC000017797003 221385358 /nfs/dbraw/zinc/38/53/58/221385358.db2.gz IIKXAMSLGGHBPM-UHFFFAOYSA-N 0 0 389.476 5.102 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)n2)cc1 ZINC000017967187 221386198 /nfs/dbraw/zinc/38/61/98/221386198.db2.gz HKQQABSLMBJMAJ-QLOAFGCXSA-N 0 0 380.557 6.054 50 0 GKAARN COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1F ZINC000018087096 221387265 /nfs/dbraw/zinc/38/72/65/221387265.db2.gz UEISXXBMBPDQTF-UHFFFAOYSA-N 0 0 392.455 5.292 50 0 GKAARN CCOc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000018155383 221388331 /nfs/dbraw/zinc/38/83/31/221388331.db2.gz FYDIBIKTYZPDTR-ADXLDGDMSA-N 0 0 389.539 5.870 50 0 GKAARN Cc1ccccc1O[C@@H](C)CNc1cccc(OCCCc2ccccc2)c1 ZINC000019738505 221448040 /nfs/dbraw/zinc/44/80/40/221448040.db2.gz JQYJLCSSEFATHN-NRFANRHFSA-N 0 0 375.512 5.886 50 0 GKAARN CC(C)CCOc1ccccc1CNc1cccc(OCc2ccccc2)c1 ZINC000019738472 221449315 /nfs/dbraw/zinc/44/93/15/221449315.db2.gz AIDREFARNBNBFO-UHFFFAOYSA-N 0 0 375.512 6.303 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 ZINC000020615071 221504724 /nfs/dbraw/zinc/50/47/24/221504724.db2.gz OUMAKZIZZJEIKH-UHFFFAOYSA-N 0 0 381.401 5.840 50 0 GKAARN Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000020615592 221505205 /nfs/dbraw/zinc/50/52/05/221505205.db2.gz KFOBFGYSROUKSV-UHFFFAOYSA-N 0 0 391.780 5.720 50 0 GKAARN Cc1nn(-c2ccccc2F)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020615475 221505268 /nfs/dbraw/zinc/50/52/68/221505268.db2.gz FHYOFDOSDLNLFG-UHFFFAOYSA-N 0 0 377.366 5.615 50 0 GKAARN CCCCN(C)c1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc21 ZINC000020848556 221513890 /nfs/dbraw/zinc/51/38/90/221513890.db2.gz 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O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503134 136204075 /nfs/dbraw/zinc/20/40/75/136204075.db2.gz OQHHSOITGSWQNY-UHFFFAOYSA-N 0 0 389.430 5.063 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@H]3CC[C@]21C ZINC000257350659 209079766 /nfs/dbraw/zinc/07/97/66/209079766.db2.gz YZAKUXKVXMKKGC-PINNKOSWSA-N 0 0 386.664 7.677 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C(=O)CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257346672 209079883 /nfs/dbraw/zinc/07/98/83/209079883.db2.gz DLLMWILXSWQKHZ-MCFZVKJISA-N 0 0 386.664 7.677 50 0 GKAARN CC(=O)OC1=CC[C@H]2[C@H]3CC[C@@H](OC(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@H]1C ZINC000257349664 209080997 /nfs/dbraw/zinc/08/09/97/209080997.db2.gz PZMNGIFIOIFHAJ-XAVVVYIVSA-N 0 0 382.500 5.141 50 0 GKAARN FC(F)(F)c1cccc(-c2c[nH]c(-c3ncc(C(F)(F)F)cc3Cl)n2)c1 ZINC000263639827 209082148 /nfs/dbraw/zinc/08/21/48/209082148.db2.gz KSONDMXJAKVLEO-UHFFFAOYSA-N 0 0 391.702 5.830 50 0 GKAARN Cc1cc(OCc2ccccc2)nc(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000263640118 209083280 /nfs/dbraw/zinc/08/32/80/209083280.db2.gz YGKPESHTGFUPEM-UHFFFAOYSA-N 0 0 379.769 5.098 50 0 GKAARN Cc1oc(-c2cccc(Cl)c2)nc1CNC(=O)Nc1ccc(Cl)cc1 ZINC000021635300 221535647 /nfs/dbraw/zinc/53/56/47/221535647.db2.gz JSEPXWCJRAJREM-UHFFFAOYSA-N 0 0 376.243 5.279 50 0 GKAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(F)cc1Br ZINC000021669436 221537472 /nfs/dbraw/zinc/53/74/72/221537472.db2.gz MCDBDDUWIKRLIT-UHFFFAOYSA-N 0 0 395.228 5.103 50 0 GKAARN CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021708462 221538714 /nfs/dbraw/zinc/53/87/14/221538714.db2.gz MMLMZSPAAHVCJB-UHFFFAOYSA-N 0 0 379.847 5.003 50 0 GKAARN Cc1ccccc1NC(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000022344035 221557443 /nfs/dbraw/zinc/55/74/43/221557443.db2.gz TYKURCVKXZMJBV-UHFFFAOYSA-N 0 0 390.449 5.891 50 0 GKAARN CCCCN(CC)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000022521899 221561962 /nfs/dbraw/zinc/56/19/62/221561962.db2.gz 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221591474 /nfs/dbraw/zinc/59/14/74/221591474.db2.gz WYMZHZNREZSZEW-UHFFFAOYSA-N 0 0 395.453 5.224 50 0 GKAARN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000023314126 221591684 /nfs/dbraw/zinc/59/16/84/221591684.db2.gz PDIYANDYBTZKLT-UHFFFAOYSA-N 0 0 388.298 5.729 50 0 GKAARN COc1cccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000023323063 221592059 /nfs/dbraw/zinc/59/20/59/221592059.db2.gz ZFTXMAMUTNBVEU-JOCHJYFZSA-N 0 0 392.886 5.528 50 0 GKAARN O=C(c1cccc(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023321687 221592332 /nfs/dbraw/zinc/59/23/32/221592332.db2.gz SMSJVQQHLJCRNK-NRFANRHFSA-N 0 0 382.290 5.781 50 0 GKAARN C[C@H](CCc1ccccc1)Nc1nc(-c2ccc(F)cc2F)nc2ccccc21 ZINC000023440586 221597319 /nfs/dbraw/zinc/59/73/19/221597319.db2.gz ZEYDOEWEGDLVKO-MRXNPFEDSA-N 0 0 389.449 6.008 50 0 GKAARN O=C(CSCc1ccc(F)cc1)Nc1ccc(SCc2cccnc2)cc1 ZINC000024786525 221617999 /nfs/dbraw/zinc/61/79/99/221617999.db2.gz NBGTWJLGTGTXSH-UHFFFAOYSA-N 0 0 398.528 5.385 50 0 GKAARN O=C(c1cc(F)ccc1F)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000024982331 221622982 /nfs/dbraw/zinc/62/29/82/221622982.db2.gz HAFPTPAQWGYFQG-UHFFFAOYSA-N 0 0 392.858 5.248 50 0 GKAARN Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccccc1SC1CCCC1 ZINC000025266803 221628090 /nfs/dbraw/zinc/62/80/90/221628090.db2.gz BQDBLGIUOFJSAR-VAWYXSNFSA-N 0 0 375.925 5.069 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1 ZINC000027579987 221655571 /nfs/dbraw/zinc/65/55/71/221655571.db2.gz MDVBPCHLJHUPPV-UHFFFAOYSA-N 0 0 376.334 5.011 50 0 GKAARN Cc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000027744650 221659440 /nfs/dbraw/zinc/65/94/40/221659440.db2.gz GJTTVHWDTCUBNH-FQEVSTJZSA-N 0 0 388.898 5.692 50 0 GKAARN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccnc2)cc1 ZINC000027772585 221660146 /nfs/dbraw/zinc/66/01/46/221660146.db2.gz KFTFOKKXGMOLOZ-UHFFFAOYSA-N 0 0 392.915 5.199 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2C)sc2c1[C@H](c1ccncc1)CC(=O)N2 ZINC000031821089 221714335 /nfs/dbraw/zinc/71/43/35/221714335.db2.gz 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/nfs/dbraw/zinc/75/79/16/221757916.db2.gz YCEYPYXYPRBSJR-UHFFFAOYSA-N 0 0 380.398 5.068 50 0 GKAARN CCc1ccccc1NC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000032985671 221760775 /nfs/dbraw/zinc/76/07/75/221760775.db2.gz SAKHQNTXBDTKKJ-UHFFFAOYSA-N 0 0 382.463 5.482 50 0 GKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccccc3C)cc21 ZINC000032986394 221760865 /nfs/dbraw/zinc/76/08/65/221760865.db2.gz PULPNHUVAPELHW-UHFFFAOYSA-N 0 0 382.463 5.861 50 0 GKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccccc4C)cc3)ncn2)c1 ZINC000033010663 221764489 /nfs/dbraw/zinc/76/44/89/221764489.db2.gz ZQPPVZQNKZVVJV-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN O=C(CCC1CCCC1)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033020138 221764820 /nfs/dbraw/zinc/76/48/20/221764820.db2.gz CWMDIRBVDOETRQ-UHFFFAOYSA-N 0 0 393.512 5.458 50 0 GKAARN CCCCN(CC)C(=O)c1cccc(Nc2ccnc(-c3ccc(C)cc3)n2)c1 ZINC000033025235 221766144 /nfs/dbraw/zinc/76/61/44/221766144.db2.gz YKWSWQUOEDXLKQ-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN COc1ccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025405 221766429 /nfs/dbraw/zinc/76/64/29/221766429.db2.gz KWNBUYYZEMQGLK-UHFFFAOYSA-N 0 0 396.450 5.148 50 0 GKAARN O=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1c(F)cccc1F ZINC000033036606 221766706 /nfs/dbraw/zinc/76/67/06/221766706.db2.gz PVFXZMUVHVYOPE-UHFFFAOYSA-N 0 0 382.797 6.019 50 0 GKAARN CCc1ccc2[nH]c(CSCC(=O)Nc3ccc(C(C)C)cc3)cc(=O)c2c1 ZINC000033064293 221768451 /nfs/dbraw/zinc/76/84/51/221768451.db2.gz MVCLPJFSYSFTJC-UHFFFAOYSA-N 0 0 394.540 5.086 50 0 GKAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cccc(Cl)c1 ZINC000033129057 221773549 /nfs/dbraw/zinc/77/35/49/221773549.db2.gz NRTHMLAMZKTHHU-UHFFFAOYSA-N 0 0 398.940 5.608 50 0 GKAARN Cc1ccc(Sc2nccnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033168900 221775843 /nfs/dbraw/zinc/77/58/43/221775843.db2.gz ZRKCLLYBLGFEKS-UHFFFAOYSA-N 0 0 395.553 5.284 50 0 GKAARN CN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 ZINC000033257037 221778654 /nfs/dbraw/zinc/77/86/54/221778654.db2.gz 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221793993 /nfs/dbraw/zinc/79/39/93/221793993.db2.gz KCVUZQCEEFTCBU-LFIBNONCSA-N 0 0 394.883 5.815 50 0 GKAARN Clc1ccc(/C=C\C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000033921147 221796530 /nfs/dbraw/zinc/79/65/30/221796530.db2.gz QOSXKVNZPOEPHU-YTUBISENSA-N 0 0 393.317 7.014 50 0 GKAARN O=c1c2ccccc2nc(/C=C\c2ccc(Cl)cc2)n1-c1ccccc1Cl ZINC000033908116 221796621 /nfs/dbraw/zinc/79/66/21/221796621.db2.gz HFHDMEXHTISSFY-KAMYIIQDSA-N 0 0 393.273 5.863 50 0 GKAARN Brc1ccc(/C=C2/c3ccccc3-c3nc4ccccc4cc32)cc1 ZINC000033900583 221797542 /nfs/dbraw/zinc/79/75/42/221797542.db2.gz PCZBOSBWRXREFG-MOSHPQCFSA-N 0 0 384.276 6.567 50 0 GKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908526 221807577 /nfs/dbraw/zinc/80/75/77/221807577.db2.gz LWZRPJJYTHPPHG-JOCHJYFZSA-N 0 0 397.478 6.172 50 0 GKAARN COc1ccccc1C(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907717 221808632 /nfs/dbraw/zinc/80/86/32/221808632.db2.gz SRODAFCXZIYELQ-NRFANRHFSA-N 0 0 398.462 5.481 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034913155 221809850 /nfs/dbraw/zinc/80/98/50/221809850.db2.gz FVCLCKBBRDWICR-MRXNPFEDSA-N 0 0 397.950 6.364 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)C[C@H](C)CC(C)(C)C ZINC000034914949 221810240 /nfs/dbraw/zinc/81/02/40/221810240.db2.gz ZMHHVRDEIJZDNP-HNNXBMFYSA-N 0 0 399.485 5.989 50 0 GKAARN COc1ccc(OC)c(NC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)c1 ZINC000035561649 221827401 /nfs/dbraw/zinc/82/74/01/221827401.db2.gz ZRAUMYWTDCURCC-LJQANCHMSA-N 0 0 388.895 5.506 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000035536412 221828287 /nfs/dbraw/zinc/82/82/87/221828287.db2.gz GQECLVLEZQLCSX-UHFFFAOYSA-N 0 0 385.261 5.282 50 0 GKAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)NC1CCCCCC1 ZINC000038548537 221880327 /nfs/dbraw/zinc/88/03/27/221880327.db2.gz OGZWXICUMYECBA-UHFFFAOYSA-N 0 0 392.952 5.445 50 0 GKAARN COc1cccc(-c2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)no2)c1 ZINC000036011935 221838340 /nfs/dbraw/zinc/83/83/40/221838340.db2.gz 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/nfs/dbraw/zinc/86/27/25/221862725.db2.gz QHLWQDDOTJKOLS-QGZVFWFLSA-N 0 0 391.464 5.199 50 0 GKAARN Cc1ccc(Oc2cc(C(F)(F)F)nc(SCc3cccc(C)c3)n2)cc1 ZINC000037509680 221871884 /nfs/dbraw/zinc/87/18/84/221871884.db2.gz DBNBGDJYWVODQR-UHFFFAOYSA-N 0 0 390.430 6.197 50 0 GKAARN COc1ccccc1-c1n[nH]c(CC(C)C)c1NC(=O)c1ccc(Cl)cc1 ZINC000034796337 221804893 /nfs/dbraw/zinc/80/48/93/221804893.db2.gz ACEWHAZMFZKCFI-UHFFFAOYSA-N 0 0 383.879 5.190 50 0 GKAARN O=C(NCc1ccco1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000038655040 221882969 /nfs/dbraw/zinc/88/29/69/221882969.db2.gz QLBKEFHDUWMJMC-UHFFFAOYSA-N 0 0 382.872 5.382 50 0 GKAARN COc1cccc(-c2nc(COC(=O)[C@H](C)Sc3ccccc3)cs2)c1 ZINC000039574323 221892075 /nfs/dbraw/zinc/89/20/75/221892075.db2.gz JXFBIANQXMCOKQ-AWEZNQCLSA-N 0 0 385.510 5.043 50 0 GKAARN Cc1cccc(-c2nnc([C@H](C)Sc3ccccc3Br)o2)c1 ZINC000040012693 221897146 /nfs/dbraw/zinc/89/71/46/221897146.db2.gz JBYQIEBATONXJR-LBPRGKRZSA-N 0 0 375.291 5.661 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000040485516 221924817 /nfs/dbraw/zinc/92/48/17/221924817.db2.gz JVYZQXMXBIYDHC-JOCHJYFZSA-N 0 0 391.417 5.326 50 0 GKAARN Cc1ccc([C@H](CCO)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 ZINC000044198031 221950996 /nfs/dbraw/zinc/95/09/96/221950996.db2.gz TVNNBZFAPUUCQO-NRFANRHFSA-N 0 0 393.508 5.019 50 0 GKAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1 ZINC000044086682 221951605 /nfs/dbraw/zinc/95/16/05/221951605.db2.gz MMPKIQNGJMPLQA-UHFFFAOYSA-N 0 0 399.519 5.579 50 0 GKAARN CCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943928 221965741 /nfs/dbraw/zinc/96/57/41/221965741.db2.gz FJHNUHWTJDNIKW-UHFFFAOYSA-N 0 0 394.927 6.300 50 0 GKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)ccc1F ZINC000045943163 221965921 /nfs/dbraw/zinc/96/59/21/221965921.db2.gz PWUJOANSWDGKSX-UHFFFAOYSA-N 0 0 376.840 5.173 50 0 GKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 ZINC000046022272 221969545 /nfs/dbraw/zinc/96/95/45/221969545.db2.gz 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ZINC000049590350 222000446 /nfs/dbraw/zinc/00/04/46/222000446.db2.gz QEEHUNCDELPHSD-IBGZPJMESA-N 0 0 391.496 5.047 50 0 GKAARN COc1cc2c(cc1NC(=O)c1ccc(-c3ccccc3)cc1)oc1ccccc12 ZINC000049985762 222001989 /nfs/dbraw/zinc/00/19/89/222001989.db2.gz WEMVHFBRJVTGQG-UHFFFAOYSA-N 0 0 393.442 6.514 50 0 GKAARN O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000051354072 222004333 /nfs/dbraw/zinc/00/43/33/222004333.db2.gz POPOPINTTSSHNY-UHFFFAOYSA-N 0 0 399.805 5.067 50 0 GKAARN COc1cc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1O ZINC000051074663 222004533 /nfs/dbraw/zinc/00/45/33/222004533.db2.gz IDLFMHSYZZPZQU-QINSGFPZSA-N 0 0 399.475 5.476 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364521 222006956 /nfs/dbraw/zinc/00/69/56/222006956.db2.gz VXZGYKWKGCASGU-HNNXBMFYSA-N 0 0 399.277 5.152 50 0 GKAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000064984186 222092692 /nfs/dbraw/zinc/09/26/92/222092692.db2.gz MMGGQKMEKXGIRR-JOCHJYFZSA-N 0 0 387.545 5.125 50 0 GKAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000064984103 222092790 /nfs/dbraw/zinc/09/27/90/222092790.db2.gz LHQINWGRCQLIQF-IBGZPJMESA-N 0 0 381.900 5.094 50 0 GKAARN O=C(Nc1cccc(F)c1)c1cccc(-c2cc(NC3CCCCC3)ncn2)c1 ZINC000064989616 222093468 /nfs/dbraw/zinc/09/34/68/222093468.db2.gz HYPUFTVFWONZJE-UHFFFAOYSA-N 0 0 390.462 5.280 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(-c3cc(NC4CCCCC4)ncn3)cc2)cc1 ZINC000064989506 222093617 /nfs/dbraw/zinc/09/36/17/222093617.db2.gz UOFZDESLSDOWKG-UHFFFAOYSA-N 0 0 386.499 5.449 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025557 222094708 /nfs/dbraw/zinc/09/47/08/222094708.db2.gz NPUHKSQMNTWAIC-UHFFFAOYSA-N 0 0 386.499 5.449 50 0 GKAARN CCCOc1c2cc(NC(=O)Nc3cccc(C)c3)ccc2sc1C(=O)OC ZINC000065022975 222095436 /nfs/dbraw/zinc/09/54/36/222095436.db2.gz OWBQTIYQJJNERW-UHFFFAOYSA-N 0 0 398.484 5.429 50 0 GKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000065033837 222095824 /nfs/dbraw/zinc/09/58/24/222095824.db2.gz OJRXNYMSZFTIJZ-UHFFFAOYSA-N 0 0 386.426 5.610 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(F)cc2)nc1 ZINC000065030061 222096090 /nfs/dbraw/zinc/09/60/90/222096090.db2.gz SCNJUDSZRYBRLH-UHFFFAOYSA-N 0 0 384.410 5.932 50 0 GKAARN COc1ccc(-c2cc(OC)c3cc(NC(=O)Cc4ccccc4)ccc3n2)cc1 ZINC000065033859 222096142 /nfs/dbraw/zinc/09/61/42/222096142.db2.gz ZRYJWHWHHVYBLZ-UHFFFAOYSA-N 0 0 398.462 5.100 50 0 GKAARN CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc(OC)cc3)cc21 ZINC000065033813 222096333 /nfs/dbraw/zinc/09/63/33/222096333.db2.gz QZFMWVYAWKWKNE-UHFFFAOYSA-N 0 0 398.462 5.561 50 0 GKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 ZINC000065063235 222098360 /nfs/dbraw/zinc/09/83/60/222098360.db2.gz TZTTXWOOTCFZGH-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc3ccccc32)cc1C ZINC000065084846 222099304 /nfs/dbraw/zinc/09/93/04/222099304.db2.gz HVWJWZIQFKGLSW-UHFFFAOYSA-N 0 0 382.463 5.128 50 0 GKAARN O=C1c2ccccc2C(=O)N1Cc1cccc(-c2nc(-c3ccccc3)cs2)c1 ZINC000065090310 222099399 /nfs/dbraw/zinc/09/93/99/222099399.db2.gz JFXKIVOGUWXTAG-UHFFFAOYSA-N 0 0 396.471 5.273 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2cc(Cl)ccc2F)n1 ZINC000065114416 222102445 /nfs/dbraw/zinc/10/24/45/222102445.db2.gz YKDJLTDDPONTPQ-UHFFFAOYSA-N 0 0 398.869 5.100 50 0 GKAARN Cc1ccc(-c2ncc(C(=O)Nc3ccccc3C)c(-c3ccncc3)n2)cc1 ZINC000065153815 222104996 /nfs/dbraw/zinc/10/49/96/222104996.db2.gz MOPAAJNZSLLZNJ-UHFFFAOYSA-N 0 0 380.451 5.075 50 0 GKAARN COc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000065152877 222105197 /nfs/dbraw/zinc/10/51/97/222105197.db2.gz CRZRXYKINULOOA-UHFFFAOYSA-N 0 0 389.480 5.077 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)NCc2ccc(C)c(C)c2)c1 ZINC000065172850 222106375 /nfs/dbraw/zinc/10/63/75/222106375.db2.gz ARZZFJXOJFJRCZ-UHFFFAOYSA-N 0 0 398.510 5.055 50 0 GKAARN CCOc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(SC)c2)s1 ZINC000065184669 222107715 /nfs/dbraw/zinc/10/77/15/222107715.db2.gz CLWGSCFBRLUDOK-UHFFFAOYSA-N 0 0 399.541 5.568 50 0 GKAARN CCSc1ccc(-c2cccc(NC(=O)Nc3ccc(OC)cc3C)c2)nn1 ZINC000065185964 222108390 /nfs/dbraw/zinc/10/83/90/222108390.db2.gz GDOAJFUEMVTVRW-UHFFFAOYSA-N 0 0 394.500 5.217 50 0 GKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)c3ccnc(Cl)c3)n2)cc1 ZINC000065218960 222110888 /nfs/dbraw/zinc/11/08/88/222110888.db2.gz DAHHBDGRCRRYRQ-UHFFFAOYSA-N 0 0 396.859 5.074 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCCOc1ccc(Cl)cc1 ZINC000058016251 222037296 /nfs/dbraw/zinc/03/72/96/222037296.db2.gz PCHPRKNBEPTADZ-ZDUSSCGKSA-N 0 0 384.328 5.441 50 0 GKAARN Cc1sc(NC(=O)c2csc(-c3ccccn3)n2)nc1-c1ccc(F)cc1 ZINC000058030069 222038211 /nfs/dbraw/zinc/03/82/11/222038211.db2.gz OFHUYNHHBXPUTJ-UHFFFAOYSA-N 0 0 396.472 5.028 50 0 GKAARN Cc1ccc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c(C)c1 ZINC000058098735 222039069 /nfs/dbraw/zinc/03/90/69/222039069.db2.gz IHZLLUWIWMTEFW-HSZRJFAPSA-N 0 0 395.955 6.418 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCc1cccc(Br)c1 ZINC000058082011 222039132 /nfs/dbraw/zinc/03/91/32/222039132.db2.gz WCEXVAFVRKXVSV-GFCCVEGCSA-N 0 0 398.753 5.671 50 0 GKAARN Cc1ccc(C)c(CN2CCCN(C(=S)Nc3cccc(Cl)c3C)C2)c1 ZINC000058096666 222039500 /nfs/dbraw/zinc/03/95/00/222039500.db2.gz DUOZNPGYHSFFNN-UHFFFAOYSA-N 0 0 387.980 5.127 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000058050529 222040186 /nfs/dbraw/zinc/04/01/86/222040186.db2.gz RWGGIZUQGGWJRP-FQEVSTJZSA-N 0 0 391.496 5.369 50 0 GKAARN Cc1ccc(C(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)c(C)c1 ZINC000065219344 222111964 /nfs/dbraw/zinc/11/19/64/222111964.db2.gz NPZUSFGFSZCXPF-UHFFFAOYSA-N 0 0 393.443 5.473 50 0 GKAARN Cc1nnc([C@H](C)Sc2nnc(-c3sc4ccccc4c3Cl)o2)o1 ZINC000058167695 222042278 /nfs/dbraw/zinc/04/22/78/222042278.db2.gz KPRBJWKLOWOYGB-ZETCQYMHSA-N 0 0 378.866 5.149 50 0 GKAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cc(F)c(Cl)nc1Cl ZINC000058330691 222048788 /nfs/dbraw/zinc/04/87/88/222048788.db2.gz LQKGSYUWHLDYPP-CQSZACIVSA-N 0 0 399.249 5.248 50 0 GKAARN Fc1cccc(Cl)c1CN(Cc1cc(Cl)cc2c1OCOC2)C1CC1 ZINC000058370145 222050789 /nfs/dbraw/zinc/05/07/89/222050789.db2.gz AVZKKVMKIQHRDX-UHFFFAOYSA-N 0 0 382.262 5.164 50 0 GKAARN CCc1noc([C@@H](C)Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000058356836 222050801 /nfs/dbraw/zinc/05/08/01/222050801.db2.gz BMMGFCRHHBQXIS-CQSZACIVSA-N 0 0 377.469 5.807 50 0 GKAARN CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000058367669 222051043 /nfs/dbraw/zinc/05/10/43/222051043.db2.gz VIDIZBUMTVECSG-ZDUSSCGKSA-N 0 0 382.382 5.209 50 0 GKAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCCCCCC1 ZINC000058406048 222052210 /nfs/dbraw/zinc/05/22/10/222052210.db2.gz INYIVAZVTZKHNR-UHFFFAOYSA-N 0 0 392.499 5.430 50 0 GKAARN CCOc1ccc2cc(C(=O)N(C)C3CCC(c4ccccc4)CC3)[nH]c2c1 ZINC000058413149 222052467 /nfs/dbraw/zinc/05/24/67/222052467.db2.gz NNVHFPGAGYVTMZ-UHFFFAOYSA-N 0 0 376.500 5.365 50 0 GKAARN COc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)sc2C)cc1 ZINC000058419243 222052708 /nfs/dbraw/zinc/05/27/08/222052708.db2.gz BMFPLULSWJFUSU-HUUCEWRRSA-N 0 0 398.450 5.434 50 0 GKAARN O=C(Nc1ccc(-c2ccccc2)cn1)c1ccccc1SC[C@@H]1CCCO1 ZINC000058441418 222054533 /nfs/dbraw/zinc/05/45/33/222054533.db2.gz YBGBVJNJKVILQH-IBGZPJMESA-N 0 0 390.508 5.272 50 0 GKAARN CC[C@@H](C)Sc1ccc(NC(=O)/C=C/c2cscn2)c(C(F)(F)F)c1 ZINC000060306179 222059813 /nfs/dbraw/zinc/05/98/13/222059813.db2.gz XTBCIYVIWQLYDK-TZOMUSMUSA-N 0 0 386.464 5.704 50 0 GKAARN FC(F)(F)c1nc2ccccc2c(N[C@@H](c2ccccc2)c2ccncc2)n1 ZINC000060847098 222060727 /nfs/dbraw/zinc/06/07/27/222060727.db2.gz PKBWSKCZBBBSCD-SFHVURJKSA-N 0 0 380.373 5.245 50 0 GKAARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1 ZINC000061997166 222063867 /nfs/dbraw/zinc/06/38/67/222063867.db2.gz NMNKQNLJKWTPEE-UHFFFAOYSA-N 0 0 390.361 5.400 50 0 GKAARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)cc1 ZINC000061997176 222064197 /nfs/dbraw/zinc/06/41/97/222064197.db2.gz IWGVTXSHBSTEIO-UHFFFAOYSA-N 0 0 397.431 5.130 50 0 GKAARN Cc1ccc2c(c1)c1c3n2CCN(CC(=O)c2c[nH]c4ccccc24)[C@H]3CCC1 ZINC000061991192 222064394 /nfs/dbraw/zinc/06/43/94/222064394.db2.gz YBTJMDGSRKIECM-QHCPKHFHSA-N 0 0 383.495 5.007 50 0 biogenic GKAARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)no2)cc1 ZINC000061997131 222064600 /nfs/dbraw/zinc/06/46/00/222064600.db2.gz NMOZPXGVODNBDA-UHFFFAOYSA-N 0 0 391.254 5.688 50 0 GKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(OCC)cc3)no2)cc1 ZINC000061997103 222064796 /nfs/dbraw/zinc/06/47/96/222064796.db2.gz DORABZZBFUPDGU-UHFFFAOYSA-N 0 0 380.444 5.172 50 0 GKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063980748 222069754 /nfs/dbraw/zinc/06/97/54/222069754.db2.gz UTZICERZFWFHLQ-UHFFFAOYSA-N 0 0 377.391 5.148 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(F)c(F)c3)c2-n2cccc2)cc1 ZINC000064472568 222072353 /nfs/dbraw/zinc/07/23/53/222072353.db2.gz NYWCJRJLVIAZDA-UHFFFAOYSA-N 0 0 394.446 6.045 50 0 GKAARN Cc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000064472641 222072567 /nfs/dbraw/zinc/07/25/67/222072567.db2.gz QOJPLTMVFAOZGB-UHFFFAOYSA-N 0 0 376.456 5.906 50 0 GKAARN O=C(Nc1cccc(F)c1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000064472749 222072586 /nfs/dbraw/zinc/07/25/86/222072586.db2.gz HAXRFNUZCSZTCJ-UHFFFAOYSA-N 0 0 396.874 6.251 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3ccc(F)c(F)c3)c2c1 ZINC000064568479 222074898 /nfs/dbraw/zinc/07/48/98/222074898.db2.gz CIHWYYOXOBKYPP-OAHLLOKOSA-N 0 0 395.453 5.437 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)c(F)c3)c2c1 ZINC000064568429 222074997 /nfs/dbraw/zinc/07/49/97/222074997.db2.gz CRGFIBXIHNTLIG-UHFFFAOYSA-N 0 0 395.453 5.437 50 0 GKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccccc3C)cc12 ZINC000064567892 222075248 /nfs/dbraw/zinc/07/52/48/222075248.db2.gz HLLZUUQRLFVJAV-UHFFFAOYSA-N 0 0 381.888 5.610 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000064578734 222075341 /nfs/dbraw/zinc/07/53/41/222075341.db2.gz GQAZEIZOIADQDR-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C)cc3Cl)cc12 ZINC000064567904 222075355 /nfs/dbraw/zinc/07/53/55/222075355.db2.gz FWQZOUWTJAIPIR-UHFFFAOYSA-N 0 0 399.878 5.749 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000064578683 222075422 /nfs/dbraw/zinc/07/54/22/222075422.db2.gz MNQULFLWPNOGRD-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccccc2C)CC3)cc1 ZINC000064659892 222075994 /nfs/dbraw/zinc/07/59/94/222075994.db2.gz LKVJZPBBRGCBLQ-UHFFFAOYSA-N 0 0 393.512 5.107 50 0 GKAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCc2ccccc21 ZINC000064657613 222076992 /nfs/dbraw/zinc/07/69/92/222076992.db2.gz NPOJUXZUZNJQHY-UHFFFAOYSA-N 0 0 392.911 5.613 50 0 GKAARN Cc1ccccc1-c1nc(-c2ccc3c(c2)Sc2ccccc2C(=O)N3C)no1 ZINC000064666765 222077553 /nfs/dbraw/zinc/07/75/53/222077553.db2.gz MIDWRSOQFAAGAH-UHFFFAOYSA-N 0 0 399.475 5.453 50 0 GKAARN CCc1nc(-c2ccc(-c3noc(COc4cccc(C)c4)n3)cc2)cs1 ZINC000064669169 222077827 /nfs/dbraw/zinc/07/78/27/222077827.db2.gz GBUVGSUPMSITSC-UHFFFAOYSA-N 0 0 377.469 5.310 50 0 GKAARN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NC3CC3)o2)cc1 ZINC000064669327 222077831 /nfs/dbraw/zinc/07/78/31/222077831.db2.gz OIZBDXWTLCXLDI-UHFFFAOYSA-N 0 0 389.499 5.516 50 0 GKAARN Fc1ccc(OCc2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)cc1 ZINC000064669248 222077897 /nfs/dbraw/zinc/07/78/97/222077897.db2.gz WKFSEJBQWNYQGH-UHFFFAOYSA-N 0 0 393.443 5.456 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)c1 ZINC000064666421 222077943 /nfs/dbraw/zinc/07/79/43/222077943.db2.gz AXKPMVRCMIPDGD-UHFFFAOYSA-N 0 0 395.915 5.824 50 0 GKAARN Fc1ccccc1Cc1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1 ZINC000064669224 222077988 /nfs/dbraw/zinc/07/79/88/222077988.db2.gz SESZJILCGXRFLF-UHFFFAOYSA-N 0 0 377.444 5.467 50 0 GKAARN Cc1cc2c(cc1C)N=C(c1ccc(F)cc1)CC(SCC(=O)NC(C)C)=N2 ZINC000064668894 222078088 /nfs/dbraw/zinc/07/80/88/222078088.db2.gz IKRBXJZJOJDIKJ-UHFFFAOYSA-N 0 0 397.519 5.255 50 0 GKAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1)C1CCCCC1 ZINC000064666728 222078169 /nfs/dbraw/zinc/07/81/69/222078169.db2.gz ZZIASCOWGXLJRF-UHFFFAOYSA-N 0 0 392.524 5.479 50 0 GKAARN COCCCNc1c(-c2ccc(SC)cc2)nc2sc3cc(C)ccc3n21 ZINC000064668442 222078317 /nfs/dbraw/zinc/07/83/17/222078317.db2.gz KUSOEMLPEFRENB-UHFFFAOYSA-N 0 0 397.569 5.695 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(F)cc3Cl)cc12 ZINC000064666286 222078411 /nfs/dbraw/zinc/07/84/11/222078411.db2.gz CZGNXJCJLUCAAS-UHFFFAOYSA-N 0 0 386.835 5.407 50 0 GKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)cs1 ZINC000064669956 222078484 /nfs/dbraw/zinc/07/84/84/222078484.db2.gz FJFUFNQPKSTPEC-UHFFFAOYSA-N 0 0 390.505 5.182 50 0 GKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)cc1C ZINC000064664527 222078558 /nfs/dbraw/zinc/07/85/58/222078558.db2.gz UXALTQVBUWUPSF-UHFFFAOYSA-N 0 0 399.882 5.049 50 0 GKAARN Cc1cc(F)ccc1NC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000064675581 222079212 /nfs/dbraw/zinc/07/92/12/222079212.db2.gz LGBCAOBMECYSAR-UHFFFAOYSA-N 0 0 391.421 5.159 50 0 GKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2ccccc2Cl)cc1 ZINC000064675611 222079475 /nfs/dbraw/zinc/07/94/75/222079475.db2.gz PTGDBUGIODPDFF-UHFFFAOYSA-N 0 0 389.886 5.534 50 0 GKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(OC)c(Cl)c1 ZINC000064690467 222079579 /nfs/dbraw/zinc/07/95/79/222079579.db2.gz GOUPZCLRNURIAF-UHFFFAOYSA-N 0 0 399.878 5.219 50 0 GKAARN O=C(Nc1c(-c2ccncc2)nc2ccccn21)Nc1cccc(C(F)(F)F)c1 ZINC000064758065 222080978 /nfs/dbraw/zinc/08/09/78/222080978.db2.gz AASQKGIAOYGBRH-UHFFFAOYSA-N 0 0 397.360 5.059 50 0 GKAARN Cc1c(Cl)cccc1Nc1cc(C(C)C)nc2nc(-c3cccnc3)nn21 ZINC000064791007 222082535 /nfs/dbraw/zinc/08/25/35/222082535.db2.gz ZTXNLRJXFCSTKW-UHFFFAOYSA-N 0 0 378.867 5.015 50 0 GKAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 ZINC000064837470 222083105 /nfs/dbraw/zinc/08/31/05/222083105.db2.gz LNPDDTYUCQFGTB-UHFFFAOYSA-N 0 0 390.892 5.029 50 0 GKAARN Cc1cccc(-c2csc(C(=O)Nc3ccc(C)c(F)c3)c2-n2cccc2)c1 ZINC000064872283 222086779 /nfs/dbraw/zinc/08/67/79/222086779.db2.gz IATVTKDMESYHOV-UHFFFAOYSA-N 0 0 390.483 6.214 50 0 GKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955835 222089727 /nfs/dbraw/zinc/08/97/27/222089727.db2.gz UTVREEYGWZMJOU-HSZRJFAPSA-N 0 0 399.469 5.031 50 0 GKAARN O=C(NCc1ccccc1Cl)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968039 222090837 /nfs/dbraw/zinc/09/08/37/222090837.db2.gz LRTJBSHGVTZWTI-UHFFFAOYSA-N 0 0 390.870 5.196 50 0 GKAARN COc1cc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1 ZINC000064984912 222092272 /nfs/dbraw/zinc/09/22/72/222092272.db2.gz FEEGTJMUUBQCOL-FQEVSTJZSA-N 0 0 388.895 5.506 50 0 GKAARN COc1cc(-c2nc3sc4cc(C)ccc4n3c2NC(C)(C)C)ccc1O ZINC000065319300 222123013 /nfs/dbraw/zinc/12/30/13/222123013.db2.gz MPSBIUJQMKMPLZ-UHFFFAOYSA-N 0 0 381.501 5.449 50 0 GKAARN CCOc1ccc2c(c1)sc1nc(-c3cccc(C)c3)c(NCCCOC)n21 ZINC000065319384 222123056 /nfs/dbraw/zinc/12/30/56/222123056.db2.gz UWQDQUBLRXUZPV-UHFFFAOYSA-N 0 0 395.528 5.372 50 0 GKAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccccc3Cl)n2)c1 ZINC000065320689 222123226 /nfs/dbraw/zinc/12/32/26/222123226.db2.gz TZXSPKUHASLMRD-QGZVFWFLSA-N 0 0 382.851 5.067 50 0 GKAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 ZINC000065331267 222124403 /nfs/dbraw/zinc/12/44/03/222124403.db2.gz YVQLIYDVOJOCGK-GOSISDBHSA-N 0 0 395.890 5.179 50 0 GKAARN Cc1cnn([C@H](C)Cn2cnc(-c3ccccc3)c2-c2ccc(Cl)nc2)c1 ZINC000065398056 222127463 /nfs/dbraw/zinc/12/74/63/222127463.db2.gz PKIMZCCVCUKOEU-MRXNPFEDSA-N 0 0 377.879 5.032 50 0 GKAARN COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1[C@@H](C)Cc1cnccn1 ZINC000065424820 222130055 /nfs/dbraw/zinc/13/00/55/222130055.db2.gz ABRBCRCFAGZHIE-SFHVURJKSA-N 0 0 384.483 5.128 50 0 GKAARN O=C(NCc1cc(-c2ccccc2)on1)c1ccc(-c2ccccc2F)s1 ZINC000065492803 222131558 /nfs/dbraw/zinc/13/15/58/222131558.db2.gz JGULDQPEGVPRPY-UHFFFAOYSA-N 0 0 378.428 5.139 50 0 GKAARN Cc1[nH]c2c(cccc2C(=O)Nc2ccc(Sc3nncs3)cc2)c1C ZINC000065531658 222133629 /nfs/dbraw/zinc/13/36/29/222133629.db2.gz SYTRMZQXJJOPGM-UHFFFAOYSA-N 0 0 380.498 5.040 50 0 GKAARN Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccccc1Oc1c(C)cccc1C ZINC000065836123 222135667 /nfs/dbraw/zinc/13/56/67/222135667.db2.gz FWCVRMNMXVDJEW-BUHFOSPRSA-N 0 0 375.472 5.098 50 0 GKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1 ZINC000067190077 222140969 /nfs/dbraw/zinc/14/09/69/222140969.db2.gz PAHPZVNIPMAENQ-BZZOAKBMSA-N 0 0 388.854 5.879 50 0 GKAARN Cc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 ZINC000067245243 222141832 /nfs/dbraw/zinc/14/18/32/222141832.db2.gz RYGGKGPKEVJQQO-UHFFFAOYSA-N 0 0 397.409 5.155 50 0 GKAARN Cc1cc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)ccc1Cl ZINC000067295583 222143029 /nfs/dbraw/zinc/14/30/29/222143029.db2.gz AHNOKIFNVYUEIA-LVWGJNHUSA-N 0 0 392.842 5.150 50 0 GKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)nc1 ZINC000067296545 222143371 /nfs/dbraw/zinc/14/33/71/222143371.db2.gz SRPKSLLDPBMBML-LVWGJNHUSA-N 0 0 389.842 5.274 50 0 GKAARN CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 ZINC000067297371 222145538 /nfs/dbraw/zinc/14/55/38/222145538.db2.gz LXOVLSKAJYLGOV-LCUIJRPUSA-N 0 0 384.435 5.316 50 0 GKAARN Cc1ccc(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 ZINC000067884468 222164735 /nfs/dbraw/zinc/16/47/35/222164735.db2.gz IFOVXUVHNQPYFG-UHFFFAOYSA-N 0 0 386.373 5.131 50 0 GKAARN Cc1ccc(O[C@@H](C)C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000069706886 222175476 /nfs/dbraw/zinc/17/54/76/222175476.db2.gz PPHGYHNIMKQXNU-LPHOPBHVSA-N 0 0 380.513 5.126 50 0 GKAARN O=c1scc(-c2ccccc2)n1-c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000071195107 222179101 /nfs/dbraw/zinc/17/91/01/222179101.db2.gz CXENFVQGPRRGIU-UHFFFAOYSA-N 0 0 396.471 5.888 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)N[C@@H]1CCc2ccccc21 ZINC000071326650 222181747 /nfs/dbraw/zinc/18/17/47/222181747.db2.gz JJZNAEIOPBJXDT-LJQANCHMSA-N 0 0 377.513 5.229 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000071326633 222182019 /nfs/dbraw/zinc/18/20/19/222182019.db2.gz YBYCTTULBBACAA-CQSZACIVSA-N 0 0 383.492 5.442 50 0 GKAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000071326700 222182415 /nfs/dbraw/zinc/18/24/15/222182415.db2.gz LALUWDLTNVKHHK-UHFFFAOYSA-N 0 0 397.466 5.145 50 0 GKAARN COc1ccc2[nH]c(C(=O)N3CCC[C@@H](CCc4ccccc4F)C3)c(C)c2c1 ZINC000071419330 222182805 /nfs/dbraw/zinc/18/28/05/222182805.db2.gz UMZPXFZPESTDGV-KRWDZBQOSA-N 0 0 394.490 5.109 50 0 GKAARN COc1cccc(-c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)c1 ZINC000071589525 222184845 /nfs/dbraw/zinc/18/48/45/222184845.db2.gz FWWCGNNVOWQBQL-HXUWFJFHSA-N 0 0 386.495 5.167 50 0 GKAARN CNc1nc(NCc2cc(C)cc3c(C)c(-c4ccccc4)[nH]c32)ncc1F ZINC000071762179 222194769 /nfs/dbraw/zinc/19/47/69/222194769.db2.gz DENOLJSKOHJUJN-UHFFFAOYSA-N 0 0 375.451 5.035 50 0 GKAARN COc1ccccc1[C@H](c1ccccn1)[C@@](C)(O)c1ccc(Cl)cc1Cl ZINC000071767203 222196608 /nfs/dbraw/zinc/19/66/08/222196608.db2.gz YGKHPCYFXJLQFE-RTWAWAEBSA-N 0 0 388.294 5.437 50 0 GKAARN Cc1nn(C)c2sc(C(=O)N(c3ccc4[nH]ccc4c3)[C@@H](C)CC(C)C)cc12 ZINC000072066687 222203876 /nfs/dbraw/zinc/20/38/76/222203876.db2.gz JLNUTFMKOKWAQB-AWEZNQCLSA-N 0 0 394.544 5.506 50 0 GKAARN CCc1nnc(-c2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc2)o1 ZINC000072309708 222222919 /nfs/dbraw/zinc/22/29/19/222222919.db2.gz MPRCGIGHZOFLCT-QGZVFWFLSA-N 0 0 380.448 5.041 50 0 GKAARN O=C(c1cnc2ccccc2c1NCc1ccccc1Cl)N1CCCCC1 ZINC000072328450 222228988 /nfs/dbraw/zinc/22/89/88/222228988.db2.gz QPOJGXJYDFNSCZ-UHFFFAOYSA-N 0 0 379.891 5.126 50 0 GKAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)c1cnc2cc(F)ccc2c1Cl ZINC000072329797 222229023 /nfs/dbraw/zinc/22/90/23/222229023.db2.gz NRPMZRCDHHVBFO-UHFFFAOYSA-N 0 0 390.650 5.167 50 0 GKAARN Cn1c(C(=O)Nc2ccc(Oc3cccc4[nH]ccc43)nc2)cc2ccsc21 ZINC000072405081 222255280 /nfs/dbraw/zinc/25/52/80/222255280.db2.gz DCHBGCHMQBZTHN-UHFFFAOYSA-N 0 0 388.452 5.161 50 0 GKAARN CN(Cc1ccncn1)Cc1cc2ccc(Cl)cc2nc1-c1ccsc1 ZINC000072420118 222257211 /nfs/dbraw/zinc/25/72/11/222257211.db2.gz VNOPDMVXANWHBX-UHFFFAOYSA-N 0 0 380.904 5.039 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000085808385 222324665 /nfs/dbraw/zinc/32/46/65/222324665.db2.gz AOOKXUBNWBRTPO-UHFFFAOYSA-N 0 0 375.859 6.441 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c1 ZINC000085649847 222325154 /nfs/dbraw/zinc/32/51/54/222325154.db2.gz KBDWDKIULNGRAO-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN Cc1cc(C)c(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c(C)c1 ZINC000085651525 222325754 /nfs/dbraw/zinc/32/57/54/222325754.db2.gz AABLEWRYNAUGGE-UHFFFAOYSA-N 0 0 399.416 5.648 50 0 GKAARN CCOc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1 ZINC000085808312 222325888 /nfs/dbraw/zinc/32/58/88/222325888.db2.gz CIFVUUJPAFUBGO-UHFFFAOYSA-N 0 0 385.467 6.186 50 0 GKAARN CCCCc1nc2cc(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)ccc2o1 ZINC000095497569 222331702 /nfs/dbraw/zinc/33/17/02/222331702.db2.gz SOKXJFFDZQDKKI-SFHVURJKSA-N 0 0 381.476 5.259 50 0 GKAARN Cc1cc([C@@H]2CCCCN2C(=O)Nc2cccc(-c3csc(C)n3)c2)no1 ZINC000095503223 222336342 /nfs/dbraw/zinc/33/63/42/222336342.db2.gz QQUXSZOLIAXLIU-IBGZPJMESA-N 0 0 382.489 5.174 50 0 GKAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC(c2cccs2)CC1 ZINC000077099775 222272787 /nfs/dbraw/zinc/27/27/87/222272787.db2.gz LAFQMBXXPWEPES-UHFFFAOYSA-N 0 0 375.493 5.392 50 0 GKAARN C[C@@](O)(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000077184174 222273667 /nfs/dbraw/zinc/27/36/67/222273667.db2.gz ZQDINCLWODHVLS-JOCHJYFZSA-N 0 0 399.412 5.010 50 0 GKAARN Cc1cc(C)cc(NC(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1 ZINC000079019437 222299658 /nfs/dbraw/zinc/29/96/58/222299658.db2.gz DAROHBFEANPJFR-NRFANRHFSA-N 0 0 392.478 5.592 50 0 GKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1c1ncnc2cccc(F)c21 ZINC000079048034 222301671 /nfs/dbraw/zinc/30/16/71/222301671.db2.gz PDOSSWVEORFSGZ-IBGZPJMESA-N 0 0 375.451 5.041 50 0 GKAARN FC(F)c1nc2ccccc2c(N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000079061734 222302515 /nfs/dbraw/zinc/30/25/15/222302515.db2.gz YAQQCQDEZMZJQK-MRXNPFEDSA-N 0 0 399.832 5.439 50 0 GKAARN O=C(Nc1nc2ccc(F)cc2s1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344302 222306283 /nfs/dbraw/zinc/30/62/83/222306283.db2.gz MZBCRDLHAIOKDW-OLZOCXBDSA-N 0 0 381.259 5.484 50 0 GKAARN Nc1c(Cl)cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1Cl ZINC000084502151 222315748 /nfs/dbraw/zinc/31/57/48/222315748.db2.gz DJQDSJNIOIGPGN-GHMZBOCLSA-N 0 0 389.204 5.337 50 0 GKAARN CC(C)c1oc([C@@H]2CCCN2c2cnc3ccccc3n2)nc1-c1ccccc1 ZINC000084622418 222318112 /nfs/dbraw/zinc/31/81/12/222318112.db2.gz LNGVTERJMAHVLI-FQEVSTJZSA-N 0 0 384.483 5.750 50 0 GKAARN O=C(Oc1cccc2cccnc21)c1cn(CC2CCCCC2)c2ccccc12 ZINC000095705078 222358962 /nfs/dbraw/zinc/35/89/62/222358962.db2.gz RHYGTJXOHOGQGI-UHFFFAOYSA-N 0 0 384.479 5.989 50 0 in-vitro GKAARN Clc1cccc(Cl)c1-c1nc2c([nH]1)c1ccccc1nc2Br ZINC000095829776 222361095 /nfs/dbraw/zinc/36/10/95/222361095.db2.gz YAFOWRZTJQWWQK-UHFFFAOYSA-N 0 0 393.071 5.847 50 0 GKAARN Fc1cccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](c3cccs3)C2)c1 ZINC000095946405 222362952 /nfs/dbraw/zinc/36/29/52/222362952.db2.gz XWLIFHMTQHCANV-LJQANCHMSA-N 0 0 395.528 5.113 50 0 GKAARN O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(Cl)c1SC(F)F ZINC000095958469 222364586 /nfs/dbraw/zinc/36/45/86/222364586.db2.gz BFHZFDAHTMEAGQ-UHFFFAOYSA-N 0 0 394.830 5.491 50 0 GKAARN COc1ccc(C[S@](=O)[C@H](C)c2cccs2)cc1SC(F)(F)F ZINC000095962088 222365006 /nfs/dbraw/zinc/36/50/06/222365006.db2.gz OKNWIZHOQRDXDU-DJNLSKAYSA-N 0 0 380.478 5.379 50 0 GKAARN O=C(O[C@H](c1cccc(F)c1)c1ccccn1)c1cc(F)c(Cl)cc1F ZINC000095979093 222367291 /nfs/dbraw/zinc/36/72/91/222367291.db2.gz KXVAIYAEYMIZKI-GOSISDBHSA-N 0 0 377.749 5.099 50 0 GKAARN FC(F)(F)c1cc(NCc2c[nH]nc2-c2cccnc2)cc(C(F)(F)F)c1 ZINC000095996677 222368647 /nfs/dbraw/zinc/36/86/47/222368647.db2.gz KCOAENWKJOCCCU-UHFFFAOYSA-N 0 0 386.299 5.121 50 0 GKAARN CC[C@H](NC(=O)Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccncc1 ZINC000096013042 222370771 /nfs/dbraw/zinc/37/07/71/222370771.db2.gz DOMUKNBNJLPUSG-NRFANRHFSA-N 0 0 399.454 5.090 50 0 GKAARN O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000096115760 222382808 /nfs/dbraw/zinc/38/28/08/222382808.db2.gz WKDKEJXRLAOWAZ-QFIPXVFZSA-N 0 0 389.474 5.305 50 0 biogenic GKAARN O=C(Nc1cccs1)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119764 222383923 /nfs/dbraw/zinc/38/39/23/222383923.db2.gz MDACKGNMCDGDLP-UHFFFAOYSA-N 0 0 382.470 5.094 50 0 GKAARN O=C(Nc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119712 222383976 /nfs/dbraw/zinc/38/39/76/222383976.db2.gz QFHUOMJXSLGSNW-UHFFFAOYSA-N 0 0 394.818 5.218 50 0 GKAARN O=C(c1cc(Br)cs1)N(Cc1ccoc1)Cc1cccs1 ZINC000096120653 222384308 /nfs/dbraw/zinc/38/43/08/222384308.db2.gz NIMCBNRBYFKHES-UHFFFAOYSA-N 0 0 382.304 5.008 50 0 GKAARN CCSc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000096180011 222394551 /nfs/dbraw/zinc/39/45/51/222394551.db2.gz GEBRHHUACFSAMF-KRWDZBQOSA-N 0 0 384.480 5.183 50 0 GKAARN Brc1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193787 222397340 /nfs/dbraw/zinc/39/73/40/222397340.db2.gz IBPNNRZRVJUPIX-UHFFFAOYSA-N 0 0 397.257 5.029 50 0 GKAARN CCc1cccc2c([C@@H](CC(=O)NCC(C)C)c3cc(C)ccc3F)c[nH]c21 ZINC000096290581 222408436 /nfs/dbraw/zinc/40/84/36/222408436.db2.gz FLAONEZKPDVMPS-IBGZPJMESA-N 0 0 380.507 5.472 50 0 GKAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCc1cccc(C)c1 ZINC000096280734 222408802 /nfs/dbraw/zinc/40/88/02/222408802.db2.gz VANWQKISONRWPX-UHFFFAOYSA-N 0 0 386.451 5.608 50 0 GKAARN Cc1ccc(-c2nocc2CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000096386658 222418173 /nfs/dbraw/zinc/41/81/73/222418173.db2.gz KNXZVEKTMCDHKW-UHFFFAOYSA-N 0 0 388.511 5.064 50 0 GKAARN CCc1ccc(NC(=O)NCc2c3ccccc3n(C)c2-c2cccs2)cc1 ZINC000096399076 222419175 /nfs/dbraw/zinc/41/91/75/222419175.db2.gz LPWXTFNYGCYSQX-UHFFFAOYSA-N 0 0 389.524 5.791 50 0 GKAARN FC(F)(F)c1cc(SCc2ccc(Cl)cc2)nc(-c2ccccn2)n1 ZINC000096592511 222423861 /nfs/dbraw/zinc/42/38/61/222423861.db2.gz JPVYVBHSPSLEBW-UHFFFAOYSA-N 0 0 381.810 5.503 50 0 GKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1Br ZINC000098073285 222453851 /nfs/dbraw/zinc/45/38/51/222453851.db2.gz UMVSUBOBARMKMR-UHFFFAOYSA-N 0 0 393.590 5.765 50 0 GKAARN Clc1ccc(-c2nc3n(n2)[C@H](c2ccccc2)CC(c2ccccc2)=N3)cc1 ZINC000100831233 222464089 /nfs/dbraw/zinc/46/40/89/222464089.db2.gz OYWCXXXITJMKCH-NRFANRHFSA-N 0 0 384.870 5.655 50 0 GKAARN COc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101032287 222466064 /nfs/dbraw/zinc/46/60/64/222466064.db2.gz HYLIEPAYTAEYAH-HSZRJFAPSA-N 0 0 383.451 5.110 50 0 GKAARN Cc1ccc(-c2cn3c(n2)c(=C2CCCCCN2)c(=O)n3-c2ccccc2)cc1C ZINC000102607635 222481483 /nfs/dbraw/zinc/48/14/83/222481483.db2.gz JVSIVQDWCIJATJ-UHFFFAOYSA-N 0 0 398.510 5.065 50 0 GKAARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccco1 ZINC000102602397 222482155 /nfs/dbraw/zinc/48/21/55/222482155.db2.gz DQFIDTFDTGZXND-FYSMJZIKSA-N 0 0 398.462 5.996 50 0 GKAARN COC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102860286 222486301 /nfs/dbraw/zinc/48/63/01/222486301.db2.gz QHBYRTQXEOTGFQ-QGZVFWFLSA-N 0 0 399.368 5.022 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)o1 ZINC000102910923 222487844 /nfs/dbraw/zinc/48/78/44/222487844.db2.gz UOIVLDFIKYDAEK-NQIIRXRSSA-N 0 0 382.822 5.623 50 0 GKAARN Fc1cc(-c2ccccc2NCc2csc([C@@H]3CCCO3)n2)cc(F)c1F ZINC000134868620 222526719 /nfs/dbraw/zinc/52/67/19/222526719.db2.gz MFCKOFVNBQMQDE-SFHVURJKSA-N 0 0 390.430 5.691 50 0 GKAARN C[C@H](Nc1ccc2c(c1)COC2)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000152702251 222528424 /nfs/dbraw/zinc/52/84/24/222528424.db2.gz PAGRIRYZSMNURA-NSHDSACASA-N 0 0 375.255 5.852 50 0 GKAARN C[C@H](Nc1ccc2c(c1)CC(=O)N2)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000152836354 222530852 /nfs/dbraw/zinc/53/08/52/222530852.db2.gz LFVSHSFYCCFCFF-JTQLQIEISA-N 0 0 388.254 5.316 50 0 GKAARN O=C(N1CCS[C@H](c2ccco2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000207008195 222570398 /nfs/dbraw/zinc/57/03/98/222570398.db2.gz YRRJWQXYUOPDPC-IBGZPJMESA-N 0 0 389.948 5.452 50 0 GKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCc2cccc(C)c2)cc1 ZINC000013356381 533720733 /nfs/dbraw/zinc/72/07/33/533720733.db2.gz QVXYRRNBDJAPBQ-UHFFFAOYSA-N 0 0 395.506 5.395 50 0 GKAARN COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2C(=O)c2cc(Cl)c[nH]2)cc1 ZINC000426582839 533764642 /nfs/dbraw/zinc/76/46/42/533764642.db2.gz PBZLOVDDWWCULP-OAQYLSRUSA-N 0 0 384.907 5.005 50 0 GKAARN CCN1c2ccc(NC(=O)c3cc(Cl)ccc3Cl)c3cccc(c23)C1=O ZINC000004072594 517658703 /nfs/dbraw/zinc/65/87/03/517658703.db2.gz RSXCLUBHEYWJTP-UHFFFAOYSA-N 0 0 385.250 5.379 50 0 GKAARN CCOCc1c2ccccc2oc1C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000007117232 517710089 /nfs/dbraw/zinc/71/00/89/517710089.db2.gz QIXQHLUCIOMCJP-CQSZACIVSA-N 0 0 394.496 5.412 50 0 GKAARN Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 ZINC000004969995 518188308 /nfs/dbraw/zinc/18/83/08/518188308.db2.gz LVYLTUPAUDMMDA-UHFFFAOYSA-N 0 0 393.446 5.320 50 0 GKAARN CC(C)N(c1ccccc1)c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000002652170 519664604 /nfs/dbraw/zinc/66/46/04/519664604.db2.gz IOPFXQHQHIWXSL-UHFFFAOYSA-N 0 0 389.568 5.762 50 0 GKAARN CCOc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCCCC3)nc21 ZINC000010187570 521437039 /nfs/dbraw/zinc/43/70/39/521437039.db2.gz KFAXDFYENXVSRC-UHFFFAOYSA-N 0 0 395.528 5.204 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2ccccn2)n1 ZINC000001035957 534594129 /nfs/dbraw/zinc/59/41/29/534594129.db2.gz LQTSSMRJMCRSTH-UHFFFAOYSA-N 0 0 388.279 6.142 50 0 GKAARN COc1cc(OC)c(NC(=O)CNc2ccccc2-c2ccccc2)cc1Cl ZINC000010185960 522801349 /nfs/dbraw/zinc/80/13/49/522801349.db2.gz XEAGSDIHHZNRGO-UHFFFAOYSA-N 0 0 396.874 5.075 50 0 GKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253501649 523114940 /nfs/dbraw/zinc/11/49/40/523114940.db2.gz IMNIZYXAQQBADI-XJXMMCRJSA-N 0 0 388.592 5.516 50 0 GKAARN CCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000009256509 523877135 /nfs/dbraw/zinc/87/71/35/523877135.db2.gz BVEBNRRMFYCELB-IBGZPJMESA-N 0 0 392.524 5.185 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 ZINC000248187069 523878836 /nfs/dbraw/zinc/87/88/36/523878836.db2.gz ILAQOQSBPKBDQK-FPOVZHCZSA-N 0 0 396.899 5.652 50 0 GKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc2ccccc2o1 ZINC000007596829 524442773 /nfs/dbraw/zinc/44/27/73/524442773.db2.gz UAEJEQPSGXQONL-UHFFFAOYSA-N 0 0 377.465 5.346 50 0 GKAARN COc1ccc(OC)c(/C=C/C(=O)N(Cc2cccs2)Cc2cccs2)c1 ZINC000006548433 524799033 /nfs/dbraw/zinc/79/90/33/524799033.db2.gz QAUXUTCBGDLTFV-JXMROGBWSA-N 0 0 399.537 5.069 50 0 GKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1 ZINC000000753339 524932609 /nfs/dbraw/zinc/93/26/09/524932609.db2.gz JQYREBXPZWEONB-JTSKRJEESA-N 0 0 390.458 5.183 50 0 GKAARN Cc1ccc(NC(=O)CSCCOc2ccc(Cl)cc2Cl)cc1C ZINC000002651838 525073771 /nfs/dbraw/zinc/07/37/71/525073771.db2.gz GYJNUMCXQPPZRI-UHFFFAOYSA-N 0 0 384.328 5.361 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)c5cccnc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000253499593 525348530 /nfs/dbraw/zinc/34/85/30/525348530.db2.gz KNXPPCLGHUVEJL-TVKFVVNRSA-N 0 0 393.527 5.139 50 0 biogenic GKAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)NCc1cccs1 ZINC000008185747 526578127 /nfs/dbraw/zinc/57/81/27/526578127.db2.gz XVAIGZAIMSJXKY-UHFFFAOYSA-N 0 0 396.462 5.424 50 0 GKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](C)[C@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000409413412 527117111 /nfs/dbraw/zinc/11/71/11/527117111.db2.gz CYQDBDOFCYSROZ-AWGNIQOWSA-N 0 0 386.576 5.722 50 0 GKAARN CC(C)C(=O)Nc1c2ccccc2oc1-c1cc(=O)oc2ccc(Cl)cc21 ZINC000101074594 527528666 /nfs/dbraw/zinc/52/86/66/527528666.db2.gz ZELWQJKEOPICBR-UHFFFAOYSA-N 0 0 381.815 5.454 50 0 GKAARN CCOC(=O)c1c(NC(=S)N2CCCCCC2)sc2c1CCCCCC2 ZINC000006595169 528132111 /nfs/dbraw/zinc/13/21/11/528132111.db2.gz JTNUWQRKNCWYSD-UHFFFAOYSA-N 0 0 394.606 5.157 50 0 GKAARN CC(C)c1noc2ncc(C(=O)Nc3cccc(/C=C\c4ccccn4)c3)cc21 ZINC000096935788 528515940 /nfs/dbraw/zinc/51/59/40/528515940.db2.gz FVGGLCOBVVLCKD-KTKRTIGZSA-N 0 0 384.439 5.164 50 0 GKAARN CCCc1cc(=O)oc2cc(OCc3noc(-c4ccc(Cl)cc4)n3)ccc12 ZINC000057963681 528570257 /nfs/dbraw/zinc/57/02/57/528570257.db2.gz LNHRYIYUIXYPJK-UHFFFAOYSA-N 0 0 396.830 5.028 50 0 GKAARN CCOc1cccc(-c2cccc(C(=O)N3CCCC[C@H]3CCCOC)c2)c1 ZINC000426399234 528626355 /nfs/dbraw/zinc/62/63/55/528626355.db2.gz NWSQPGNDABYDSK-QFIPXVFZSA-N 0 0 381.516 5.174 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Br)c1 ZINC000101101877 528891838 /nfs/dbraw/zinc/89/18/38/528891838.db2.gz IMWUKNRSDWRTAC-HXUWFJFHSA-N 0 0 397.316 6.321 50 0 GKAARN CC[C@H]1CCc2sc(C(=O)NCc3csc(-c4ccccc4)n3)cc2C1 ZINC000006489685 529259272 /nfs/dbraw/zinc/25/92/72/529259272.db2.gz ZUIVSWFTHQFILE-AWEZNQCLSA-N 0 0 382.554 5.317 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(CC)cc1)CO3 ZINC000002160518 535079161 /nfs/dbraw/zinc/07/91/61/535079161.db2.gz SBFHLTKGJIBXIP-UHFFFAOYSA-N 0 0 377.484 5.363 50 0 biogenic GKAARN CCc1cccc(NC(=O)c2csc(-c3ccnc(N4CCCCC4)c3)n2)c1 ZINC000064675970 535903392 /nfs/dbraw/zinc/90/33/92/535903392.db2.gz FNEVWYZAUWUHCS-UHFFFAOYSA-N 0 0 392.528 5.010 50 0 GKAARN CC[C@H](C)C(=O)N1c2c(C)cc(C)cc2-c2c(=S)ssc2C1(C)C ZINC000100131339 536111776 /nfs/dbraw/zinc/11/17/76/536111776.db2.gz QFHCNPQMUVIWIE-NSHDSACASA-N 0 0 377.600 6.451 50 0 GKAARN CCc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000002113710 536185296 /nfs/dbraw/zinc/18/52/96/536185296.db2.gz DJPSDAPLVUPIMV-UHFFFAOYSA-N 0 0 397.474 5.687 50 0 biogenic GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004084617 560193353 /nfs/dbraw/zinc/19/33/53/560193353.db2.gz DNVPQKQSNYMLRS-PAWLVPEASA-N 0 0 396.659 7.331 50 0 biogenic,in-vitro GKAARN O=c1oc2ccc(Cl)cc2c(-c2cnn(-c3ccccc3)c2)c1-c1ccccc1 ZINC000004473188 560198346 /nfs/dbraw/zinc/19/83/46/560198346.db2.gz CVQXLSJPTPZPQI-UHFFFAOYSA-N 0 0 398.849 5.966 50 0 biogenic,in-vitro GKAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(Br)cc1 ZINC000000623498 570211068 /nfs/dbraw/zinc/21/10/68/570211068.db2.gz ZUNAUNIOAOMADY-UHFFFAOYSA-N 0 0 392.256 5.016 50 0 GKAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccc(Cl)cc1 ZINC000000625310 570211081 /nfs/dbraw/zinc/21/10/81/570211081.db2.gz KJFFAOQESMMHHA-UHFFFAOYSA-N 0 0 397.714 5.946 50 0 GKAARN Cc1ccccc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626737 570211293 /nfs/dbraw/zinc/21/12/93/570211293.db2.gz RLRNSUKZCMTOAH-QGZVFWFLSA-N 0 0 399.321 5.883 50 0 GKAARN CCOCCOc1ccccc1CNc1ccc(OCCc2ccccc2)cc1 ZINC000019738292 570211733 /nfs/dbraw/zinc/21/17/33/570211733.db2.gz GVXKEUFFXQLWTO-UHFFFAOYSA-N 0 0 391.511 5.336 50 0 GKAARN CC[C@H](CNc1cccc(OCCCc2ccccc2)c1)Oc1cccc(C)c1 ZINC000019738509 570211786 /nfs/dbraw/zinc/21/17/86/570211786.db2.gz JGOSDFJUXGMQQN-XMMPIXPASA-N 0 0 389.539 6.276 50 0 GKAARN CCCCCCOc1cccc(NCCOc2ccc(C(C)(C)CC)cc2)c1 ZINC000019738341 570211824 /nfs/dbraw/zinc/21/18/24/570211824.db2.gz LOOIECMLJXVUHG-UHFFFAOYSA-N 0 0 383.576 6.824 50 0 GKAARN FC(F)(F)c1cccc(NCCCCOc2ccc(Cl)cc2Cl)c1 ZINC000019737615 570211875 /nfs/dbraw/zinc/21/18/75/570211875.db2.gz OABCIRIHVUYRTK-UHFFFAOYSA-N 0 0 378.221 6.283 50 0 GKAARN O=C(Cc1ccccc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000000641005 570213562 /nfs/dbraw/zinc/21/35/62/570213562.db2.gz OYGFCTDQTMOYEY-UHFFFAOYSA-N 0 0 377.296 5.222 50 0 GKAARN CC(C)(C)N(Cc1ccccc1)C(=O)CC[C@H]1CCCC[C@]1(O)c1ccccc1 ZINC000000644712 570213925 /nfs/dbraw/zinc/21/39/25/570213925.db2.gz HYVBUJLNKMUDJU-BVAGGSTKSA-N 0 0 393.571 5.672 50 0 GKAARN O=C(Nc1ccccc1Cl)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000000649033 570214254 /nfs/dbraw/zinc/21/42/54/570214254.db2.gz ZINJKFXCVSVFEX-UHFFFAOYSA-N 0 0 377.871 5.660 50 0 GKAARN COc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(OC)c1 ZINC000000650224 570214332 /nfs/dbraw/zinc/21/43/32/570214332.db2.gz ZBAAZFZDRLSOIT-OAQYLSRUSA-N 0 0 379.481 5.176 50 0 GKAARN COc1cc(NC(=O)c2sc3ccccc3c2Cl)c(OC)cc1Cl ZINC000000655515 570214719 /nfs/dbraw/zinc/21/47/19/570214719.db2.gz GFBQWOPHODRZPX-UHFFFAOYSA-N 0 0 382.268 5.478 50 0 GKAARN Cc1ccc(NC(=O)c2ccccc2Cl)c(NC(=O)c2ccccc2Cl)c1 ZINC000000656391 570214721 /nfs/dbraw/zinc/21/47/21/570214721.db2.gz RIVUABOXFZOFMP-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4)sc3n2)cc1 ZINC000000661528 570215075 /nfs/dbraw/zinc/21/50/75/570215075.db2.gz MCRZHNRTIIQISR-UHFFFAOYSA-N 0 0 389.480 5.115 50 0 GKAARN CCc1nnc(NC(=O)c2cc(-c3ccc(CC)cc3)nc3ccccc32)s1 ZINC000000670538 570215639 /nfs/dbraw/zinc/21/56/39/570215639.db2.gz MJCMFKZCAJHTNC-UHFFFAOYSA-N 0 0 388.496 5.130 50 0 GKAARN C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)C1 ZINC000000671983 570215666 /nfs/dbraw/zinc/21/56/66/570215666.db2.gz FPWUNRHULGHBOE-CQSZACIVSA-N 0 0 378.299 5.445 50 0 GKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000672013 570215753 /nfs/dbraw/zinc/21/57/53/570215753.db2.gz YZIZSUUBXMJWGC-UHFFFAOYSA-N 0 0 379.416 5.165 50 0 GKAARN Cc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1 ZINC000000673017 570215777 /nfs/dbraw/zinc/21/57/77/570215777.db2.gz XGFMFXZBGFMIJL-UHFFFAOYSA-N 0 0 382.419 5.191 50 0 GKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(COc2cccc3ccccc32)o1 ZINC000000672695 570215781 /nfs/dbraw/zinc/21/57/81/570215781.db2.gz AYESYZQFJPPERK-UHFFFAOYSA-N 0 0 391.854 5.595 50 0 GKAARN 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Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)c3ccccc32)cc1C ZINC000001465557 570232534 /nfs/dbraw/zinc/23/25/34/570232534.db2.gz XGCSWPIYLLBHHA-UHFFFAOYSA-N 0 0 383.451 5.428 50 0 GKAARN C[C@@H](c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000096879115 570232899 /nfs/dbraw/zinc/23/28/99/570232899.db2.gz VIVDXQJMDBBGIL-SFHVURJKSA-N 0 0 389.547 5.118 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000000983839 570232956 /nfs/dbraw/zinc/23/29/56/570232956.db2.gz WRJLPVGJNUSZDO-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Brc1cc(Br)c(-c2ccc(Br)cc2)o1 ZINC000000978644 570233043 /nfs/dbraw/zinc/23/30/43/570233043.db2.gz STIBOXNSWJKPPI-UHFFFAOYSA-N 0 0 380.861 5.234 50 0 GKAARN C[C@H](c1nc2ccccc2s1)N(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000048311907 570233327 /nfs/dbraw/zinc/23/33/27/570233327.db2.gz ZKJLBUXMHOLJLN-QGZVFWFLSA-N 0 0 389.524 5.463 50 0 GKAARN C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccc(OCc2ccccn2)cc1 ZINC000048311905 570233425 /nfs/dbraw/zinc/23/34/25/570233425.db2.gz 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ZINC000000995175 570234388 /nfs/dbraw/zinc/23/43/88/570234388.db2.gz AHWHGJKAKDJAFN-UHFFFAOYSA-N 0 0 386.520 6.449 50 0 GKAARN CCSc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 ZINC000000998430 570234414 /nfs/dbraw/zinc/23/44/14/570234414.db2.gz JRWRVANBHWMNBS-HNNXBMFYSA-N 0 0 387.555 5.122 50 0 GKAARN CC(C)CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)C1CC1 ZINC000048301642 570234426 /nfs/dbraw/zinc/23/44/26/570234426.db2.gz VTVFUIITYKBZPX-UHFFFAOYSA-N 0 0 383.467 5.120 50 0 GKAARN C[C@@H](NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)C(C)(C)C ZINC000023309215 570234554 /nfs/dbraw/zinc/23/45/54/570234554.db2.gz DGWWLOXANXQKIQ-MRXNPFEDSA-N 0 0 379.525 6.372 50 0 GKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000996414 570234561 /nfs/dbraw/zinc/23/45/61/570234561.db2.gz WOCRMJOCFLQUSI-JKSUJKDBSA-N 0 0 399.313 5.315 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001006658 570234690 /nfs/dbraw/zinc/23/46/90/570234690.db2.gz MLVGVHPPKXCZHU-UHFFFAOYSA-N 0 0 394.858 5.243 50 0 GKAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000001003956 570234714 /nfs/dbraw/zinc/23/47/14/570234714.db2.gz MAKNLIIFMCXOME-UHFFFAOYSA-N 0 0 386.495 5.084 50 0 GKAARN CCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1 ZINC000011613279 570234726 /nfs/dbraw/zinc/23/47/26/570234726.db2.gz JAJUDKIUDOQNFZ-UHFFFAOYSA-N 0 0 397.866 5.225 50 0 GKAARN Cc1ccc(CNC(=O)c2cc3c4ccccc4[nH]c3c(-c3ccccc3)n2)cc1 ZINC000006076859 570234978 /nfs/dbraw/zinc/23/49/78/570234978.db2.gz UGCRBVBSKPVJJN-UHFFFAOYSA-N 0 0 391.474 5.622 50 0 biogenic GKAARN O=C(Cc1csc(-c2ccccc2)n1)N[C@H](c1cccs1)c1ccccc1 ZINC000020019069 570235311 /nfs/dbraw/zinc/23/53/11/570235311.db2.gz XOAGOIRKLXDCIZ-NRFANRHFSA-N 0 0 390.533 5.320 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000001025161 570235505 /nfs/dbraw/zinc/23/55/05/570235505.db2.gz DXMJAFCXPUXXHU-UHFFFAOYSA-N 0 0 383.181 5.487 50 0 GKAARN COc1ccc(-c2csc(Sc3cc4cccc(OC)c4oc3=O)n2)cc1 ZINC000001019354 570235586 /nfs/dbraw/zinc/23/55/86/570235586.db2.gz 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/nfs/dbraw/zinc/23/65/95/570236595.db2.gz ZNWOMHIQNIJTOS-UHFFFAOYSA-N 0 0 384.321 5.686 50 0 GKAARN Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001034677 570236602 /nfs/dbraw/zinc/23/66/02/570236602.db2.gz KKMIGLMSGDXUEX-UHFFFAOYSA-N 0 0 398.466 5.310 50 0 GKAARN O=C(CCc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023309935 570236958 /nfs/dbraw/zinc/23/69/58/570236958.db2.gz JHSFWQDNTTXVLT-XMMPIXPASA-N 0 0 375.899 5.447 50 0 GKAARN C[C@H](NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1)C(C)(C)C ZINC000023309835 570236960 /nfs/dbraw/zinc/23/69/60/570236960.db2.gz BOIWEHMDVHFQLF-HNNXBMFYSA-N 0 0 381.907 5.357 50 0 GKAARN Fc1ccc(Cc2nc(CSc3cccc(Cl)c3)cs2)c(Cl)c1 ZINC000023309929 570237005 /nfs/dbraw/zinc/23/70/05/570237005.db2.gz VMXBINUDRPYUSW-UHFFFAOYSA-N 0 0 384.328 6.472 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)NCC(CC)CC)c3ccccc3n2)cc1 ZINC000023310183 570237008 /nfs/dbraw/zinc/23/70/08/570237008.db2.gz LGNQQVGUUBESSW-UHFFFAOYSA-N 0 0 376.500 5.467 50 0 GKAARN CC[C@@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000023309881 570237067 /nfs/dbraw/zinc/23/70/67/570237067.db2.gz BRZFGKAKMYUPDZ-RUZDIDTESA-N 0 0 398.550 5.114 50 0 GKAARN O=C(Nc1cccc(Cl)c1)n1nccc1-c1ccc(-c2cccs2)s1 ZINC000001039663 570237207 /nfs/dbraw/zinc/23/72/07/570237207.db2.gz FVPSJILLVFDRGN-UHFFFAOYSA-N 0 0 385.901 6.074 50 0 GKAARN O=C(Nc1ccc(N2CCC(n3cccc3)CC2)cc1)c1ccc(Cl)cc1 ZINC000001039849 570237226 /nfs/dbraw/zinc/23/72/26/570237226.db2.gz PQVDFAUCFQQZSX-UHFFFAOYSA-N 0 0 379.891 5.235 50 0 GKAARN O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000001040724 570237281 /nfs/dbraw/zinc/23/72/81/570237281.db2.gz MJHFHKLZUYWCOD-UHFFFAOYSA-N 0 0 376.214 6.177 50 0 GKAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)cc3n2)cc1OC ZINC000001040254 570237341 /nfs/dbraw/zinc/23/73/41/570237341.db2.gz BNAZAMMTBPPLGI-UHFFFAOYSA-N 0 0 399.372 5.099 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001042241 570237581 /nfs/dbraw/zinc/23/75/81/570237581.db2.gz 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/nfs/dbraw/zinc/23/87/67/570238767.db2.gz RESXZYYDIQDMIO-UHFFFAOYSA-N 0 0 376.840 6.008 50 0 GKAARN O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000006082904 570238787 /nfs/dbraw/zinc/23/87/87/570238787.db2.gz NVBMUSXARJBAMT-UHFFFAOYSA-N 0 0 390.442 6.414 50 0 GKAARN FC(F)(F)c1cnc(SCc2nnc(-c3cccs3)o2)c(Cl)c1 ZINC000006084626 570239579 /nfs/dbraw/zinc/23/95/79/570239579.db2.gz UYFKNWWOMPFNGF-UHFFFAOYSA-N 0 0 377.800 5.158 50 0 GKAARN C[C@@H]1CCCN(c2cc(C(=O)NCc3cccc(Cl)c3)c3ccccc3n2)C1 ZINC000023315645 570239758 /nfs/dbraw/zinc/23/97/58/570239758.db2.gz AOKHZAXGXMURQG-MRXNPFEDSA-N 0 0 393.918 5.055 50 0 GKAARN O=C(Nc1cc(Cl)ccc1O)c1cccc2c(Br)cccc12 ZINC000001066423 570240174 /nfs/dbraw/zinc/24/01/74/570240174.db2.gz DLTGSPPBZXGBCD-UHFFFAOYSA-N 0 0 376.637 5.214 50 0 GKAARN Cc1ccc(C)c(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1 ZINC000001068334 570240376 /nfs/dbraw/zinc/24/03/76/570240376.db2.gz BRJYOAQIQPWQMY-UHFFFAOYSA-N 0 0 396.446 5.500 50 0 GKAARN Cc1ccc(-c2cc(NC(=O)CCC3CCCC3)n(-c3ccccc3C)n2)cc1 ZINC000023314785 570240508 /nfs/dbraw/zinc/24/05/08/570240508.db2.gz ABIZUPJSQMXSGC-UHFFFAOYSA-N 0 0 387.527 6.065 50 0 GKAARN FC(F)(F)c1ccc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1 ZINC000023316162 570240603 /nfs/dbraw/zinc/24/06/03/570240603.db2.gz NEDDFSQLSSGUPB-UHFFFAOYSA-N 0 0 386.851 6.170 50 0 GKAARN C[C@@H]1CCCN(c2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)C1 ZINC000023314516 570240669 /nfs/dbraw/zinc/24/06/69/570240669.db2.gz SSOSEXFKEQCIKR-MRXNPFEDSA-N 0 0 393.918 5.055 50 0 GKAARN Clc1ccc(-c2nc(CSc3cccc(Cl)c3Cl)cs2)cc1 ZINC000023315208 570241037 /nfs/dbraw/zinc/24/10/37/570241037.db2.gz AAQNZPPSWZLPES-UHFFFAOYSA-N 0 0 386.756 7.063 50 0 GKAARN O=C1C[C@H](c2ccc(Cl)cc2)c2cc(Br)c3ccccc3c2N1 ZINC000001082733 570241517 /nfs/dbraw/zinc/24/15/17/570241517.db2.gz XESOEHWJIGWKHF-OAHLLOKOSA-N 0 0 386.676 5.730 50 0 GKAARN NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCCc1ccccc1 ZINC000001088176 570241541 /nfs/dbraw/zinc/24/15/41/570241541.db2.gz 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570242471 /nfs/dbraw/zinc/24/24/71/570242471.db2.gz ZLBVSLMDMBJJSR-UHFFFAOYSA-N 0 0 379.510 5.050 50 0 GKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000001112946 570242628 /nfs/dbraw/zinc/24/26/28/570242628.db2.gz GZUMNWOQNQIJNH-UHFFFAOYSA-N 0 0 396.446 5.234 50 0 GKAARN O=C(/C=C\c1ccc(Br)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000006094604 570242865 /nfs/dbraw/zinc/24/28/65/570242865.db2.gz UDCLVXIGIIRTMQ-SSZFMOIBSA-N 0 0 390.365 5.956 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1C ZINC000006278435 570242937 /nfs/dbraw/zinc/24/29/37/570242937.db2.gz MTQVIBMZMDRKTH-UHFFFAOYSA-N 0 0 396.446 5.500 50 0 GKAARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)Nc1cccc(Cl)c1 ZINC000001115232 570243024 /nfs/dbraw/zinc/24/30/24/570243024.db2.gz OUIYJEBWTORNRI-UHFFFAOYSA-N 0 0 395.677 5.536 50 0 GKAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(C)c1 ZINC000001118344 570243507 /nfs/dbraw/zinc/24/35/07/570243507.db2.gz PWBNLEGXIIAZJC-UHFFFAOYSA-N 0 0 394.544 5.128 50 0 GKAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@H]2c1ccc(C(C)C)cc1 ZINC000035170904 570243599 /nfs/dbraw/zinc/24/35/99/570243599.db2.gz SPSFTVBUKXGPNN-KRWDZBQOSA-N 0 0 379.891 5.432 50 0 GKAARN CC[C@@H](C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1 ZINC000001121716 570243847 /nfs/dbraw/zinc/24/38/47/570243847.db2.gz CCAZSASALFRQEB-OAQYLSRUSA-N 0 0 383.451 5.536 50 0 GKAARN Cc1cccc(C)c1N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000001122226 570243852 /nfs/dbraw/zinc/24/38/52/570243852.db2.gz DTBNUYMGJKZYRU-UHFFFAOYSA-N 0 0 385.511 5.384 50 0 GKAARN CC(=O)Nc1ccc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000001123734 570243905 /nfs/dbraw/zinc/24/39/05/570243905.db2.gz DZJKRRKKYSWOJE-UHFFFAOYSA-N 0 0 377.391 5.531 50 0 GKAARN CC(=O)c1ccc(COC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000001125071 570244168 /nfs/dbraw/zinc/24/41/68/570244168.db2.gz BDBTZUIFYMRVPV-UHFFFAOYSA-N 0 0 376.477 5.539 50 0 GKAARN CCC(=O)NC(=S)Nc1ccc(-c2nc3cc([C@@H](C)CC)ccc3o2)cc1 ZINC000001124392 570244233 /nfs/dbraw/zinc/24/42/33/570244233.db2.gz 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Cc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1F ZINC000020178429 570246420 /nfs/dbraw/zinc/24/64/20/570246420.db2.gz YVGPOCBPLWKKRL-FQEVSTJZSA-N 0 0 393.849 6.039 50 0 GKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001140965 570247834 /nfs/dbraw/zinc/24/78/34/570247834.db2.gz WGABCWCRFFJKFA-INIZCTEOSA-N 0 0 381.859 5.325 50 0 GKAARN Cc1cc(C)c(NC(=O)COc2ccc3cc(Br)ccc3c2)c(C)c1 ZINC000001141030 570247861 /nfs/dbraw/zinc/24/78/61/570247861.db2.gz QZVCIAMFBHBIPG-UHFFFAOYSA-N 0 0 398.300 5.545 50 0 GKAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000001145066 570248154 /nfs/dbraw/zinc/24/81/54/570248154.db2.gz XYEGLLYJJFDLAA-INIZCTEOSA-N 0 0 392.455 5.063 50 0 GKAARN CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1 ZINC000001146199 570248553 /nfs/dbraw/zinc/24/85/53/570248553.db2.gz KCLZBMYPIRWZNS-UHFFFAOYSA-N 0 0 394.544 5.011 50 0 GKAARN O=C(Nc1cccc2ccccc21)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001153048 570249181 /nfs/dbraw/zinc/24/91/81/570249181.db2.gz 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570250516 /nfs/dbraw/zinc/25/05/16/570250516.db2.gz UZDWYNJHUXQQGB-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN O=C(Nc1ccc2ccccc2c1)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000001157895 570250540 /nfs/dbraw/zinc/25/05/40/570250540.db2.gz VTBJQXUUWBNMCE-UHFFFAOYSA-N 0 0 384.218 5.505 50 0 GKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001158360 570250940 /nfs/dbraw/zinc/25/09/40/570250940.db2.gz QIBSILOGFFGVMM-UHFFFAOYSA-N 0 0 394.627 5.754 50 0 GKAARN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000001158521 570251025 /nfs/dbraw/zinc/25/10/25/570251025.db2.gz IXSRWSXSUAAPNR-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN COc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000001158786 570251218 /nfs/dbraw/zinc/25/12/18/570251218.db2.gz DCVDPKVXWSXWTO-UHFFFAOYSA-N 0 0 387.508 5.294 50 0 GKAARN CCc1cccc(CC)c1NC(=O)CCc1ccc(OC)c(Br)c1 ZINC000012822357 570251793 /nfs/dbraw/zinc/25/17/93/570251793.db2.gz PUFJWDRKHBOHAN-UHFFFAOYSA-N 0 0 390.321 5.154 50 0 GKAARN Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)sc2c1 ZINC000001162025 570251994 /nfs/dbraw/zinc/25/19/94/570251994.db2.gz QSASOMYEQDMWFO-SNVBAGLBSA-N 0 0 381.284 5.318 50 0 GKAARN O=c1c2ccc(OCc3nc4ccccc4s3)cc2occ1-c1ccccc1 ZINC000001504731 570252186 /nfs/dbraw/zinc/25/21/86/570252186.db2.gz WGSYFEJSXDTQQN-UHFFFAOYSA-N 0 0 385.444 5.649 50 0 biogenic GKAARN O=C(Nc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1)c1cccs1 ZINC000001165406 570252640 /nfs/dbraw/zinc/25/26/40/570252640.db2.gz PTHOGHNYFPWGPY-UHFFFAOYSA-N 0 0 392.814 5.184 50 0 GKAARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001172852 570253390 /nfs/dbraw/zinc/25/33/90/570253390.db2.gz OYCYKATZRSXGGX-UHFFFAOYSA-N 0 0 376.637 5.615 50 0 GKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)c1 ZINC000020394837 570253981 /nfs/dbraw/zinc/25/39/81/570253981.db2.gz FETQGIBHEOLNFE-UHFFFAOYSA-N 0 0 388.902 6.190 50 0 GKAARN CC(=O)c1cccc(N2COc3ccc4cc(Br)ccc4c3C2)c1 ZINC000001175959 570254083 /nfs/dbraw/zinc/25/40/83/570254083.db2.gz 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570255354 /nfs/dbraw/zinc/25/53/54/570255354.db2.gz BDGSSJVNXRVLLP-ZOOVNEQTSA-N 0 0 388.492 5.198 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1Br ZINC000001181455 570255510 /nfs/dbraw/zinc/25/55/10/570255510.db2.gz RNYKXSDVJXMXAC-UHFFFAOYSA-N 0 0 391.652 5.318 50 0 GKAARN CC(C)CC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001182847 570255858 /nfs/dbraw/zinc/25/58/58/570255858.db2.gz GSTPZHJUSSBTIO-UHFFFAOYSA-N 0 0 387.892 5.007 50 0 GKAARN O=c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Cl)cc2Cl)o1 ZINC000001182796 570255880 /nfs/dbraw/zinc/25/58/80/570255880.db2.gz SSOBRTHNWIIYPB-UHFFFAOYSA-N 0 0 397.055 5.438 50 0 GKAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)c(C)c1 ZINC000049001877 570256106 /nfs/dbraw/zinc/25/61/06/570256106.db2.gz DZJMOIDXGNIWTR-UHFFFAOYSA-N 0 0 399.882 5.049 50 0 GKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc1Cl ZINC000001185771 570256481 /nfs/dbraw/zinc/25/64/81/570256481.db2.gz HDLOEAJBFWHKJP-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(C)c(F)c2)n1 ZINC000049005444 570257259 /nfs/dbraw/zinc/25/72/59/570257259.db2.gz BJOBLVUEKUJJLK-UHFFFAOYSA-N 0 0 392.478 5.001 50 0 GKAARN CC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2)c1ccccc1 ZINC000001199877 570257382 /nfs/dbraw/zinc/25/73/82/570257382.db2.gz LMEONIJVZDOJFR-HOTGVXAUSA-N 0 0 398.572 5.130 50 0 GKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)C)c1 ZINC000049005597 570257549 /nfs/dbraw/zinc/25/75/49/570257549.db2.gz ZKQQMCIAGGXXTK-UHFFFAOYSA-N 0 0 376.504 5.287 50 0 GKAARN CCOc1ccc(-c2noc(Cc3nc(-c4ccc(C)c(C)c4)cs3)n2)cc1 ZINC000049006139 570257605 /nfs/dbraw/zinc/25/76/05/570257605.db2.gz VASNMLPTFFXRLV-UHFFFAOYSA-N 0 0 391.496 5.466 50 0 GKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000001204380 570257758 /nfs/dbraw/zinc/25/77/58/570257758.db2.gz LKUCXRGQKNNUCD-UHFFFAOYSA-N 0 0 396.805 5.548 50 0 GKAARN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000001207178 570258079 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CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000001218218 570258944 /nfs/dbraw/zinc/25/89/44/570258944.db2.gz ANRJFPYXMRBERK-UHFFFAOYSA-N 0 0 377.284 5.375 50 0 GKAARN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cc2ccccc2o1 ZINC000001216685 570258970 /nfs/dbraw/zinc/25/89/70/570258970.db2.gz CVILWHJPHXWLBJ-UHFFFAOYSA-N 0 0 388.810 6.147 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1 ZINC000001262033 570259640 /nfs/dbraw/zinc/25/96/40/570259640.db2.gz FIGPVBKLAFYECT-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN CC1(C)C[C@H](n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCC2)CCO1 ZINC000001252196 570259714 /nfs/dbraw/zinc/25/97/14/570259714.db2.gz FYOXBDIIJPHVCM-MRXNPFEDSA-N 0 0 396.556 5.071 50 0 GKAARN CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@@H](OC(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@H]1C ZINC000001303728 570260485 /nfs/dbraw/zinc/26/04/85/570260485.db2.gz PZMNGIFIOIFHAJ-BGTPIRGESA-N 0 0 382.500 5.141 50 0 GKAARN C[C@H](NC(=O)CCc1cccc(Cl)c1Cl)c1nc(C2CCCCC2)no1 ZINC000072303760 570260741 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0 GKAARN COc1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1OC ZINC000020603123 570270595 /nfs/dbraw/zinc/27/05/95/570270595.db2.gz VIRNQLQLPJXKTO-UHFFFAOYSA-N 0 0 399.372 5.181 50 0 GKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cc1 ZINC000020603219 570270650 /nfs/dbraw/zinc/27/06/50/570270650.db2.gz QOBJFBXYPUDVMJ-UHFFFAOYSA-N 0 0 383.373 5.481 50 0 GKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)cc1 ZINC000020602835 570270657 /nfs/dbraw/zinc/27/06/57/570270657.db2.gz IEBLTJYHEXYTSL-UHFFFAOYSA-N 0 0 395.409 5.351 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002165504 570270623 /nfs/dbraw/zinc/27/06/23/570270623.db2.gz ALGZBKPIWXPUKD-UHFFFAOYSA-N 0 0 382.691 6.022 50 0 GKAARN COc1cccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)c1 ZINC000020604267 570270936 /nfs/dbraw/zinc/27/09/36/570270936.db2.gz NNHARTPCEHIGFN-UHFFFAOYSA-N 0 0 383.373 5.481 50 0 GKAARN Cc1ccc(C)c(-n2c3nc(-c4ccco4)cc(C(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020604231 570270943 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CC(=O)O[C@H](C(=O)OC[C@@]1(c2ccccc2)CCC(=C(C)C)C1)c1ccccc1 ZINC000043198739 570271445 /nfs/dbraw/zinc/27/14/45/570271445.db2.gz KYDWEXULNKMZFA-UKILVPOCSA-N 0 0 392.495 5.292 50 0 GKAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(F)cc4)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000020607838 570271528 /nfs/dbraw/zinc/27/15/28/570271528.db2.gz VTBAPUUHNSNVFF-OJDLWFJTSA-N 0 0 392.514 5.745 50 0 GKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000020608231 570271569 /nfs/dbraw/zinc/27/15/69/570271569.db2.gz QMXBTLQBGCHKGD-UHFFFAOYSA-N 0 0 391.254 5.430 50 0 GKAARN Cc1ccc([C@@H](Sc2ccccc2N)[C@@H]2COc3ccccc3C2=O)cc1 ZINC000045027542 570271664 /nfs/dbraw/zinc/27/16/64/570271664.db2.gz RPAZNTXRONZBQU-WZONZLPQSA-N 0 0 375.493 5.302 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C(C)C)cc1 ZINC000100727484 570272069 /nfs/dbraw/zinc/27/20/69/570272069.db2.gz UFJAMOGBSPXGRZ-UYAOXDASSA-N 0 0 391.298 5.528 50 0 GKAARN CC(=O)Nc1ccc(OCCOc2ccc(-c3ccc(F)cc3F)cc2)cc1 ZINC000045068627 570272165 /nfs/dbraw/zinc/27/21/65/570272165.db2.gz AGKVTABMPOKHLN-UHFFFAOYSA-N 0 0 383.394 5.048 50 0 GKAARN C[C@@H]1C[C@H]2[C@H](C[C@]3(C)CC=C4C(C)(C)C=C[C@@]4(C)[C@]23O)[C@H]1OCc1ccccc1 ZINC000071786751 570272296 /nfs/dbraw/zinc/27/22/96/570272296.db2.gz DSBFCZZJLVCCHG-WWLRYJKDSA-N 0 0 392.583 5.918 50 0 GKAARN CCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)c(C)n1 ZINC000020615051 570272330 /nfs/dbraw/zinc/27/23/30/570272330.db2.gz UCFMDROCRXAZEG-UHFFFAOYSA-N 0 0 393.441 5.427 50 0 GKAARN CCOC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000002049931 570272401 /nfs/dbraw/zinc/27/24/01/570272401.db2.gz WIGAUBXJEGILDT-UHFFFAOYSA-N 0 0 395.462 5.731 50 0 GKAARN Brc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000002030652 570272414 /nfs/dbraw/zinc/27/24/14/570272414.db2.gz GHDBFGUOBVYEOV-UHFFFAOYSA-N 0 0 387.280 6.240 50 0 GKAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(CC)cc1)cc2C(F)F ZINC000020615249 570272468 /nfs/dbraw/zinc/27/24/68/570272468.db2.gz LJLSEFAZPCIWJX-UHFFFAOYSA-N 0 0 399.441 5.039 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CC[C@@H](C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl)c1ccccc1 ZINC000002073513 570273345 /nfs/dbraw/zinc/27/33/45/570273345.db2.gz FCTLJSCHSSHRBL-LJQANCHMSA-N 0 0 392.886 5.725 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)c3cccc(C)c3n2)cc1 ZINC000002078929 570273348 /nfs/dbraw/zinc/27/33/48/570273348.db2.gz HUMNCXZUILJWLN-UHFFFAOYSA-N 0 0 381.475 6.355 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)c3cccc(C)c3n2)cc1 ZINC000002078924 570273389 /nfs/dbraw/zinc/27/33/89/570273389.db2.gz VWCRCNHIRUORCU-UHFFFAOYSA-N 0 0 381.475 6.355 50 0 GKAARN CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2)c1ccccc1 ZINC000002070666 570273397 /nfs/dbraw/zinc/27/33/97/570273397.db2.gz QBWFYKKOKAEFMG-DOTOQJQBSA-N 0 0 399.556 5.570 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000002069688 570273426 /nfs/dbraw/zinc/27/34/26/570273426.db2.gz WQLUCFDWUZAWTR-UHFFFAOYSA-N 0 0 385.551 7.094 50 0 GKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)cc1 ZINC000002078749 570273480 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Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1C ZINC000002081504 570273702 /nfs/dbraw/zinc/27/37/02/570273702.db2.gz JZKKXBUAGKUUHT-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN COc1cc(NC(=O)CCCOc2ccc(Cl)cc2C)c(OC)cc1Cl ZINC000002080164 570273720 /nfs/dbraw/zinc/27/37/20/570273720.db2.gz USBUAPLQOLANQR-UHFFFAOYSA-N 0 0 398.286 5.117 50 0 GKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3c(C)cccc3C)c2C)cc1 ZINC000002081697 570273728 /nfs/dbraw/zinc/27/37/28/570273728.db2.gz ZKIVYIDPPWKHIJ-UHFFFAOYSA-N 0 0 380.491 6.388 50 0 GKAARN CC(C)OC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000002085506 570273943 /nfs/dbraw/zinc/27/39/43/570273943.db2.gz HEQROZJBVWXVIC-UHFFFAOYSA-N 0 0 391.920 5.488 50 0 GKAARN O=C(NCc1ccccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000005868689 570274060 /nfs/dbraw/zinc/27/40/60/570274060.db2.gz LMHXBSJLBXMTET-XMHGGMMESA-N 0 0 382.290 5.850 50 0 GKAARN Cc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)c(-c2nc3ccccc3[nH]2)c1 ZINC000115041344 570274122 /nfs/dbraw/zinc/27/41/22/570274122.db2.gz 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GKAARN Cc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1C ZINC000002128424 570275585 /nfs/dbraw/zinc/27/55/85/570275585.db2.gz ADZPUBJGQBPNGZ-UHFFFAOYSA-N 0 0 385.536 5.886 50 0 GKAARN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccc(Cl)cc2Cl)C1(C)C ZINC000002138506 570275880 /nfs/dbraw/zinc/27/58/80/570275880.db2.gz QCQAYMYUDXYUKY-RBUKOAKNSA-N 0 0 378.299 6.099 50 0 GKAARN CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2 ZINC000006043018 570275937 /nfs/dbraw/zinc/27/59/37/570275937.db2.gz LLBFHCQBAWVNIF-HNNXBMFYSA-N 0 0 379.566 5.737 50 0 GKAARN O=P(N=c1cccc[nH]1)(Oc1ccccc1Cl)Oc1ccccc1Cl ZINC000006132981 570276187 /nfs/dbraw/zinc/27/61/87/570276187.db2.gz QCSMSFNPEAFSSN-UHFFFAOYSA-N 0 0 395.182 6.066 50 0 GKAARN COC(=O)c1ccc(OC(=O)OC(C)(C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002149585 570276364 /nfs/dbraw/zinc/27/63/64/570276364.db2.gz PXYPBZYXNPAGFW-UHFFFAOYSA-N 0 0 390.435 5.591 50 0 GKAARN FC(F)(F)c1ccc(Oc2ccc(-c3nc(-c4ccccc4)cs3)cc2)nc1 ZINC000002151822 570276475 /nfs/dbraw/zinc/27/64/75/570276475.db2.gz KNOIABDPGHWQAR-UHFFFAOYSA-N 0 0 398.409 6.683 50 0 GKAARN Cc1c2cc(Cl)ccc2sc1C(=O)CSc1cc(C)c(Cl)cc1C ZINC000002150314 570276491 /nfs/dbraw/zinc/27/64/91/570276491.db2.gz BEQWRZHBYOUQTJ-UHFFFAOYSA-N 0 0 395.376 7.108 50 0 GKAARN CCCCCCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CCCC3 ZINC000005808022 570276702 /nfs/dbraw/zinc/27/67/02/570276702.db2.gz PNPITSAFUURUOZ-UHFFFAOYSA-N 0 0 396.604 6.453 50 0 GKAARN O=C(c1ccc(F)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000005770264 570276805 /nfs/dbraw/zinc/27/68/05/570276805.db2.gz SFQIHCSXNOJYNJ-OPYZQMCBSA-N 0 0 390.414 5.449 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl)c1ccco1 ZINC000005770348 570276823 /nfs/dbraw/zinc/27/68/23/570276823.db2.gz HPFULBQBXWUEMB-UHFFFAOYSA-N 0 0 375.211 5.091 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccccc1Cl ZINC000002170663 570276915 /nfs/dbraw/zinc/27/69/15/570276915.db2.gz GLMJUHDFVYPPNK-UHFFFAOYSA-N 0 0 396.874 5.471 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)OCCOc1ccc(Cl)cc1Cl ZINC000002171924 570276958 /nfs/dbraw/zinc/27/69/58/570276958.db2.gz XDQGGQQJGNUDCP-UHFFFAOYSA-N 0 0 394.176 5.640 50 0 GKAARN CCCCc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 ZINC000006553160 570277012 /nfs/dbraw/zinc/27/70/12/570277012.db2.gz NKIPJCSLGHSBTA-UHFFFAOYSA-N 0 0 376.456 5.435 50 0 GKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(F)cc3)cc21 ZINC000000623936 570277248 /nfs/dbraw/zinc/27/72/48/570277248.db2.gz XGRJDSYZWLIPHB-UHFFFAOYSA-N 0 0 393.208 5.008 50 0 GKAARN CCCCc1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000002177834 570277282 /nfs/dbraw/zinc/27/72/82/570277282.db2.gz DGOIFDIHQWFXIJ-UHFFFAOYSA-N 0 0 379.312 6.198 50 0 GKAARN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000002183242 570277440 /nfs/dbraw/zinc/27/74/40/570277440.db2.gz AETGODANFOWNFT-CQSZACIVSA-N 0 0 387.376 6.254 50 0 GKAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002183171 570277478 /nfs/dbraw/zinc/27/74/78/570277478.db2.gz DTJDOZYHVJWHNN-CYBMUJFWSA-N 0 0 384.570 5.320 50 0 GKAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002183170 570277549 /nfs/dbraw/zinc/27/75/49/570277549.db2.gz DTJDOZYHVJWHNN-ZDUSSCGKSA-N 0 0 384.570 5.320 50 0 GKAARN O=C1[C@H]2C=C(c3ccccc3)S[C@@]2(c2ccccc2)c2nc3ccccc3n21 ZINC000000626910 570277637 /nfs/dbraw/zinc/27/76/37/570277637.db2.gz NVDNIASDSUXYAW-HOYKHHGWSA-N 0 0 380.472 5.338 50 0 GKAARN C[S@](=O)Cc1ccc(Cl)c(NCc2ncc(-c3cccc(Cl)c3)o2)c1 ZINC000117332123 570277656 /nfs/dbraw/zinc/27/76/56/570277656.db2.gz LOXKBBOGNCFVIO-RUZDIDTESA-N 0 0 395.311 5.139 50 0 GKAARN O=C1[C@@H]2C=C(c3ccccc3)S[C@@]2(c2ccccc2)c2nc3ccccc3n21 ZINC000000626908 570277714 /nfs/dbraw/zinc/27/77/14/570277714.db2.gz NVDNIASDSUXYAW-MHECFPHRSA-N 0 0 380.472 5.338 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006154113 570278246 /nfs/dbraw/zinc/27/82/46/570278246.db2.gz HHAJTXCLHSDTMS-AWEZNQCLSA-N 0 0 391.858 5.289 50 0 GKAARN CCCCCOc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000002188040 570278252 /nfs/dbraw/zinc/27/82/52/570278252.db2.gz LMPWUNXAIYNYKU-UHFFFAOYSA-N 0 0 386.542 5.596 50 0 GKAARN Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccccc4)cs2)[C@H]3CCC1 ZINC000002192777 570278414 /nfs/dbraw/zinc/27/84/14/570278414.db2.gz YJHDJIKPDQRPFU-QFIPXVFZSA-N 0 0 385.536 5.971 50 0 GKAARN CCCCCn1c(C)c(CC(Cl)(Cl)Cl)c2c1CC(C)(C)CC2=O ZINC000002190703 570278425 /nfs/dbraw/zinc/27/84/25/570278425.db2.gz PSPFQTQYOUMMAT-UHFFFAOYSA-N 0 0 378.771 6.055 50 0 GKAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(C)c1 ZINC000035262648 570278554 /nfs/dbraw/zinc/27/85/54/570278554.db2.gz FXNGTAHBGRRVNB-NRFANRHFSA-N 0 0 382.554 5.013 50 0 GKAARN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4ccccc43)c2)cs1 ZINC000002200215 570278796 /nfs/dbraw/zinc/27/87/96/570278796.db2.gz JZTLAAXCFCRYMT-UHFFFAOYSA-N 0 0 380.494 5.073 50 0 aggregator GKAARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)Nc1cccnc1Cl ZINC000063784553 570278848 /nfs/dbraw/zinc/27/88/48/570278848.db2.gz AQGOMRZXMMCFMP-UHFFFAOYSA-N 0 0 390.830 5.720 50 0 GKAARN Cc1ccc(-c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000002200114 570278850 /nfs/dbraw/zinc/27/88/50/570278850.db2.gz XGZXBBCYMRKDIZ-UHFFFAOYSA-N 0 0 387.792 6.044 50 0 GKAARN Cn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 ZINC000002212418 570279089 /nfs/dbraw/zinc/27/90/89/570279089.db2.gz XLWYDRWMYALXBE-UHFFFAOYSA-N 0 0 394.725 5.190 50 0 GKAARN Clc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn32)c(Cl)c1 ZINC000002210149 570279096 /nfs/dbraw/zinc/27/90/96/570279096.db2.gz LDEDLRAKYAZLJW-UHFFFAOYSA-N 0 0 381.675 5.480 50 0 GKAARN Cc1ccc([C@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000002213031 570279165 /nfs/dbraw/zinc/27/91/65/570279165.db2.gz NWCPGCYUKHAKBA-JOCHJYFZSA-N 0 0 389.476 6.644 50 0 GKAARN CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(OC)c1 ZINC000002222482 570279444 /nfs/dbraw/zinc/27/94/44/570279444.db2.gz OMPLVFDOYOLUPN-UHFFFAOYSA-N 0 0 394.327 5.573 50 0 GKAARN CC(=O)Nc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000002217835 570279536 /nfs/dbraw/zinc/27/95/36/570279536.db2.gz WSOQWJBBKSJLPY-UHFFFAOYSA-N 0 0 399.498 5.530 50 0 GKAARN C[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020763738 570279675 /nfs/dbraw/zinc/27/96/75/570279675.db2.gz SWHIWRALFXKLCU-CQSZACIVSA-N 0 0 391.902 5.066 50 0 biogenic GKAARN Cc1cc2c(cc1C)N(C(=O)Nc1ccc(Br)cc1)C(C)(C)C=C2C ZINC000002230581 570279702 /nfs/dbraw/zinc/27/97/02/570279702.db2.gz RUYNDYZQJOJIDW-UHFFFAOYSA-N 0 0 399.332 6.300 50 0 GKAARN CCc1cc2c(cc1OCc1cccc(OC)c1)oc(=O)cc2-c1ccccc1 ZINC000002228523 570279729 /nfs/dbraw/zinc/27/97/29/570279729.db2.gz BVMFAPQUCUFOIU-UHFFFAOYSA-N 0 0 386.447 5.610 50 0 biogenic GKAARN CCn1c(Cc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002227565 570279833 /nfs/dbraw/zinc/27/98/33/570279833.db2.gz VSODMPUCMKNGKH-UHFFFAOYSA-N 0 0 384.523 5.279 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000012274732 570280214 /nfs/dbraw/zinc/28/02/14/570280214.db2.gz IHPFUEMNDDWGCQ-UHFFFAOYSA-N 0 0 383.831 5.337 50 0 GKAARN CCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(C)cc2)OC3=O)cc1 ZINC000012274520 570280334 /nfs/dbraw/zinc/28/03/34/570280334.db2.gz QDFOACFQXFCJSH-QHCPKHFHSA-N 0 0 385.463 5.264 50 0 GKAARN COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000101084404 570280891 /nfs/dbraw/zinc/28/08/91/570280891.db2.gz GKMQPALIGRTFDM-QHCPKHFHSA-N 0 0 380.451 5.010 50 0 GKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 ZINC000002282734 570281035 /nfs/dbraw/zinc/28/10/35/570281035.db2.gz DHTQDMPAALSGIW-UHFFFAOYSA-N 0 0 384.570 5.527 50 0 GKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3ccc(Cl)cc3C)sc1C(C)(C)N2 ZINC000002291563 570281154 /nfs/dbraw/zinc/28/11/54/570281154.db2.gz UWMBTVKRTFSJOB-UHFFFAOYSA-N 0 0 386.973 6.866 50 0 GKAARN CCC(CC)C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C ZINC000002291054 570281190 /nfs/dbraw/zinc/28/11/90/570281190.db2.gz BXQQFDNWTWCRGN-XMMPIXPASA-N 0 0 383.963 6.598 50 0 GKAARN CC1(C)Nc2ccc(OC(=O)c3ccccc3)cc2-c2c(=S)ssc21 ZINC000002289835 570281281 /nfs/dbraw/zinc/28/12/81/570281281.db2.gz QLQBTVRIXCPCJO-UHFFFAOYSA-N 0 0 385.535 6.086 50 0 GKAARN CC(C)COP(=O)(OCC(C)C)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002290130 570281376 /nfs/dbraw/zinc/28/13/76/570281376.db2.gz MZGBOEZQCVQTRV-NRFANRHFSA-N 0 0 375.449 6.336 50 0 GKAARN COc1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c(OC)c1 ZINC000002297557 570281504 /nfs/dbraw/zinc/28/15/04/570281504.db2.gz PONRPCQURXILMK-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN Cc1ccc(NC[C@@H](O)CN2c3ccccc3Sc3ccccc32)c(C)c1 ZINC000002297614 570281514 /nfs/dbraw/zinc/28/15/14/570281514.db2.gz XHHUKKMWEOPFDG-GOSISDBHSA-N 0 0 376.525 5.379 50 0 GKAARN COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)c3cc(C)ccc3n2)cc1 ZINC000002300838 570281531 /nfs/dbraw/zinc/28/15/31/570281531.db2.gz OLVPOOODFOXDLP-UHFFFAOYSA-N 0 0 383.447 5.746 50 0 GKAARN CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3OC)s2)c1 ZINC000002297082 570281536 /nfs/dbraw/zinc/28/15/36/570281536.db2.gz QAMMEGIMVPQMEF-UHFFFAOYSA-N 0 0 398.488 5.037 50 0 GKAARN C/C(=C\c1nsc(Nc2ccc(F)c(Cl)c2)n1)NCc1ccc(C)cc1 ZINC000101155697 570281528 /nfs/dbraw/zinc/28/15/28/570281528.db2.gz JKTMJGILZINUPF-UKTHLTGXSA-N 0 0 388.899 5.533 50 0 GKAARN O=c1c2ccccc2nc(Cc2ccccc2)n1-c1c(Cl)cccc1Cl ZINC000002301418 570281619 /nfs/dbraw/zinc/28/16/19/570281619.db2.gz XUBHRXULHMJOIE-UHFFFAOYSA-N 0 0 381.262 5.283 50 0 GKAARN FC(F)(F)c1cccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000002295709 570281632 /nfs/dbraw/zinc/28/16/32/570281632.db2.gz UNBZWIDYKJOPJW-UHFFFAOYSA-N 0 0 399.803 6.713 50 0 GKAARN COc1cccc(-n2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2Cl)c1 ZINC000002305719 570281882 /nfs/dbraw/zinc/28/18/82/570281882.db2.gz ZPDBKKGOSCHUSM-UHFFFAOYSA-N 0 0 397.261 5.368 50 0 GKAARN CC[C@H]1C(=O)[C@@H](CC)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000020806277 570281998 /nfs/dbraw/zinc/28/19/98/570281998.db2.gz SIHNWMZLNPZZLD-YRPNKDGESA-N 0 0 376.327 6.001 50 0 GKAARN COc1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000020851396 570282351 /nfs/dbraw/zinc/28/23/51/570282351.db2.gz WXBWPIAGSHCOIM-MRXNPFEDSA-N 0 0 382.257 5.085 50 0 GKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc2ccccc21 ZINC000015880231 570282423 /nfs/dbraw/zinc/28/24/23/570282423.db2.gz FPVSFHDKPVSUAD-UHFFFAOYSA-N 0 0 399.519 5.107 50 0 GKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc(F)cc1 ZINC000015880446 570282434 /nfs/dbraw/zinc/28/24/34/570282434.db2.gz LCRNDBHPVNDBAD-UHFFFAOYSA-N 0 0 375.399 5.712 50 0 GKAARN O=C(Nc1nonc1-c1cccs1)c1sc2cccc(Cl)c2c1Cl ZINC000006754765 570282458 /nfs/dbraw/zinc/28/24/58/570282458.db2.gz XHFZWPLIJRTDIL-UHFFFAOYSA-N 0 0 396.280 5.572 50 0 GKAARN CC(C)C(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000002320637 570282461 /nfs/dbraw/zinc/28/24/61/570282461.db2.gz BRAUWFQFNIPWKX-UHFFFAOYSA-N 0 0 383.451 5.055 50 0 GKAARN Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)c2c1 ZINC000002320949 570282521 /nfs/dbraw/zinc/28/25/21/570282521.db2.gz LDCHTLQMRPUPIO-UHFFFAOYSA-N 0 0 395.458 5.558 50 0 GKAARN CN1CCc2ccccc2[C@]12C[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101358586 570282809 /nfs/dbraw/zinc/28/28/09/570282809.db2.gz AQKKAFOHJNMXGQ-RBJSKKJNSA-N 0 0 391.514 6.095 50 0 GKAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1Cl ZINC000002328216 570282899 /nfs/dbraw/zinc/28/28/99/570282899.db2.gz KDPSNBJQOYZBIB-UHFFFAOYSA-N 0 0 392.311 5.247 50 0 GKAARN Cc1cc(C)cc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c1 ZINC000015881497 570282904 /nfs/dbraw/zinc/28/29/04/570282904.db2.gz IOWGCMWJDZAQEB-UHFFFAOYSA-N 0 0 388.471 5.070 50 0 GKAARN C[C@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000117409588 570283364 /nfs/dbraw/zinc/28/33/64/570283364.db2.gz QCEKTDNRMATHPN-JTQLQIEISA-N 0 0 394.315 5.020 50 0 GKAARN O=C1S[C@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000002344915 570283582 /nfs/dbraw/zinc/28/35/82/570283582.db2.gz LTUSSWFTWVUEBA-IBGZPJMESA-N 0 0 376.437 5.117 50 0 GKAARN Cc1ccc(C)c(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 ZINC000002355515 570283909 /nfs/dbraw/zinc/28/39/09/570283909.db2.gz CAUPNWNNFLAARN-UHFFFAOYSA-N 0 0 393.487 5.635 50 0 GKAARN Clc1ccccc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002354417 570283942 /nfs/dbraw/zinc/28/39/42/570283942.db2.gz XELNIWREOZZXAJ-UHFFFAOYSA-N 0 0 377.900 5.880 50 0 GKAARN O=C(Nc1ccn(Cc2ccccc2F)n1)/C(=C/c1ccccc1)c1ccccc1 ZINC000000652288 570283971 /nfs/dbraw/zinc/28/39/71/570283971.db2.gz RMVMVALNEXDIJD-OQKWZONESA-N 0 0 397.453 5.250 50 0 GKAARN CCSc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000015882507 570284118 /nfs/dbraw/zinc/28/41/18/570284118.db2.gz FFBODGTYGUFQFB-UHFFFAOYSA-N 0 0 390.533 6.328 50 0 GKAARN CN(C(=O)c1ccc(OC2CCCC2)cc1)[C@@H](Cc1ccccn1)C(C)(C)C ZINC000072306468 570284252 /nfs/dbraw/zinc/28/42/52/570284252.db2.gz GUQBMKRXVVXSFJ-QFIPXVFZSA-N 0 0 380.532 5.132 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000002360749 570284264 /nfs/dbraw/zinc/28/42/64/570284264.db2.gz OQHIPNBLPSXNGM-KRWDZBQOSA-N 0 0 382.290 5.938 50 0 GKAARN O=C(c1ccc(-c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000002372383 570284574 /nfs/dbraw/zinc/28/45/74/570284574.db2.gz 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570285347 /nfs/dbraw/zinc/28/53/47/570285347.db2.gz NHQDLULDZMSBRA-QFIPXVFZSA-N 0 0 379.479 5.010 50 0 GKAARN Cc1ccc2c(c1)ncc(-c1nnnn1-c1ccc(Cl)cc1)c2-c1ccccc1 ZINC000002389201 570285540 /nfs/dbraw/zinc/28/55/40/570285540.db2.gz CWGXMQKCEIMNQV-UHFFFAOYSA-N 0 0 397.869 5.506 50 0 GKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000020948008 570285683 /nfs/dbraw/zinc/28/56/83/570285683.db2.gz IKGMHLHFBRFZNO-MRXNPFEDSA-N 0 0 392.484 5.099 50 0 GKAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2c[nH]nc2-c2ccccc2)c1 ZINC000101901575 570286129 /nfs/dbraw/zinc/28/61/29/570286129.db2.gz WFGJNCVMHXRJAI-XXBNENTESA-N 0 0 398.491 5.381 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCCc3ccc(Cl)cc3)cc12 ZINC000002429272 570286560 /nfs/dbraw/zinc/28/65/60/570286560.db2.gz COZBIDJUQTWFIC-UHFFFAOYSA-N 0 0 395.915 5.021 50 0 GKAARN C[C@H](NC(=O)c1sc2nc(-c3cccs3)ccc2c1N)c1ccccc1 ZINC000000661099 570287245 /nfs/dbraw/zinc/28/72/45/570287245.db2.gz CKFUAFSTAXEQQQ-LBPRGKRZSA-N 0 0 379.510 5.098 50 0 GKAARN 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O=C(NC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 ZINC000005660382 570299327 /nfs/dbraw/zinc/29/93/27/570299327.db2.gz RNFVCIZBZSQHID-UHFFFAOYSA-N 0 0 390.552 5.281 50 0 GKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000002769158 570299745 /nfs/dbraw/zinc/29/97/45/570299745.db2.gz IKVNLXRHDXGGLU-YWZLYKJASA-N 0 0 392.930 6.172 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935048 570300030 /nfs/dbraw/zinc/30/00/30/570300030.db2.gz CCORRGDJRRHFBI-UHFFFAOYSA-N 0 0 393.368 5.568 50 0 GKAARN O=C(CCSc1nc2ccccc2s1)Nc1ccccc1C(F)(F)F ZINC000002773254 570300093 /nfs/dbraw/zinc/30/00/93/570300093.db2.gz JDPJYEWGDMRRFK-UHFFFAOYSA-N 0 0 382.432 5.436 50 0 GKAARN Cc1scc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC(C)C)c1C ZINC000002770580 570300171 /nfs/dbraw/zinc/30/01/71/570300171.db2.gz KOIUYBPYOQPUBL-UHFFFAOYSA-N 0 0 399.537 5.911 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCc1ccccc1 ZINC000002774024 570300505 /nfs/dbraw/zinc/30/05/05/570300505.db2.gz 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CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000002851755 570308675 /nfs/dbraw/zinc/30/86/75/570308675.db2.gz RQKLWADSKRWTHW-UHFFFAOYSA-N 0 0 389.933 5.086 50 0 GKAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)Nc1cccc(F)c1 ZINC000002851498 570308746 /nfs/dbraw/zinc/30/87/46/570308746.db2.gz TXIILSHWWMXRHT-UHFFFAOYSA-N 0 0 388.446 5.485 50 0 GKAARN Cc1nc2sc3c(c2c(Oc2ccc4c(C)cc(=O)oc4c2)n1)CCCC3 ZINC000000729873 570309106 /nfs/dbraw/zinc/30/91/06/570309106.db2.gz QNQGXAISPYPCEW-UHFFFAOYSA-N 0 0 378.453 5.086 50 0 GKAARN Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c1 ZINC000002853766 570309491 /nfs/dbraw/zinc/30/94/91/570309491.db2.gz KJOLIKARBBMTDO-UHFFFAOYSA-N 0 0 392.911 6.486 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccccc1C(F)(F)F ZINC000002856252 570309757 /nfs/dbraw/zinc/30/97/57/570309757.db2.gz XVNBYCYVPMNNQL-UHFFFAOYSA-N 0 0 382.451 5.820 50 0 GKAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cl)cc1Cl ZINC000002856253 570309771 /nfs/dbraw/zinc/30/97/71/570309771.db2.gz 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CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc([C@@H](C)CC)cc1 ZINC000002858922 570310755 /nfs/dbraw/zinc/31/07/55/570310755.db2.gz GMPNBOVHWZNVLT-HNAYVOBHSA-N 0 0 386.561 5.655 50 0 GKAARN CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000002858381 570310758 /nfs/dbraw/zinc/31/07/58/570310758.db2.gz IEIBBDSWMFCNOT-UHFFFAOYSA-N 0 0 388.316 5.145 50 0 GKAARN S=C(Nc1cccc(Cl)c1Cl)Nc1ccccc1Oc1ccccc1 ZINC000002859183 570311030 /nfs/dbraw/zinc/31/10/30/570311030.db2.gz LUOBQRLHFTYMLA-UHFFFAOYSA-N 0 0 389.307 6.595 50 0 GKAARN O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002859683 570311084 /nfs/dbraw/zinc/31/10/84/570311084.db2.gz MKUSZXBUCCKGBB-UHFFFAOYSA-N 0 0 381.391 5.402 50 0 GKAARN COc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1OC ZINC000002860817 570311314 /nfs/dbraw/zinc/31/13/14/570311314.db2.gz VKVKHGXYFJWJNL-UHFFFAOYSA-N 0 0 380.391 5.590 50 0 GKAARN FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000002861427 570311351 /nfs/dbraw/zinc/31/13/51/570311351.db2.gz 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CCCCOC(=O)c1ccc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cc1 ZINC000585152332 570320047 /nfs/dbraw/zinc/32/00/47/570320047.db2.gz QEQFWUZYUWVMCK-UHFFFAOYSA-N 0 0 393.508 5.933 50 0 GKAARN O=C(Nc1cccc(Br)c1)c1ccc(CSc2ccccc2)cc1 ZINC000002958877 570320140 /nfs/dbraw/zinc/32/01/40/570320140.db2.gz DJMWLCYJQLJALA-UHFFFAOYSA-N 0 0 398.325 5.994 50 0 GKAARN Cc1cc2c(cc1-c1ccnc3nc(-c4ccccc4)nn31)[C@@H](C)CC(C)(C)N2 ZINC000575473293 570320174 /nfs/dbraw/zinc/32/01/74/570320174.db2.gz UKRPFMQARPRWBY-INIZCTEOSA-N 0 0 383.499 5.464 50 0 GKAARN Cc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C ZINC000575473317 570320240 /nfs/dbraw/zinc/32/02/40/570320240.db2.gz YKWWDZPPADGDKR-HNNXBMFYSA-N 0 0 375.468 5.054 50 0 GKAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000002957711 570320301 /nfs/dbraw/zinc/32/03/01/570320301.db2.gz JXYJXIFBZNKALM-FQEVSTJZSA-N 0 0 383.278 5.760 50 0 aggregator GKAARN Cc1cc2c(cc1-c1ccnc3c(-c4ccccc4)cnn31)NC(C)(C)C[C@@H]2C ZINC000575473216 570320335 /nfs/dbraw/zinc/32/03/35/570320335.db2.gz NSPLGFRXTGBSPV-KRWDZBQOSA-N 0 0 382.511 6.069 50 0 GKAARN Cc1cccc(OP(=O)(Nc2ccc(Cl)cc2)Oc2cccc(C)c2)c1 ZINC000002963467 570320390 /nfs/dbraw/zinc/32/03/90/570320390.db2.gz GRQNXYUWEFJJRR-UHFFFAOYSA-N 0 0 387.803 6.635 50 0 GKAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002969278 570320762 /nfs/dbraw/zinc/32/07/62/570320762.db2.gz SWMYZDJDZKHLDD-UHFFFAOYSA-N 0 0 389.451 5.085 50 0 GKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2cc1C ZINC000023333346 570321032 /nfs/dbraw/zinc/32/10/32/570321032.db2.gz PPVCFDKJTKTGDA-WIBUTAKZSA-N 0 0 392.568 6.135 50 0 GKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccccc2Cl)c1 ZINC000002976491 570321129 /nfs/dbraw/zinc/32/11/29/570321129.db2.gz IDGMBCHSMSXQRS-FQEVSTJZSA-N 0 0 375.899 5.902 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000002976818 570321137 /nfs/dbraw/zinc/32/11/37/570321137.db2.gz ZQSKGWDPIVEPQI-UHFFFAOYSA-N 0 0 383.706 5.889 50 0 GKAARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1 ZINC000002979409 570321868 /nfs/dbraw/zinc/32/18/68/570321868.db2.gz UPYMTEYSKGQGND-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000002979721 570321893 /nfs/dbraw/zinc/32/18/93/570321893.db2.gz RPUQVJOHJUWEFC-UHFFFAOYSA-N 0 0 392.669 6.691 50 0 GKAARN CC(C)=C[C@@H]1[C@@H](C(=O)N(C)C2(C(=O)Nc3ccccc3)CCCCC2)C1(C)C ZINC000075279136 570321894 /nfs/dbraw/zinc/32/18/94/570321894.db2.gz BZOLXBWGQZZZSE-UXHICEINSA-N 0 0 382.548 5.025 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccs1 ZINC000002979140 570321912 /nfs/dbraw/zinc/32/19/12/570321912.db2.gz LFHGEGLUDLFOIV-UHFFFAOYSA-N 0 0 389.263 6.115 50 0 GKAARN CC(C)=C[C@@H]1[C@H](C(=O)N(C)C2(C(=O)Nc3ccccc3)CCCCC2)C1(C)C ZINC000075279132 570322016 /nfs/dbraw/zinc/32/20/16/570322016.db2.gz BZOLXBWGQZZZSE-WOJBJXKFSA-N 0 0 382.548 5.025 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000002981992 570322095 /nfs/dbraw/zinc/32/20/95/570322095.db2.gz XPBRELDIJFIFND-UHFFFAOYSA-N 0 0 383.706 5.889 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C)c1-c1ccccc1 ZINC000002982036 570322173 /nfs/dbraw/zinc/32/21/73/570322173.db2.gz AZJMLLWWPSPPHJ-UHFFFAOYSA-N 0 0 379.481 5.461 50 0 GKAARN Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Cl)cc1Cl ZINC000002982041 570322217 /nfs/dbraw/zinc/32/22/17/570322217.db2.gz IQQBCHUAVRIGGR-UHFFFAOYSA-N 0 0 381.259 5.817 50 0 GKAARN CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000017081343 570322265 /nfs/dbraw/zinc/32/22/65/570322265.db2.gz NOMDHNSQVPSCTL-JCGIZDLHSA-N 0 0 397.540 5.182 50 0 GKAARN COc1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000016293161 570322292 /nfs/dbraw/zinc/32/22/92/570322292.db2.gz UFRHPZRRKOVGFO-JOCHJYFZSA-N 0 0 379.887 6.083 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1 ZINC000002982522 570322466 /nfs/dbraw/zinc/32/24/66/570322466.db2.gz YCNSLGNODBPZOT-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN COc1cc(C=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1Cl ZINC000002983979 570322725 /nfs/dbraw/zinc/32/27/25/570322725.db2.gz UVFDZNIKIQYBPE-UHFFFAOYSA-N 0 0 376.880 5.307 50 0 GKAARN COc1ccccc1OCCCCOc1ccc(Br)cc1Cl ZINC000002984083 570322767 /nfs/dbraw/zinc/32/27/67/570322767.db2.gz LJPLTDPXJVDCSZ-UHFFFAOYSA-N 0 0 385.685 5.349 50 0 GKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(CCCC)cc2)cc1 ZINC000002983758 570322776 /nfs/dbraw/zinc/32/27/76/570322776.db2.gz LHEOUTWZEAZTHD-UHFFFAOYSA-N 0 0 384.545 5.335 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2ccccc21 ZINC000002984450 570323016 /nfs/dbraw/zinc/32/30/16/570323016.db2.gz NVFTWYKXFCAWGC-UHFFFAOYSA-N 0 0 380.472 6.369 50 0 GKAARN COc1cc(C=O)ccc1OCCCCOc1c(Cl)cc(C)cc1Cl ZINC000002985760 570323053 /nfs/dbraw/zinc/32/30/53/570323053.db2.gz ZXQDTJCIJFSWSA-UHFFFAOYSA-N 0 0 383.271 5.361 50 0 GKAARN COc1cc(C)ccc1OCCCCOc1ccc(C)cc1Br ZINC000002985270 570323063 /nfs/dbraw/zinc/32/30/63/570323063.db2.gz ANLJDFARBIBIKY-UHFFFAOYSA-N 0 0 379.294 5.313 50 0 GKAARN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023437801 570323152 /nfs/dbraw/zinc/32/31/52/570323152.db2.gz LRJBBDUJXMFWDG-UHFFFAOYSA-N 0 0 397.522 6.159 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCc3cccs3)cc2)c1 ZINC000023437385 570323349 /nfs/dbraw/zinc/32/33/49/570323349.db2.gz KSAAJBUIAGTFTR-UHFFFAOYSA-N 0 0 387.508 5.148 50 0 GKAARN Clc1cc(Br)ccc1OCCCOc1cccc2cccnc21 ZINC000002985787 570323350 /nfs/dbraw/zinc/32/33/50/570323350.db2.gz BMDPHICAGDIEPC-UHFFFAOYSA-N 0 0 392.680 5.499 50 0 GKAARN CC[C@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccccc1 ZINC000023448319 570323470 /nfs/dbraw/zinc/32/34/70/570323470.db2.gz NPBPIIQDPXVVEH-QFIPXVFZSA-N 0 0 399.469 5.811 50 0 GKAARN CC[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccccc1 ZINC000023448315 570323498 /nfs/dbraw/zinc/32/34/98/570323498.db2.gz NPBPIIQDPXVVEH-JOCHJYFZSA-N 0 0 399.469 5.811 50 0 GKAARN COc1cccc(OC)c1OCCCCn1c2ccccc2c2ccccc21 ZINC000002990864 570323544 /nfs/dbraw/zinc/32/35/44/570323544.db2.gz DNPCZQCZYQLLLC-UHFFFAOYSA-N 0 0 375.468 5.671 50 0 GKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)nc2c1 ZINC000002987880 570323576 /nfs/dbraw/zinc/32/35/76/570323576.db2.gz KEBXGBQEOVNGAA-UHFFFAOYSA-N 0 0 390.870 6.271 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@@H](C)c4ccccc4)cc3)sc2c1 ZINC000002988342 570323594 /nfs/dbraw/zinc/32/35/94/570323594.db2.gz GWQWYJGGLWITSO-QGZVFWFLSA-N 0 0 386.520 6.404 50 0 GKAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000023428595 570323698 /nfs/dbraw/zinc/32/36/98/570323698.db2.gz VIHCAANRTFIFOP-KRWDZBQOSA-N 0 0 397.478 5.243 50 0 GKAARN CCCC[C@H](CC)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000002990687 570323715 /nfs/dbraw/zinc/32/37/15/570323715.db2.gz PAQKWUIIWVFBSJ-INIZCTEOSA-N 0 0 398.503 5.111 50 0 GKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2cccc(C)c2)cc1 ZINC000023432259 570323717 /nfs/dbraw/zinc/32/37/17/570323717.db2.gz XBVYAEKIAIUORJ-UHFFFAOYSA-N 0 0 384.479 5.596 50 0 GKAARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCc1cccc2ccccc21 ZINC000023429977 570323765 /nfs/dbraw/zinc/32/37/65/570323765.db2.gz OUSXCDOJISSBGP-UHFFFAOYSA-N 0 0 376.843 5.387 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)oc3ccc2O1 ZINC000035310565 570323789 /nfs/dbraw/zinc/32/37/89/570323789.db2.gz GICDRBBNHIZWAI-BOCDNGFMSA-N 0 0 397.515 5.430 50 0 GKAARN Cc1cc(Cl)cc(C)c1OCCOCCn1c2ccccc2c2ccccc21 ZINC000002992028 570323980 /nfs/dbraw/zinc/32/39/80/570323980.db2.gz HLINUBUGYYLBJN-UHFFFAOYSA-N 0 0 393.914 6.160 50 0 GKAARN Clc1cc(Br)ccc1OCCOc1cccc2cccnc21 ZINC000002991414 570323983 /nfs/dbraw/zinc/32/39/83/570323983.db2.gz YHXDKAJQAJKBDP-UHFFFAOYSA-N 0 0 378.653 5.109 50 0 GKAARN Cc1cc(Br)cc(C)c1OCCCOc1cccc2cccnc21 ZINC000002991047 570324015 /nfs/dbraw/zinc/32/40/15/570324015.db2.gz YMEWKKNWIJFRBW-UHFFFAOYSA-N 0 0 386.289 5.462 50 0 GKAARN C[C@@H]1CCCN(c2nc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)C1 ZINC000023444114 570324020 /nfs/dbraw/zinc/32/40/20/570324020.db2.gz KOPBMKWDRPTRPR-LJQANCHMSA-N 0 0 379.507 6.200 50 0 GKAARN O=C(c1ccccc1F)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023438850 570324035 /nfs/dbraw/zinc/32/40/35/570324035.db2.gz OKTMBNMSVDZUJY-UHFFFAOYSA-N 0 0 394.833 5.463 50 0 GKAARN COc1cc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)ccc1F ZINC000023440553 570324050 /nfs/dbraw/zinc/32/40/50/570324050.db2.gz KSMDVFAYCGBBFY-UHFFFAOYSA-N 0 0 377.415 5.935 50 0 GKAARN COc1ccc(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)c(O)c1 ZINC000023440101 570324076 /nfs/dbraw/zinc/32/40/76/570324076.db2.gz QKBMOYAISHRAJV-UHFFFAOYSA-N 0 0 375.424 5.501 50 0 biogenic GKAARN Cc1ccc(-c2cc(NC(=O)c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1 ZINC000023443389 570324084 /nfs/dbraw/zinc/32/40/84/570324084.db2.gz VKEZBDFUFCQJOX-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN Cc1ccc(Cc2nc(CN(Cc3ccccc3)Cc3ccccc3)cs2)cc1 ZINC000023439265 570324103 /nfs/dbraw/zinc/32/41/03/570324103.db2.gz CABAPNPUFZDZEJ-UHFFFAOYSA-N 0 0 398.575 6.245 50 0 GKAARN C[C@H](NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)c1ccccc1 ZINC000023442207 570324136 /nfs/dbraw/zinc/32/41/36/570324136.db2.gz HVLSERDCJOMDJY-SFHVURJKSA-N 0 0 399.515 6.698 50 0 GKAARN CCCN(CC1CC1)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022641197 570324235 /nfs/dbraw/zinc/32/42/35/570324235.db2.gz VHSCHZLQUOFCRK-UHFFFAOYSA-N 0 0 381.585 6.725 50 0 GKAARN CC(C)COc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000002993197 570324348 /nfs/dbraw/zinc/32/43/48/570324348.db2.gz QWLHEHYHNSBDMQ-UHFFFAOYSA-N 0 0 395.886 6.419 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000023447501 570324485 /nfs/dbraw/zinc/32/44/85/570324485.db2.gz ALUDQWRRYOMAPE-UHFFFAOYSA-N 0 0 396.490 5.573 50 0 GKAARN CCCCc1cc(=O)oc2cc(OCc3ccccc3Br)ccc12 ZINC000002995682 570324571 /nfs/dbraw/zinc/32/45/71/570324571.db2.gz NBFZXNHVCIOFDU-UHFFFAOYSA-N 0 0 387.273 5.477 50 0 GKAARN Cc1oc2c(C)c(OCc3ccccc3)ccc2c(=O)c1-c1ccccc1Cl ZINC000002995592 570324582 /nfs/dbraw/zinc/32/45/82/570324582.db2.gz RWGUZIUHLBPFNA-UHFFFAOYSA-N 0 0 390.866 6.309 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1Cl ZINC000002995166 570324602 /nfs/dbraw/zinc/32/46/02/570324602.db2.gz ZTFHKVWXQCLEGP-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 ZINC000002998314 570324954 /nfs/dbraw/zinc/32/49/54/570324954.db2.gz YPMUPEQBNNRVSP-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000002998962 570325166 /nfs/dbraw/zinc/32/51/66/570325166.db2.gz QDBIUNVRYDPWIS-UHFFFAOYSA-N 0 0 382.685 5.045 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)c1sc(Nc2ccc(C)cc2C)nc1N ZINC000032947505 570325313 /nfs/dbraw/zinc/32/53/13/570325313.db2.gz SIQDXNWTWHJOHM-UHFFFAOYSA-N 0 0 376.485 5.106 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000002999986 570325469 /nfs/dbraw/zinc/32/54/69/570325469.db2.gz UYRDJUUQTNZINP-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN COc1cc(SC)ccc1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000002999359 570325497 /nfs/dbraw/zinc/32/54/97/570325497.db2.gz NSSDFHHCPFEMNG-UHFFFAOYSA-N 0 0 391.536 5.369 50 0 GKAARN CCCCSc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003003244 570325811 /nfs/dbraw/zinc/32/58/11/570325811.db2.gz RQAPGUKBWWGVPH-UHFFFAOYSA-N 0 0 375.537 6.349 50 0 GKAARN COc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000003002375 570325843 /nfs/dbraw/zinc/32/58/43/570325843.db2.gz FPDBEQLUZBQJRJ-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN CCOc1ccc(C(=O)c2sc(Nc3cc(Cl)ccc3C)nc2N)cc1 ZINC000032947388 570325859 /nfs/dbraw/zinc/32/58/59/570325859.db2.gz WQQQDHYYIIOBAX-UHFFFAOYSA-N 0 0 387.892 5.060 50 0 GKAARN Cc1ccc(-c2c3c(N)c(C(=O)c4ccccc4)sc3nc3c2CCCC3)o1 ZINC000003014118 570326154 /nfs/dbraw/zinc/32/61/54/570326154.db2.gz BLMWGOBPLVFMKY-UHFFFAOYSA-N 0 0 388.492 5.557 50 0 GKAARN O=C(c1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000003012770 570326177 /nfs/dbraw/zinc/32/61/77/570326177.db2.gz ZBCNFUOPXDWBDE-UHFFFAOYSA-N 0 0 392.285 7.125 50 0 GKAARN Oc1ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(O)cc2O3)c(O)c1 ZINC000003009591 570326203 /nfs/dbraw/zinc/32/62/03/570326203.db2.gz OHUKSGHHFLUFPB-VWNXMTODSA-N 0 0 380.484 5.483 50 0 GKAARN O=C(Nc1ccccc1)N(c1nc(-c2ccccc2)cs1)C1=NCCCCC1 ZINC000022756606 570326358 /nfs/dbraw/zinc/32/63/58/570326358.db2.gz NXVZBLGCZSMQQU-UHFFFAOYSA-N 0 0 390.512 5.821 50 0 GKAARN COc1ccc(Nc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000003041421 570326953 /nfs/dbraw/zinc/32/69/53/570326953.db2.gz ORYFINIOJAGADP-UHFFFAOYSA-N 0 0 387.283 5.420 50 0 GKAARN O=C(Oc1ccc(Cl)cc1)c1ccccc1C(=O)Oc1ccc(Cl)cc1 ZINC000001673595 570327135 /nfs/dbraw/zinc/32/71/35/570327135.db2.gz JSMPAQWKJYNIKI-UHFFFAOYSA-N 0 0 387.218 5.432 50 0 GKAARN c1ccc2c(c1)SC(c1ccc(C3Sc4ccccc4S3)cc1)S2 ZINC000003051862 570327334 /nfs/dbraw/zinc/32/73/34/570327334.db2.gz LQJMGCZLJYTWES-UHFFFAOYSA-N 0 0 382.600 7.480 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1 ZINC000003078166 570327627 /nfs/dbraw/zinc/32/76/27/570327627.db2.gz JIZPHGKQETXYCO-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN O=C(Oc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000003083168 570327944 /nfs/dbraw/zinc/32/79/44/570327944.db2.gz HMOMVIJABVNTIR-UHFFFAOYSA-N 0 0 383.683 6.595 50 0 GKAARN CC(C)C(=O)Nc1cccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000034735471 570328013 /nfs/dbraw/zinc/32/80/13/570328013.db2.gz SWMRBHWTBBULFH-UHFFFAOYSA-N 0 0 393.531 5.237 50 0 GKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000011689924 570328184 /nfs/dbraw/zinc/32/81/84/570328184.db2.gz KTPPNTOBOCJKTB-UHFFFAOYSA-N 0 0 393.792 6.190 50 0 GKAARN COc1ccc(NC(C)=O)cc1Nc1nc(-c2ccsc2)nc2ccccc21 ZINC000022801532 570328816 /nfs/dbraw/zinc/32/88/16/570328816.db2.gz UWJLQTGTUJTUEQ-UHFFFAOYSA-N 0 0 390.468 5.069 50 0 GKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1ncc(Cc2ccccc2)s1 ZINC000011690497 570328929 /nfs/dbraw/zinc/32/89/29/570328929.db2.gz QWOITVSKFHOGNR-UHFFFAOYSA-N 0 0 388.492 5.565 50 0 GKAARN O=C(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1cccs1 ZINC000003125980 570329325 /nfs/dbraw/zinc/32/93/25/570329325.db2.gz OOYILCGYAVMKJW-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/34/64/45/570346445.db2.gz MQNZEJFJSSAGBQ-PMACEKPBSA-N 0 0 385.442 5.191 50 0 GKAARN CCCC[C@@H](CC)C(=O)Nc1c(-c2ccc(OC)cc2)nc2ccc(C)cn21 ZINC000034912783 570346512 /nfs/dbraw/zinc/34/65/12/570346512.db2.gz KCFIFMSMAXVALG-QGZVFWFLSA-N 0 0 379.504 5.473 50 0 GKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000034912809 570346535 /nfs/dbraw/zinc/34/65/35/570346535.db2.gz SJSHLIXWMWSDGA-UHFFFAOYSA-N 0 0 391.858 5.224 50 0 GKAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000034912835 570346543 /nfs/dbraw/zinc/34/65/43/570346543.db2.gz AOHAURMJVPGOSG-UHFFFAOYSA-N 0 0 395.384 5.581 50 0 GKAARN COc1ccc(-c2nc3ccccn3c2NC(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000034912725 570346565 /nfs/dbraw/zinc/34/65/65/570346565.db2.gz DOPCQWWYJGZEFQ-INIZCTEOSA-N 0 0 379.504 5.411 50 0 GKAARN CC[C@@H](C(=O)Nc1c(-c2ccc(OC)cc2)nc2ccccn21)c1ccccc1 ZINC000034912753 570346602 /nfs/dbraw/zinc/34/66/02/570346602.db2.gz LLMJNLWDTJIQLM-HXUWFJFHSA-N 0 0 385.467 5.142 50 0 GKAARN CCCC[C@H](CC)C(=O)Nc1c(-c2ccccc2OC)nc2ccc(C)cn21 ZINC000034912692 570346605 /nfs/dbraw/zinc/34/66/05/570346605.db2.gz XYIMGIIYOUSOAO-KRWDZBQOSA-N 0 0 379.504 5.473 50 0 GKAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000034912844 570346612 /nfs/dbraw/zinc/34/66/12/570346612.db2.gz DOFPAFOUFGGKQW-UHFFFAOYSA-N 0 0 396.277 5.869 50 0 GKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000034912760 570346618 /nfs/dbraw/zinc/34/66/18/570346618.db2.gz BNNWIPVWSWLDGR-QGZVFWFLSA-N 0 0 393.531 5.719 50 0 GKAARN CCCCc1ccc(-c2ccc(-c3nc(-c4ccccc4O)cs3)cc2)cc1 ZINC000219039778 570346665 /nfs/dbraw/zinc/34/66/65/570346665.db2.gz MUEMCIAKEVGOCG-UHFFFAOYSA-N 0 0 385.532 7.192 50 0 GKAARN CC[C@@H](C(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn21)c1ccccc1 ZINC000034913308 570347078 /nfs/dbraw/zinc/34/70/78/570347078.db2.gz MVXVXTPKOYZKJD-HXUWFJFHSA-N 0 0 387.458 5.581 50 0 GKAARN COc1cccc(-c2nc3ccccn3c2NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000034913379 570347265 /nfs/dbraw/zinc/34/72/65/570347265.db2.gz GKUAZOAGQSDCFQ-MRXNPFEDSA-N 0 0 379.504 5.411 50 0 GKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000003462995 570347313 /nfs/dbraw/zinc/34/73/13/570347313.db2.gz UNIWXMFSNRRLDE-QFIPXVFZSA-N 0 0 389.926 6.210 50 0 GKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000004853202 570347761 /nfs/dbraw/zinc/34/77/61/570347761.db2.gz JYDOPWLCTZLDRI-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN CCCc1cc(C(=O)OCC)c(NC(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000022646710 570348140 /nfs/dbraw/zinc/34/81/40/570348140.db2.gz VZGUGGNVTFTMRG-UHFFFAOYSA-N 0 0 386.300 5.436 50 0 GKAARN Cc1sc(NC(=O)/C=C\c2ccccc2Cl)c(C(=O)OC(C)C)c1C ZINC000033448980 570350559 /nfs/dbraw/zinc/35/05/59/570350559.db2.gz ZUYNCWRUOVIFKV-KTKRTIGZSA-N 0 0 377.893 5.235 50 0 GKAARN Clc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@H](c3ccccc3)C2)cc1 ZINC000004863799 570350592 /nfs/dbraw/zinc/35/05/92/570350592.db2.gz BDJVRERLPPLMQS-QHCPKHFHSA-N 0 0 383.882 6.317 50 0 GKAARN CCCn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000003876399 570352896 /nfs/dbraw/zinc/35/28/96/570352896.db2.gz OZKHQUYDTBWUCO-PTGBLXJZSA-N 0 0 382.463 5.801 50 0 GKAARN CCCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 ZINC000004875286 570352935 /nfs/dbraw/zinc/35/29/35/570352935.db2.gz BAPCDBQOXPRUQJ-UHFFFAOYSA-N 0 0 379.528 5.128 50 0 GKAARN C[C@@H]1CCc2c(sc3nc(CSc4ccc(Cl)cc4)nc(Cl)c32)C1 ZINC000003886946 570353253 /nfs/dbraw/zinc/35/32/53/570353253.db2.gz YKZAUHIOUPLVSV-SNVBAGLBSA-N 0 0 395.380 6.415 50 0 GKAARN CCCOc1ccc(Oc2nnc(-c3ccc4c(c3)CCC4)c3ccccc32)cc1 ZINC000006265032 570353367 /nfs/dbraw/zinc/35/33/67/570353367.db2.gz SYUGGJLYPXEFQC-UHFFFAOYSA-N 0 0 396.490 6.367 50 0 GKAARN Cc1cc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc12 ZINC000006266370 570353469 /nfs/dbraw/zinc/35/34/69/570353469.db2.gz MGVUKCKGWDFZJC-UHFFFAOYSA-N 0 0 392.311 5.284 50 0 GKAARN COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)C2=CNc2ccccc2)cc1 ZINC000100344757 570353737 /nfs/dbraw/zinc/35/37/37/570353737.db2.gz 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ZINC000004031154 570354870 /nfs/dbraw/zinc/35/48/70/570354870.db2.gz QUWMLQRKJPYULP-JOCHJYFZSA-N 0 0 396.412 6.070 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4cc(C)ccc4OC)sc3nc2c1 ZINC000004886343 570355253 /nfs/dbraw/zinc/35/52/53/570355253.db2.gz MANLORQXURYUGJ-UHFFFAOYSA-N 0 0 378.453 5.027 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1Cl ZINC000004034020 570355266 /nfs/dbraw/zinc/35/52/66/570355266.db2.gz XILOWMBGNMUXMG-UHFFFAOYSA-N 0 0 382.250 5.789 50 0 GKAARN Cc1ccc(CSCc2ccc(-c3nc(-c4ccc(C)cc4)no3)o2)cc1 ZINC000575615853 570355784 /nfs/dbraw/zinc/35/57/84/570355784.db2.gz JZTGLJKUESJTOI-UHFFFAOYSA-N 0 0 376.481 6.047 50 0 GKAARN CCSC1=N/C(=C\c2ccccc2C)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004882969 570355928 /nfs/dbraw/zinc/35/59/28/570355928.db2.gz BSHYYUWEGRLDNV-BOPFTXTBSA-N 0 0 386.904 5.154 50 0 GKAARN CCCSC1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883139 570355940 /nfs/dbraw/zinc/35/59/40/570355940.db2.gz OCZKUQGKIATEGZ-QGOAFFKASA-N 0 0 384.932 5.844 50 0 GKAARN CCCCSC1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883135 570355947 /nfs/dbraw/zinc/35/59/47/570355947.db2.gz GKDQYJMLPLAXGO-XMHGGMMESA-N 0 0 398.959 6.234 50 0 GKAARN Cc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCCC4)o2)cc1C ZINC000004887860 570356185 /nfs/dbraw/zinc/35/61/85/570356185.db2.gz SQJIBBOJPQUPBV-UHFFFAOYSA-N 0 0 378.497 5.207 50 0 GKAARN CC[C@]1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)=N1 ZINC000004890512 570357351 /nfs/dbraw/zinc/35/73/51/570357351.db2.gz JLYZOEJMMBETMT-FQEVSTJZSA-N 0 0 385.920 5.039 50 0 GKAARN Cc1cccc(Nc2nc(C(=O)NC3CCCCCCC3)nc3ccccc32)c1 ZINC000035429647 570357590 /nfs/dbraw/zinc/35/75/90/570357590.db2.gz LSDUIWVQDWYSNC-UHFFFAOYSA-N 0 0 388.515 5.525 50 0 GKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC23CCCCC3)cc1 ZINC000004891683 570357671 /nfs/dbraw/zinc/35/76/71/570357671.db2.gz RLWSJVGYXCUJKP-UHFFFAOYSA-N 0 0 376.525 5.236 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3cccc(Cl)c3)nc3ccccc32)cc1 ZINC000035429678 570357704 /nfs/dbraw/zinc/35/77/04/570357704.db2.gz BAHVPVUBMATTPF-UHFFFAOYSA-N 0 0 388.858 5.588 50 0 GKAARN CCOc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000035429713 570357756 /nfs/dbraw/zinc/35/77/56/570357756.db2.gz KXNLZTRZJRDEMX-UHFFFAOYSA-N 0 0 398.466 5.333 50 0 GKAARN Cc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000004891645 570357734 /nfs/dbraw/zinc/35/77/34/570357734.db2.gz RYCJNMRFIRAGAE-UHFFFAOYSA-N 0 0 394.515 5.457 50 0 GKAARN COc1ccc(C(C)=O)cc1CSc1nn(-c2ccccc2)c(=S)s1 ZINC000004892873 570358059 /nfs/dbraw/zinc/35/80/59/570358059.db2.gz VVHKNIINSMTNQW-UHFFFAOYSA-N 0 0 388.539 5.167 50 0 GKAARN CCc1ccc(Nc2nc(C(=O)N(C)Cc3ccccc3)nc3ccccc32)cc1 ZINC000035430015 570357955 /nfs/dbraw/zinc/35/79/55/570357955.db2.gz ZHMNNHHICXYGKB-UHFFFAOYSA-N 0 0 396.494 5.208 50 0 GKAARN CCc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000035429840 570358084 /nfs/dbraw/zinc/35/80/84/570358084.db2.gz WFAQBRUSPZKEON-UHFFFAOYSA-N 0 0 396.494 5.174 50 0 GKAARN CCOc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000035429894 570358096 /nfs/dbraw/zinc/35/80/96/570358096.db2.gz HSPLTNFXVBULKO-UHFFFAOYSA-N 0 0 384.439 5.024 50 0 GKAARN O[C@@]1(Cc2ccccc2)c2ccccc2-c2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000004114126 570358152 /nfs/dbraw/zinc/35/81/52/570358152.db2.gz ITZDZCBJMNNXPL-NSOVKSMOSA-N 0 0 392.498 5.228 50 0 GKAARN Cc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1Cl ZINC000035429906 570358122 /nfs/dbraw/zinc/35/81/22/570358122.db2.gz WXBXILDOBGCHQE-UHFFFAOYSA-N 0 0 388.858 5.588 50 0 GKAARN Cc1cc(C)c(NC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)c(C)c1 ZINC000035429925 570358124 /nfs/dbraw/zinc/35/81/24/570358124.db2.gz CWMMGNXMFVPVFB-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN CSc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000004114720 570358180 /nfs/dbraw/zinc/35/81/80/570358180.db2.gz ASBLIPBBLBCKOB-RCCKNPSSSA-N 0 0 385.492 5.213 50 0 GKAARN Fc1ccc([C@H]2CCc3nnc(Cc4ccccc4)n3-c3cc(F)ccc32)cc1 ZINC000004115631 570358197 /nfs/dbraw/zinc/35/81/97/570358197.db2.gz SKMSJYQFUZGGJN-HXUWFJFHSA-N 0 0 387.433 5.214 50 0 GKAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(F)cc1 ZINC000008132708 570358786 /nfs/dbraw/zinc/35/87/86/570358786.db2.gz AVAOFHAIQCJOEP-QMMMGPOBSA-N 0 0 375.778 5.394 50 0 GKAARN COc1ccc2cc3cc(C(=O)N(C)c4ccc(C)c(C)c4)sc3nc2c1 ZINC000004899914 570359180 /nfs/dbraw/zinc/35/91/80/570359180.db2.gz FIHVNGKYYAHGOV-UHFFFAOYSA-N 0 0 376.481 5.352 50 0 GKAARN CCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cccc(C)c1 ZINC000004899916 570359201 /nfs/dbraw/zinc/35/92/01/570359201.db2.gz IZVSRRPATBJWSL-UHFFFAOYSA-N 0 0 376.481 5.433 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2ccc(Br)cc2)c(Cl)c1 ZINC000006280446 570359665 /nfs/dbraw/zinc/35/96/65/570359665.db2.gz BOIIQJRBZLKHCF-UHFFFAOYSA-N 0 0 384.726 5.450 50 0 GKAARN Cc1nn([S@@](=O)c2ccc3ccccc3c2)c(C)c1Sc1ccc(C)cc1 ZINC000004146255 570359803 /nfs/dbraw/zinc/35/98/03/570359803.db2.gz LGDUGKUAFKFVNK-HHHXNRCGSA-N 0 0 392.549 5.684 50 0 GKAARN CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1cccc(C)c1 ZINC000004900937 570359924 /nfs/dbraw/zinc/35/99/24/570359924.db2.gz 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570360761 /nfs/dbraw/zinc/36/07/61/570360761.db2.gz MVRMHMPZJSBOKA-QGZVFWFLSA-N 0 0 389.307 5.238 50 0 GKAARN Cc1cc(C)n2c(nc(-c3ccc(O)cc3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000004904007 570361081 /nfs/dbraw/zinc/36/10/81/570361081.db2.gz HLXSLPWMSJGHLO-UHFFFAOYSA-N 0 0 398.388 5.481 50 0 GKAARN O=C1[C@H]2[C@@H](c3nc4cccc5cccc(c54)n31)C1c3ccccc3C2c2ccccc21 ZINC000004175990 570361212 /nfs/dbraw/zinc/36/12/12/570361212.db2.gz MCLNZCFUZHXWAW-WNZNVHFWSA-N 0 0 398.465 5.834 50 0 GKAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000004907968 570361605 /nfs/dbraw/zinc/36/16/05/570361605.db2.gz QUHQEXFHFRTHRA-UHFFFAOYSA-N 0 0 392.568 5.419 50 0 GKAARN Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccccc4C)cc32)cc1 ZINC000004908213 570361711 /nfs/dbraw/zinc/36/17/11/570361711.db2.gz DIDMEGFEKQPXIC-UHFFFAOYSA-N 0 0 388.536 5.668 50 0 GKAARN Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccc(F)cc4)cc32)cc1 ZINC000004908173 570361803 /nfs/dbraw/zinc/36/18/03/570361803.db2.gz UYZMFPHEYYYVBN-UHFFFAOYSA-N 0 0 392.499 5.499 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccccn3)c3cccc(Cl)c3n2)cc1 ZINC000006283983 570361913 /nfs/dbraw/zinc/36/19/13/570361913.db2.gz NHWMHLWGASISRR-UHFFFAOYSA-N 0 0 387.870 5.765 50 0 GKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cccc(Cl)c1 ZINC000004199422 570362704 /nfs/dbraw/zinc/36/27/04/570362704.db2.gz QFRHDLNAESTCAD-NRFANRHFSA-N 0 0 397.305 6.358 50 0 GKAARN Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccccc2F)cc1 ZINC000004211386 570362998 /nfs/dbraw/zinc/36/29/98/570362998.db2.gz TZAPRGPDGMDDQQ-UHFFFAOYSA-N 0 0 393.462 5.813 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccc2F)cc1 ZINC000004212771 570363045 /nfs/dbraw/zinc/36/30/45/570363045.db2.gz HRLVXVQTHDZJED-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN Cc1cc(C)cc(Nc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2)c1 ZINC000004911325 570363144 /nfs/dbraw/zinc/36/31/44/570363144.db2.gz WWQANLKGWLVOJD-GCJKJVERSA-N 0 0 387.527 5.904 50 0 GKAARN CCn1cc(CN(C(=S)Nc2ccc(C)cc2C)C(C)C)c2ccccc21 ZINC000004913419 570363478 /nfs/dbraw/zinc/36/34/78/570363478.db2.gz BAAYXYGKFFALHP-UHFFFAOYSA-N 0 0 379.573 5.885 50 0 GKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2cccc(C)c2)cc1 ZINC000004913359 570363503 /nfs/dbraw/zinc/36/35/03/570363503.db2.gz OQXVYPAJFUEPOF-HSZRJFAPSA-N 0 0 382.463 5.245 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(Cl)cc1 ZINC000004913116 570363533 /nfs/dbraw/zinc/36/35/33/570363533.db2.gz MJOGUZSBCWNVOJ-INIZCTEOSA-N 0 0 399.991 6.312 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cc(C)ccc1C ZINC000004913509 570363574 /nfs/dbraw/zinc/36/35/74/570363574.db2.gz JEFFSOCHMZSSMV-LJQANCHMSA-N 0 0 393.600 6.276 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(C)c(C)c1 ZINC000004913364 570363598 /nfs/dbraw/zinc/36/35/98/570363598.db2.gz CCYJJJJKVUVGSC-IBGZPJMESA-N 0 0 393.600 6.276 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(C)cc1C ZINC000004913443 570363608 /nfs/dbraw/zinc/36/36/08/570363608.db2.gz IGVVYHFZONITNX-IBGZPJMESA-N 0 0 393.600 6.276 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(C)c1 ZINC000004913640 570363808 /nfs/dbraw/zinc/36/38/08/570363808.db2.gz QTOTXJJFZVHOMN-SFHVURJKSA-N 0 0 379.573 5.967 50 0 GKAARN Fc1ccccc1Cn1c2cnccc2nc1SCc1cccc(Cl)c1 ZINC000004914693 570363866 /nfs/dbraw/zinc/36/38/66/570363866.db2.gz CPPXMDHUARKJHS-UHFFFAOYSA-N 0 0 383.879 5.564 50 0 GKAARN Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(Cl)cc2)c1 ZINC000004913629 570363915 /nfs/dbraw/zinc/36/39/15/570363915.db2.gz LRENLPRZOWFNNI-UHFFFAOYSA-N 0 0 379.916 5.734 50 0 GKAARN CCn1cc(CN(C(=S)Nc2c(C)cccc2C)C(C)C)c2ccccc21 ZINC000004913875 570363926 /nfs/dbraw/zinc/36/39/26/570363926.db2.gz KMLHZSCMAPVZPY-UHFFFAOYSA-N 0 0 379.573 5.885 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)o2)cc1C ZINC000023507617 570363977 /nfs/dbraw/zinc/36/39/77/570363977.db2.gz WSXPANBRDKYIMN-MRXNPFEDSA-N 0 0 398.453 5.389 50 0 GKAARN CCOc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004915011 570364025 /nfs/dbraw/zinc/36/40/25/570364025.db2.gz ZKGOKDREYQGPMG-QFIPXVFZSA-N 0 0 392.886 5.505 50 0 GKAARN COc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004914937 570364181 /nfs/dbraw/zinc/36/41/81/570364181.db2.gz AUZHIKOPBUAIAM-NRFANRHFSA-N 0 0 378.859 5.115 50 0 GKAARN CCc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915242 570364193 /nfs/dbraw/zinc/36/41/93/570364193.db2.gz NMCHBPSEHRUMOI-JOCHJYFZSA-N 0 0 376.887 5.669 50 0 GKAARN Cc1cc(C)cc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004915204 570364231 /nfs/dbraw/zinc/36/42/31/570364231.db2.gz IOHOUXZEYAPWTH-JOCHJYFZSA-N 0 0 376.887 5.724 50 0 GKAARN Cc1ccccc1NC(=S)N(Cc1c[nH]c2ccccc12)C1CCCCCC1 ZINC000004911908 570364281 /nfs/dbraw/zinc/36/42/81/570364281.db2.gz WNQUZZKTKJOZFB-UHFFFAOYSA-N 0 0 391.584 6.398 50 0 GKAARN Cc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)cc1C ZINC000004911949 570364316 /nfs/dbraw/zinc/36/43/16/570364316.db2.gz TXGAVEUTBVQHRY-UHFFFAOYSA-N 0 0 391.584 6.316 50 0 GKAARN CCc1cccc2c(C(=O)[C@H](NCc3ccc(C)cc3)c3ccccc3)c[nH]c21 ZINC000023508704 570364349 /nfs/dbraw/zinc/36/43/49/570364349.db2.gz XHVQPYTXDPJGQI-RUZDIDTESA-N 0 0 382.507 5.753 50 0 GKAARN CCc1cccc2c(C(=O)[C@@H](NCc3ccc(C)cc3)c3ccccc3)c[nH]c21 ZINC000023508701 570364356 /nfs/dbraw/zinc/36/43/56/570364356.db2.gz XHVQPYTXDPJGQI-VWLOTQADSA-N 0 0 382.507 5.753 50 0 GKAARN Cc1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)c1C ZINC000004912213 570364673 /nfs/dbraw/zinc/36/46/73/570364673.db2.gz CKLLLRSHSXCTRN-UHFFFAOYSA-N 0 0 391.584 6.316 50 0 GKAARN CN(Cc1cn(C)c2ccccc12)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000004912218 570364686 /nfs/dbraw/zinc/36/46/86/570364686.db2.gz HAKFLLPOPSEGJK-UHFFFAOYSA-N 0 0 378.328 5.314 50 0 GKAARN Cc1cc(C)c2c(n1)sc(C(=O)Nc1ccc(F)cc1F)c2-n1cccc1 ZINC000004912210 570364752 /nfs/dbraw/zinc/36/47/52/570364752.db2.gz LXAGLPZMXIANHC-UHFFFAOYSA-N 0 0 383.423 5.234 50 0 GKAARN c1ccc(-c2noc(-c3ccc(N4CC=C(c5ccccc5)CC4)nc3)n2)cc1 ZINC000035461198 570364845 /nfs/dbraw/zinc/36/48/45/570364845.db2.gz RNUCPLUDGGMFRO-UHFFFAOYSA-N 0 0 380.451 5.092 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cccc(C(F)(F)F)c2)nc1 ZINC000004917383 570365326 /nfs/dbraw/zinc/36/53/26/570365326.db2.gz UBXPADNRWIICPH-LJQANCHMSA-N 0 0 383.373 5.180 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1Br ZINC000004918466 570365706 /nfs/dbraw/zinc/36/57/06/570365706.db2.gz AZGNQLCNFOFSNK-HXUWFJFHSA-N 0 0 393.284 5.529 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000004918625 570365763 /nfs/dbraw/zinc/36/57/63/570365763.db2.gz GFWGQQKHMBNRSG-FQEVSTJZSA-N 0 0 382.385 5.785 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1C(F)(F)F)CCCC3 ZINC000000814739 570365836 /nfs/dbraw/zinc/36/58/36/570365836.db2.gz AHRNITGNTQAWMZ-UHFFFAOYSA-N 0 0 391.418 5.028 50 0 GKAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)NC1CCCCC1 ZINC000035476293 570366221 /nfs/dbraw/zinc/36/62/21/570366221.db2.gz PUTIDVOWSDMASA-UHFFFAOYSA-N 0 0 378.925 5.055 50 0 GKAARN Clc1ccc(-c2noc(-c3ccc(NCCC4=CCCCC4)nn3)n2)cc1 ZINC000035479194 570366242 /nfs/dbraw/zinc/36/62/42/570366242.db2.gz BCGDPMWDTXMNGL-UHFFFAOYSA-N 0 0 381.867 5.149 50 0 GKAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3ccccc3c2)cc1 ZINC000004301341 570366380 /nfs/dbraw/zinc/36/63/80/570366380.db2.gz GKFIGXUGTUBGNV-AOYPEHQESA-N 0 0 376.459 6.082 50 0 GKAARN Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1Cl ZINC000004301332 570366471 /nfs/dbraw/zinc/36/64/71/570366471.db2.gz ACULRJWGTZOXAO-SIKLNZKXSA-N 0 0 395.289 6.236 50 0 GKAARN Nc1ccccc1S[C@@H](CC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000004301221 570366496 /nfs/dbraw/zinc/36/64/96/570366496.db2.gz SYYBPBAHXRMMLZ-VWLOTQADSA-N 0 0 383.516 6.528 50 0 GKAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Cl)N1CCCCC1 ZINC000035478564 570366646 /nfs/dbraw/zinc/36/66/46/570366646.db2.gz SMEONNOOVQXRDH-UHFFFAOYSA-N 0 0 383.854 5.397 50 0 GKAARN N=c1scc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004307008 570366760 /nfs/dbraw/zinc/36/67/60/570366760.db2.gz YTZQCSAWTKZLGU-UHFFFAOYSA-N 0 0 399.235 5.467 50 0 GKAARN CC[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000118915727 570367007 /nfs/dbraw/zinc/36/70/07/570367007.db2.gz QBDHHZLEIBPNSS-LVEVNIPOSA-N 0 0 386.576 5.722 50 0 GKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C)[C@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915809 570367081 /nfs/dbraw/zinc/36/70/81/570367081.db2.gz CYQDBDOFCYSROZ-WHWNEZJHSA-N 0 0 386.576 5.722 50 0 GKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004310006 570367077 /nfs/dbraw/zinc/36/70/77/570367077.db2.gz VUSRMDMMSZSLNN-LADGPHEKSA-N 0 0 388.442 5.467 50 0 GKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004311610 570367183 /nfs/dbraw/zinc/36/71/83/570367183.db2.gz KLQZPKLIYCUYQS-UKILVPOCSA-N 0 0 384.479 5.636 50 0 GKAARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccccc1F ZINC000004312002 570367227 /nfs/dbraw/zinc/36/72/27/570367227.db2.gz KFZDZNBQLTWRQK-VWLOTQADSA-N 0 0 397.534 5.481 50 0 GKAARN Fc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1 ZINC000004315180 570367371 /nfs/dbraw/zinc/36/73/71/570367371.db2.gz HQVXFAPCMUIXSZ-NRFANRHFSA-N 0 0 385.269 6.488 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1cncc(-c2ccoc2)c1 ZINC000575619338 570367380 /nfs/dbraw/zinc/36/73/80/570367380.db2.gz DKIGDBJJNIVKQS-UHFFFAOYSA-N 0 0 382.463 5.180 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)C12CC4CC(CC(C4)C1)C2)CCCCC3 ZINC000004321114 570367503 /nfs/dbraw/zinc/36/75/03/570367503.db2.gz YNWBHFAYFAOZNL-UHFFFAOYSA-N 0 0 380.557 5.547 50 0 GKAARN O=S(=O)(Oc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1Cl ZINC000004321674 570367844 /nfs/dbraw/zinc/36/78/44/570367844.db2.gz KIVPAQOSHKOTLB-UHFFFAOYSA-N 0 0 395.263 5.553 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)n1nccc1C(c1ccccc1)c1ccccc1 ZINC000004323425 570367892 /nfs/dbraw/zinc/36/78/92/570367892.db2.gz RXGTUFKHMRUSFA-UHFFFAOYSA-N 0 0 387.870 5.797 50 0 GKAARN Cc1oc(C(C)(C)C)cc1C(=O)NCCSCc1c(F)cccc1Cl ZINC000004325004 570368196 /nfs/dbraw/zinc/36/81/96/570368196.db2.gz VIHLHTKPBSTOIK-UHFFFAOYSA-N 0 0 383.916 5.341 50 0 GKAARN Cc1cc2[nH]c(C(=O)NCCSCc3c(F)cccc3Cl)cc2c(C)c1 ZINC000004333797 570368628 /nfs/dbraw/zinc/36/86/28/570368628.db2.gz XUXQDYKBZXWCTF-UHFFFAOYSA-N 0 0 390.911 5.240 50 0 GKAARN Nc1c(C(=O)c2cccs2)oc2nc(-c3ccccc3)cc(-c3ccco3)c12 ZINC000004335014 570368975 /nfs/dbraw/zinc/36/89/75/570368975.db2.gz SUZBBXNTMAWFNX-UHFFFAOYSA-N 0 0 386.432 5.630 50 0 GKAARN O=C(c1ccc(F)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000004335046 570369045 /nfs/dbraw/zinc/36/90/45/570369045.db2.gz HFXMXVKBGKENEC-JTHBVZDNSA-N 0 0 388.417 5.129 50 0 GKAARN S=C(NC1CCCCC1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 ZINC000004334963 570369088 /nfs/dbraw/zinc/36/90/88/570369088.db2.gz QCJXVHCVRQZOHK-RXVVDRJESA-N 0 0 395.597 5.279 50 0 GKAARN CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2c3cccc4cccc(c34)[C@@H]12 ZINC000004334987 570369114 /nfs/dbraw/zinc/36/91/14/570369114.db2.gz SYZVGYQOFKBEKX-FPOVZHCZSA-N 0 0 376.843 5.071 50 0 GKAARN CSc1n[nH]c(-c2ccc(Cl)cc2)c1SC(=O)c1c(F)cccc1F ZINC000004335889 570369158 /nfs/dbraw/zinc/36/91/58/570369158.db2.gz QBQSMHSWXVSKEI-UHFFFAOYSA-N 0 0 396.871 5.663 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1c(Oc2ccccc2)nccc1C(F)(F)F ZINC000004335878 570369175 /nfs/dbraw/zinc/36/91/75/570369175.db2.gz HLLYYWIYLPFEJJ-UHFFFAOYSA-N 0 0 392.764 5.798 50 0 GKAARN Cc1cc(C)c2c(n1)sc1c2ncnc1Sc1nnc(-c2cccs2)o1 ZINC000004334935 570369207 /nfs/dbraw/zinc/36/92/07/570369207.db2.gz JZNNTJGTEIKUPY-UHFFFAOYSA-N 0 0 397.510 5.119 50 0 GKAARN O=C(OCCCCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000004336228 570369380 /nfs/dbraw/zinc/36/93/80/570369380.db2.gz UGBWNVRGAKEVSH-UHFFFAOYSA-N 0 0 387.690 6.053 50 0 GKAARN COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000004336668 570369515 /nfs/dbraw/zinc/36/95/15/570369515.db2.gz GQQJFRXXNIWPTF-JOCHJYFZSA-N 0 0 392.886 5.713 50 0 GKAARN Cc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCO4)n21 ZINC000004921908 570369611 /nfs/dbraw/zinc/36/96/11/570369611.db2.gz YUOPKESPFHZNLD-UHFFFAOYSA-N 0 0 395.821 5.575 50 0 GKAARN Clc1cccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)c1 ZINC000004921926 570369622 /nfs/dbraw/zinc/36/96/22/570369622.db2.gz 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570383418 /nfs/dbraw/zinc/38/34/18/570383418.db2.gz RFIXBVNDNXLBOI-UHFFFAOYSA-N 0 0 386.904 5.053 50 0 GKAARN Cc1ccsc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000004964418 570383669 /nfs/dbraw/zinc/38/36/69/570383669.db2.gz FKXYOFCARYNNAT-UHFFFAOYSA-N 0 0 390.558 6.865 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000004554529 570384015 /nfs/dbraw/zinc/38/40/15/570384015.db2.gz RUXOJDLVQZLPTQ-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(CSc2ccccn2)CC1 ZINC000090608066 570384071 /nfs/dbraw/zinc/38/40/71/570384071.db2.gz ZAOAWVFXYKFXCG-UHFFFAOYSA-N 0 0 395.450 5.137 50 0 GKAARN Cc1c(C(=O)N(Cc2ccco2)Cc2cccs2)sc2nc(C)nc(C)c12 ZINC000024462188 570384162 /nfs/dbraw/zinc/38/41/62/570384162.db2.gz FEQNHHYFDGHEKT-UHFFFAOYSA-N 0 0 397.525 5.114 50 0 GKAARN O=C(c1csc(-c2ccco2)n1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024473445 570384480 /nfs/dbraw/zinc/38/44/80/570384480.db2.gz WJICIJTUNGEZNO-UHFFFAOYSA-N 0 0 378.375 5.015 50 0 GKAARN Cc1ccc(-n2nc3c(c2-c2cccc(F)c2)-c2ccccc2CC3)cc1Cl ZINC000004568153 570385023 /nfs/dbraw/zinc/38/50/23/570385023.db2.gz XSEVIXXGHWTRNJ-UHFFFAOYSA-N 0 0 388.873 6.406 50 0 GKAARN Cc1ccc2c3c(cnc2c1)c(-c1ccccc1)nn3-c1ccc(C(C)(C)C)cc1 ZINC000004969946 570385051 /nfs/dbraw/zinc/38/50/51/570385051.db2.gz JDDJDSGYUSMIKS-UHFFFAOYSA-N 0 0 391.518 6.847 50 0 GKAARN Clc1ccccc1NNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004566128 570385064 /nfs/dbraw/zinc/38/50/64/570385064.db2.gz AEOKLWVUJTWADR-UHFFFAOYSA-N 0 0 384.910 6.249 50 0 GKAARN Cc1ccc2c(C)c(CCC(=O)Nc3c(C)cccc3C(C)C)c(=O)oc2c1 ZINC000012977881 570385063 /nfs/dbraw/zinc/38/50/63/570385063.db2.gz YJERPEXOMUHRRQ-UHFFFAOYSA-N 0 0 377.484 5.413 50 0 GKAARN Fc1cccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)c1 ZINC000004969986 570385119 /nfs/dbraw/zinc/38/51/19/570385119.db2.gz XNFZDJNFNPDREZ-UHFFFAOYSA-N 0 0 383.382 5.109 50 0 GKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004969999 570385128 /nfs/dbraw/zinc/38/51/28/570385128.db2.gz 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Cc1ccccc1CSC[C@@H]1COC(c2cccn2Cc2ccccc2C)=N1 ZINC000004970793 570386102 /nfs/dbraw/zinc/38/61/02/570386102.db2.gz MZYUIUDJFUAMEK-QFIPXVFZSA-N 0 0 390.552 5.232 50 0 GKAARN Cc1cccc(Cn2cccc2C2=N[C@@H](CSCc3ccccc3C)CO2)c1 ZINC000004970800 570386211 /nfs/dbraw/zinc/38/62/11/570386211.db2.gz UYZHTYOYQRFPJQ-JOCHJYFZSA-N 0 0 390.552 5.232 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CSc1ccc(-c2ccccc2Cl)nn1 ZINC000090610226 570386273 /nfs/dbraw/zinc/38/62/73/570386273.db2.gz FKEKIFBYCCSQFF-UHFFFAOYSA-N 0 0 393.899 6.053 50 0 GKAARN Cc1ccc(CSC[C@H]2COC(c3cccn3Cc3ccccc3F)=N2)cc1 ZINC000004970910 570386396 /nfs/dbraw/zinc/38/63/96/570386396.db2.gz YLQNSWRCLURAER-HXUWFJFHSA-N 0 0 394.515 5.063 50 0 GKAARN Cc1ccc(Cn2cccc2C2=N[C@@H](CSCc3ccc(F)cc3)CO2)cc1 ZINC000004970817 570386432 /nfs/dbraw/zinc/38/64/32/570386432.db2.gz PVYGAJVBDBZTOE-OAQYLSRUSA-N 0 0 394.515 5.063 50 0 GKAARN Cc1ccccc1CSC[C@@H]1COC(c2cccn2Cc2ccc(F)cc2)=N1 ZINC000004970825 570386448 /nfs/dbraw/zinc/38/64/48/570386448.db2.gz 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570386968 /nfs/dbraw/zinc/38/69/68/570386968.db2.gz FAQOQFZZPGUHQH-JOCHJYFZSA-N 0 0 395.458 5.267 50 0 GKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000004972068 570387014 /nfs/dbraw/zinc/38/70/14/570387014.db2.gz ZVYQNBJYONVHAK-UHFFFAOYSA-N 0 0 383.447 5.041 50 0 GKAARN Cc1ccc(CCNC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc1 ZINC000004972087 570387070 /nfs/dbraw/zinc/38/70/70/570387070.db2.gz OBSKBHAXFXMZFU-UHFFFAOYSA-N 0 0 397.474 5.049 50 0 GKAARN O=C(OC(c1ccccc1)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000004610475 570387429 /nfs/dbraw/zinc/38/74/29/570387429.db2.gz NIVYDHJHFACFBG-UHFFFAOYSA-N 0 0 392.454 6.257 50 0 GKAARN CCOc1ccc(C2=NN(c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004614212 570387592 /nfs/dbraw/zinc/38/75/92/570387592.db2.gz UXKOPFLVHVFDRA-HSZRJFAPSA-N 0 0 378.422 5.719 50 0 GKAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\Cc2ccccc2)cc1 ZINC000004614778 570388094 /nfs/dbraw/zinc/38/80/94/570388094.db2.gz SPIPLXQVPKKWIM-BZZOAKBMSA-N 0 0 390.939 6.269 50 0 GKAARN CCCc1cc([C@@H]2CCCN2C(=O)c2c(C)onc2-c2ccccc2Cl)no1 ZINC000035511197 570388294 /nfs/dbraw/zinc/38/82/94/570388294.db2.gz VPUICOYKXKWTAJ-SFHVURJKSA-N 0 0 399.878 5.221 50 0 GKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000006328826 570388308 /nfs/dbraw/zinc/38/83/08/570388308.db2.gz WVSHBKYDLFOSMI-UHFFFAOYSA-N 0 0 399.462 5.749 50 0 GKAARN O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1c1ccc(F)cc1 ZINC000004619718 570388354 /nfs/dbraw/zinc/38/83/54/570388354.db2.gz CXBNNHQQZLDAPS-IBGZPJMESA-N 0 0 387.241 5.904 50 0 GKAARN S=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000006322028 570388612 /nfs/dbraw/zinc/38/86/12/570388612.db2.gz LAJKRFRPPQQYIV-SFHVURJKSA-N 0 0 395.355 5.371 50 0 GKAARN O=C1C[C@@H](c2cccc(Br)c2)c2scc(-c3ccccc3)c2N1 ZINC000035511613 570388690 /nfs/dbraw/zinc/38/86/90/570388690.db2.gz XLQHPQKQTBEXQA-HNNXBMFYSA-N 0 0 384.298 5.652 50 0 GKAARN Cc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004632168 570389053 /nfs/dbraw/zinc/38/90/53/570389053.db2.gz 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ZINC000004659200 570390066 /nfs/dbraw/zinc/39/00/66/570390066.db2.gz IFFULFCOHKABIY-UHFFFAOYSA-N 0 0 380.658 5.818 50 0 GKAARN Cc1ccc([C@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@@H]3c2ccccc2)cc1 ZINC000004659035 570390083 /nfs/dbraw/zinc/39/00/83/570390083.db2.gz HBDPEZFBCAFRLQ-WYRQLCSISA-N 0 0 385.532 5.905 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccccc1Cl ZINC000035536354 570390521 /nfs/dbraw/zinc/39/05/21/570390521.db2.gz HVTPIKCYLGSJSN-UHFFFAOYSA-N 0 0 391.652 5.318 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000035536410 570390526 /nfs/dbraw/zinc/39/05/26/570390526.db2.gz CNMURCKCHBCRNK-UHFFFAOYSA-N 0 0 399.288 5.590 50 0 GKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1C ZINC000004660872 570390671 /nfs/dbraw/zinc/39/06/71/570390671.db2.gz GYYONLFFDRQVTB-ZDUSSCGKSA-N 0 0 383.513 5.284 50 0 GKAARN O=C1c2ccccc2[C@@H](Nc2ccc(F)cc2F)N1Cc1ccccc1Cl ZINC000004991992 570390707 /nfs/dbraw/zinc/39/07/07/570390707.db2.gz GTZSZRRYZHJNFS-FQEVSTJZSA-N 0 0 384.813 5.385 50 0 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/nfs/dbraw/zinc/39/11/87/570391187.db2.gz RSHOHECVSOZTSH-UHFFFAOYSA-N 0 0 378.427 5.804 50 0 GKAARN Cc1ccc(C2=NN(C(=S)NC3CCCCC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000004666118 570391195 /nfs/dbraw/zinc/39/11/95/570391195.db2.gz NTJCQHQOMHYXIJ-QHCPKHFHSA-N 0 0 391.584 5.662 50 0 GKAARN O=C(Oc1ccc(Sc2ccc(O)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004666486 570391216 /nfs/dbraw/zinc/39/12/16/570391216.db2.gz YEZRVBLLSIBQDM-UHFFFAOYSA-N 0 0 398.483 6.430 50 0 GKAARN Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000004666122 570391245 /nfs/dbraw/zinc/39/12/45/570391245.db2.gz CNFYQEQOIHOBOK-DEOSSOPVSA-N 0 0 399.563 5.529 50 0 GKAARN O=C(Nc1ccccc1Cl)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000006340993 570391399 /nfs/dbraw/zinc/39/13/99/570391399.db2.gz YQKKTVDZXSJLJP-UHFFFAOYSA-N 0 0 379.872 5.507 50 0 GKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004994138 570391569 /nfs/dbraw/zinc/39/15/69/570391569.db2.gz NXHUQYOXLFHNIK-OAQYLSRUSA-N 0 0 395.289 5.985 50 0 GKAARN Cc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4C)c(N)c3cc2c1 ZINC000004993998 570391682 /nfs/dbraw/zinc/39/16/82/570391682.db2.gz GJVKCALCOSTDGA-UHFFFAOYSA-N 0 0 381.888 5.554 50 0 GKAARN COCc1c2ccccc2oc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000006341763 570391854 /nfs/dbraw/zinc/39/18/54/570391854.db2.gz UPARVLMIZPBNHO-UHFFFAOYSA-N 0 0 378.453 5.263 50 0 GKAARN Cc1ccc(C)c(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 ZINC000006341955 570391934 /nfs/dbraw/zinc/39/19/34/570391934.db2.gz GTGNJYIYUOXUSL-UHFFFAOYSA-N 0 0 384.504 6.346 50 0 GKAARN O=c1oc2cc3oc4c(c3cc2c(-c2ccccc2)c1-c1ccccc1)CCCC4 ZINC000004669054 570391908 /nfs/dbraw/zinc/39/19/08/570391908.db2.gz SIUSHYHNPOMASY-UHFFFAOYSA-N 0 0 392.454 6.752 50 0 GKAARN CCOc1c(Br)cc(Cl)cc1NC(=O)C1(c2ccccc2)CC1 ZINC000024758404 570392008 /nfs/dbraw/zinc/39/20/08/570392008.db2.gz JTXVFTLJRFQRFM-UHFFFAOYSA-N 0 0 394.696 5.172 50 0 GKAARN Cc1ccc(C(=O)N2N[C@@H](c3ccccc3)[C@@H]3[C@H]2[C@@H](C(C)C)CC[C@@H]3C)cc1 ZINC000004671424 570392080 /nfs/dbraw/zinc/39/20/80/570392080.db2.gz QOEWZNWAJNTLTO-DEMACUESSA-N 0 0 376.544 5.384 50 0 GKAARN Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000004672059 570392121 /nfs/dbraw/zinc/39/21/21/570392121.db2.gz IZVTWYCHTYUOPE-STZFKDTASA-N 0 0 387.410 5.058 50 0 GKAARN Cc1ccc(/C=C/C(=O)n2nc(-c3ccccc3)c3c2[C@@H](C(C)C)CC[C@@H]3C)cc1 ZINC000004671465 570392146 /nfs/dbraw/zinc/39/21/46/570392146.db2.gz NOUFPOCYMCRHOK-OSBOTFJMSA-N 0 0 398.550 6.849 50 0 GKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)NC4CCCCC4)cc3)n2)c1 ZINC000035527206 570392539 /nfs/dbraw/zinc/39/25/39/570392539.db2.gz NNFCAYAVNNGPKC-UHFFFAOYSA-N 0 0 387.483 5.307 50 0 GKAARN O=C1c2ccccc2N[C@H](c2cc3ccccc3nc2Cl)N1Cc1ccccc1 ZINC000004678037 570392596 /nfs/dbraw/zinc/39/25/96/570392596.db2.gz GKFSHCZDAJNVFX-QHCPKHFHSA-N 0 0 399.881 5.655 50 0 GKAARN c1sc(C2CC2)nc1-c1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000035527595 570392813 /nfs/dbraw/zinc/39/28/13/570392813.db2.gz MYXOZKAIKFZUJN-UHFFFAOYSA-N 0 0 389.436 5.133 50 0 GKAARN CN1c2ccccc2C(C)(C)/C1=C/[P@@](=O)(C1CCCCC1)N1CCOCC1 ZINC000032690898 570392843 /nfs/dbraw/zinc/39/28/43/570392843.db2.gz BDGSSJVNXRVLLP-LXOAICFUSA-N 0 0 388.492 5.198 50 0 GKAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1(C)C ZINC000004686570 570393218 /nfs/dbraw/zinc/39/32/18/570393218.db2.gz XPCIBMOVRSBQDM-AZUAARDMSA-N 0 0 380.463 5.255 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000004689114 570393292 /nfs/dbraw/zinc/39/32/92/570393292.db2.gz VMANBEPRPGXBOG-UHFFFAOYSA-N 0 0 396.657 6.168 50 0 GKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000006333248 570393819 /nfs/dbraw/zinc/39/38/19/570393819.db2.gz YNUCFHCKNDIHOS-UHFFFAOYSA-N 0 0 386.520 6.513 50 0 GKAARN O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccccc1-c1ccccc1 ZINC000004694426 570393947 /nfs/dbraw/zinc/39/39/47/570393947.db2.gz AAUAVQUMLRAWKK-AREMUKBSSA-N 0 0 377.443 5.207 50 0 GKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000004699589 570394529 /nfs/dbraw/zinc/39/45/29/570394529.db2.gz QTBXOZZOYCEBGR-UHFFFAOYSA-N 0 0 385.507 6.004 50 0 GKAARN COc1cccc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000024830109 570394587 /nfs/dbraw/zinc/39/45/87/570394587.db2.gz POLHUCJIWYSUQQ-UHFFFAOYSA-N 0 0 396.490 5.491 50 0 GKAARN COc1ccc(C(C)=O)cc1CSCc1nc(-c2cccc(Cl)c2)no1 ZINC000032778666 570394792 /nfs/dbraw/zinc/39/47/92/570394792.db2.gz ZUXNTDIKGKLILX-UHFFFAOYSA-N 0 0 388.876 5.035 50 0 GKAARN C/C=C/c1ccc(OCCOCCOc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000004702012 570394910 /nfs/dbraw/zinc/39/49/10/570394910.db2.gz RUWNNAFFXHFDQZ-ONEGZZNKSA-N 0 0 397.298 5.510 50 0 GKAARN O=C(CN(c1nc2ccccc2s1)c1ccc(F)cc1)NC1CCCCC1 ZINC000006347143 570395068 /nfs/dbraw/zinc/39/50/68/570395068.db2.gz BGKBTRVYPRHNJZ-UHFFFAOYSA-N 0 0 383.492 5.022 50 0 GKAARN Fc1ccccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000004701333 570395057 /nfs/dbraw/zinc/39/50/57/570395057.db2.gz QEEOGEOQDPYGLZ-UHFFFAOYSA-N 0 0 385.247 5.387 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C\c1cc(Cl)ccc1OCc1ccccc1 ZINC000004701969 570395061 /nfs/dbraw/zinc/39/50/61/570395061.db2.gz KWYDUFSSJPKNOS-ZHZULCJRSA-N 0 0 389.838 5.264 50 0 GKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4ccc(F)cc4)ccc32)cc1 ZINC000004701016 570395093 /nfs/dbraw/zinc/39/50/93/570395093.db2.gz FGVBFZMGQHHTIX-UHFFFAOYSA-N 0 0 376.383 5.187 50 0 biogenic GKAARN CCOc1ccccc1NC(=O)Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000035553295 570395184 /nfs/dbraw/zinc/39/51/84/570395184.db2.gz AJFRHMWOFDCYGQ-UHFFFAOYSA-N 0 0 378.432 5.047 50 0 GKAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc2o1 ZINC000024837381 570395259 /nfs/dbraw/zinc/39/52/59/570395259.db2.gz PPQLMKIJFUMKKC-VIFPVBQESA-N 0 0 397.784 5.248 50 0 GKAARN Clc1cc(Br)ccc1OCc1nnc(/C=C\c2cccs2)o1 ZINC000033676038 570395430 /nfs/dbraw/zinc/39/54/30/570395430.db2.gz FCHQODDRGOLLKL-XQRVVYSFSA-N 0 0 397.681 5.296 50 0 GKAARN O=C(CNc1cccc2ccccc21)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000005012209 570395909 /nfs/dbraw/zinc/39/59/09/570395909.db2.gz HTCHKYNWBKGOGU-UHFFFAOYSA-N 0 0 391.471 5.077 50 0 GKAARN Cc1nn(-c2cccc(Cl)c2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000004705016 570395957 /nfs/dbraw/zinc/39/59/57/570395957.db2.gz LRNWAOMRAKWCJG-UHFFFAOYSA-N 0 0 393.821 6.130 50 0 GKAARN Cc1occc1C(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000024842957 570396038 /nfs/dbraw/zinc/39/60/38/570396038.db2.gz ORBLHRBJIRUCLM-GOSISDBHSA-N 0 0 399.372 5.003 50 0 GKAARN Cc1occc1C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000024842952 570396084 /nfs/dbraw/zinc/39/60/84/570396084.db2.gz ORBLHRBJIRUCLM-SFHVURJKSA-N 0 0 399.372 5.003 50 0 GKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NC4CCCCC4)n3)o2)cc1 ZINC000035560909 570396842 /nfs/dbraw/zinc/39/68/42/570396842.db2.gz LESFEBKPEJSIRE-UHFFFAOYSA-N 0 0 385.471 5.400 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1cccs1)c1ccsc1 ZINC000004709750 570396910 /nfs/dbraw/zinc/39/69/10/570396910.db2.gz KIIAGXCRQUKCBF-YBEGLDIGSA-N 0 0 379.428 6.008 50 0 GKAARN Clc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 ZINC000004717501 570397492 /nfs/dbraw/zinc/39/74/92/570397492.db2.gz LWVSFGAHOVDZMX-UHFFFAOYSA-N 0 0 395.702 5.263 50 0 GKAARN CCOc1ccc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc3cc(C)ccc3n2)cc1 ZINC000033688455 570397478 /nfs/dbraw/zinc/39/74/78/570397478.db2.gz QKWVIRDWXHUTGB-IVZQSRNASA-N 0 0 378.497 5.109 50 0 GKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(CC)c3)cc2s1 ZINC000032959412 570397631 /nfs/dbraw/zinc/39/76/31/570397631.db2.gz KWVVNWCRCARVLG-UHFFFAOYSA-N 0 0 395.528 5.169 50 0 GKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1ccccc1Cl ZINC000032960688 570397643 /nfs/dbraw/zinc/39/76/43/570397643.db2.gz PJCXDWBVGUCFAC-UHFFFAOYSA-N 0 0 375.859 5.254 50 0 GKAARN CC(=O)c1cccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)c1 ZINC000032960461 570397669 /nfs/dbraw/zinc/39/76/69/570397669.db2.gz LCQPFRUFVPCZLO-UHFFFAOYSA-N 0 0 392.409 5.262 50 0 GKAARN CC[C@H](C)Oc1cccc2c1cc(C(=O)NCC(C)C)n2Cc1ccccc1 ZINC000035562602 570397734 /nfs/dbraw/zinc/39/77/34/570397734.db2.gz BUEBUWCUFLKISJ-SFHVURJKSA-N 0 0 378.516 5.253 50 0 GKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)c1 ZINC000004723235 570397791 /nfs/dbraw/zinc/39/77/91/570397791.db2.gz VWGNBNSBCJUCEK-UHFFFAOYSA-N 0 0 397.400 5.732 50 0 GKAARN Cc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000004724703 570397850 /nfs/dbraw/zinc/39/78/50/570397850.db2.gz UYEJEISPCLHROU-WJDWOHSUSA-N 0 0 397.453 5.639 50 0 GKAARN COc1ccc(-n2c(/C=C\c3ccccc3Cl)nc3ccccc3c2=O)cc1 ZINC000004724921 570398298 /nfs/dbraw/zinc/39/82/98/570398298.db2.gz BBVVQOVWAQBGCD-GDNBJRDFSA-N 0 0 388.854 5.218 50 0 GKAARN Brc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3N2)cc1 ZINC000005021946 570398517 /nfs/dbraw/zinc/39/85/17/570398517.db2.gz PFAGPSGXTCTBJV-NRFANRHFSA-N 0 0 377.285 6.127 50 0 aggregator GKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccccc2)cc1 ZINC000032974883 570398593 /nfs/dbraw/zinc/39/85/93/570398593.db2.gz VUQGYVABTUTBEI-UHFFFAOYSA-N 0 0 395.506 5.097 50 0 GKAARN O=C(Cc1cccc2ccccc21)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000024927810 570398907 /nfs/dbraw/zinc/39/89/07/570398907.db2.gz SOPMZAVQSAKRHV-AREMUKBSSA-N 0 0 391.474 5.164 50 0 GKAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)Nc3ccc(F)cc3Cl)c2c1 ZINC000032953293 570399010 /nfs/dbraw/zinc/39/90/10/570399010.db2.gz OPJORFWALKLTQC-UHFFFAOYSA-N 0 0 391.833 5.650 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1F)c1oc2ccccc2c1COc1ccccc1 ZINC000006376297 570399026 /nfs/dbraw/zinc/39/90/26/570399026.db2.gz ACDIICQVWFHRTL-UHFFFAOYSA-N 0 0 397.352 5.681 50 0 GKAARN CCc1ccc(OCc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC000033011766 570399334 /nfs/dbraw/zinc/39/93/34/570399334.db2.gz ZDIMZNWWZPFQIP-UHFFFAOYSA-N 0 0 380.513 5.083 50 0 GKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3)ncn2)c1 ZINC000033010676 570399359 /nfs/dbraw/zinc/39/93/59/570399359.db2.gz VTFDWBOUWXEKCS-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 ZINC000005025905 570399551 /nfs/dbraw/zinc/39/95/51/570399551.db2.gz RENSGFRSIYJFBK-STQMWFEESA-N 0 0 387.936 5.073 50 0 GKAARN CCCCN(CC)C(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000005025900 570399642 /nfs/dbraw/zinc/39/96/42/570399642.db2.gz WIDINEIIDMNLRR-UHFFFAOYSA-N 0 0 375.925 5.217 50 0 GKAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1Cc2ccccc2S1 ZINC000024957375 570399868 /nfs/dbraw/zinc/39/98/68/570399868.db2.gz MLXVIEFMBIYZDC-OAQYLSRUSA-N 0 0 395.549 5.003 50 0 GKAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000006379910 570400012 /nfs/dbraw/zinc/40/00/12/570400012.db2.gz MPNSQAQMNLEFOK-UHFFFAOYSA-N 0 0 388.448 5.002 50 0 GKAARN Brc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ccccc2N1 ZINC000005022982 570400367 /nfs/dbraw/zinc/40/03/67/570400367.db2.gz OYPYNBIEJNOOCJ-OAQYLSRUSA-N 0 0 377.285 6.127 50 0 aggregator GKAARN Cc1nn(-c2ccc(Cl)cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000004740011 570400601 /nfs/dbraw/zinc/40/06/01/570400601.db2.gz ARARNKGQXBYNFJ-UHFFFAOYSA-N 0 0 377.753 5.661 50 0 GKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1 ZINC000004739428 570400737 /nfs/dbraw/zinc/40/07/37/570400737.db2.gz DPFWVUWWQOMSBX-UHFFFAOYSA-N 0 0 397.400 5.732 50 0 GKAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 ZINC000005030873 570400793 /nfs/dbraw/zinc/40/07/93/570400793.db2.gz VZEDFCWIJYEVBP-WXVAWEFUSA-N 0 0 389.476 5.287 50 0 GKAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000004741614 570401101 /nfs/dbraw/zinc/40/11/01/570401101.db2.gz HVHGWOLQNPHGDF-HSZRJFAPSA-N 0 0 394.478 5.272 50 0 GKAARN Cc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4cccc(F)c4)cc2-3)cc1 ZINC000005028597 570401174 /nfs/dbraw/zinc/40/11/74/570401174.db2.gz NWQMRXUSADGWOV-UHFFFAOYSA-N 0 0 385.417 5.838 50 0 GKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000004741889 570401492 /nfs/dbraw/zinc/40/14/92/570401492.db2.gz SWVGZXPMYAEXMF-JOCHJYFZSA-N 0 0 383.451 5.042 50 0 GKAARN O=C(CCSc1ncnc2ccccc21)Nc1c(Cl)cccc1Cl ZINC000024985751 570401598 /nfs/dbraw/zinc/40/15/98/570401598.db2.gz HMJCRMBENJXJMT-UHFFFAOYSA-N 0 0 378.284 5.058 50 0 GKAARN O=c1oc2ccccc2c2c1[C@@H](c1ccccc1Cl)Sc1ccccc1N2 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COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccs2)c1 ZINC000005035351 570403963 /nfs/dbraw/zinc/40/39/63/570403963.db2.gz SBYNMJRWOYAFLB-UHFFFAOYSA-N 0 0 392.436 5.008 50 0 GKAARN Cc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)c1 ZINC000005035392 570403973 /nfs/dbraw/zinc/40/39/73/570403973.db2.gz RJXFSMKYGUXUIQ-UHFFFAOYSA-N 0 0 388.398 5.385 50 0 GKAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCc2ccc(Cl)cc2)n1 ZINC000004757709 570404118 /nfs/dbraw/zinc/40/41/18/570404118.db2.gz OPTDFSYTYAHZHF-UHFFFAOYSA-N 0 0 398.215 6.081 50 0 GKAARN CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1 ZINC000006396180 570404625 /nfs/dbraw/zinc/40/46/25/570404625.db2.gz FSBPXMYOTMMGSB-QRWLVFNGSA-N 0 0 398.572 6.117 50 0 GKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1ccccc1F ZINC000033278196 570404620 /nfs/dbraw/zinc/40/46/20/570404620.db2.gz ZRALCIVKGDVULC-UHFFFAOYSA-N 0 0 396.512 5.576 50 0 GKAARN Cc1nn(C)cc1NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccc(C)cc21 ZINC000006401225 570404812 /nfs/dbraw/zinc/40/48/12/570404812.db2.gz 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C[C@@H]1CCC[C@@H](NC(=O)c2ccc(CSCc3cccc(F)c3)o2)[C@H]1C ZINC000248115867 570441390 /nfs/dbraw/zinc/44/13/90/570441390.db2.gz SHJNQEBVKTYVDB-ZRGWGRIASA-N 0 0 375.509 5.407 50 0 GKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1cccc(Cl)c1 ZINC000011866482 570441393 /nfs/dbraw/zinc/44/13/93/570441393.db2.gz POPDVDPPEZYLNX-UHFFFAOYSA-N 0 0 391.854 6.226 50 0 GKAARN Cc1cccc(C)c1OCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027746897 570441594 /nfs/dbraw/zinc/44/15/94/570441594.db2.gz XJMSDHQPAMZALY-QFIPXVFZSA-N 0 0 398.506 5.112 50 0 GKAARN Cc1cccc(CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c1 ZINC000005478728 570441641 /nfs/dbraw/zinc/44/16/41/570441641.db2.gz IQAXPOOYKRKSIQ-UHFFFAOYSA-N 0 0 375.497 5.496 50 0 GKAARN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000027745495 570441671 /nfs/dbraw/zinc/44/16/71/570441671.db2.gz NIOQGWWVPQDUID-UHFFFAOYSA-N 0 0 390.213 5.636 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccc(C(C)C)cc1)c1ccccn1 ZINC000027747454 570441736 /nfs/dbraw/zinc/44/17/36/570441736.db2.gz ANZBLOGCIRCICN-UHFFFAOYSA-N 0 0 384.479 6.107 50 0 GKAARN CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccc(OC)cc1 ZINC000001906649 570441990 /nfs/dbraw/zinc/44/19/90/570441990.db2.gz NYEHLIZUHZWKED-HSZRJFAPSA-N 0 0 383.532 5.272 50 0 biogenic GKAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O ZINC000027792496 570442635 /nfs/dbraw/zinc/44/26/35/570442635.db2.gz CRZXCQRTCPBIEB-NRFANRHFSA-N 0 0 389.543 5.324 50 0 GKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1C ZINC000027794149 570443035 /nfs/dbraw/zinc/44/30/35/570443035.db2.gz XBHGNRBTNBPIIQ-SFHVURJKSA-N 0 0 385.463 6.123 50 0 GKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1C(F)(F)F ZINC000022654621 570443622 /nfs/dbraw/zinc/44/36/22/570443622.db2.gz KTWGHIKZDLAEBM-UHFFFAOYSA-N 0 0 385.407 5.319 50 0 GKAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1)Nc1ccccc1F ZINC000035768503 570444082 /nfs/dbraw/zinc/44/40/82/570444082.db2.gz KVZFSPPLBVZVFE-GOSISDBHSA-N 0 0 376.406 5.607 50 0 GKAARN CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)cc1 ZINC000005556324 570446100 /nfs/dbraw/zinc/44/61/00/570446100.db2.gz QAJNYZZBTFKJOO-UHFFFAOYSA-N 0 0 382.920 5.254 50 0 GKAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(C2CCCCC2)C1 ZINC000054114387 570446391 /nfs/dbraw/zinc/44/63/91/570446391.db2.gz IYFUUISGSWLVLV-UHFFFAOYSA-N 0 0 393.483 5.556 50 0 GKAARN O=C1N[C@@H](c2cccc(Br)c2)Nc2scc(-c3ccccc3)c21 ZINC000006476006 570446553 /nfs/dbraw/zinc/44/65/53/570446553.db2.gz KHPFYOBWRUMIJA-MRXNPFEDSA-N 0 0 385.286 5.607 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)NCc2ccccc2)cc1 ZINC000006477733 570447794 /nfs/dbraw/zinc/44/77/94/570447794.db2.gz HPMGVEDQQWSWOC-MSUUIHNZSA-N 0 0 393.490 5.177 50 0 GKAARN COc1ccc(-c2c(C)nn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc1 ZINC000006477741 570447805 /nfs/dbraw/zinc/44/78/05/570447805.db2.gz IOERDVYWUVDJRF-UHFFFAOYSA-N 0 0 397.400 5.708 50 0 GKAARN CCCCCOc1ccc(Nc2nc(C(=O)OCC)nc3ccccc32)cc1 ZINC000001913365 570447928 /nfs/dbraw/zinc/44/79/28/570447928.db2.gz ZTWJNMWUOIVFDP-UHFFFAOYSA-N 0 0 379.460 5.119 50 0 GKAARN Brc1ccc2ncnc(NC3CCCCCCCCCCC3)c2c1 ZINC000001912231 570447946 /nfs/dbraw/zinc/44/79/46/570447946.db2.gz AXMGKUOMEPVYHZ-UHFFFAOYSA-N 0 0 390.369 6.478 50 0 GKAARN Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)c2ccccc2Cl)c1 ZINC000027989747 570447905 /nfs/dbraw/zinc/44/79/05/570447905.db2.gz GWXNSHLXJFUQSZ-UHFFFAOYSA-N 0 0 385.916 5.631 50 0 GKAARN CCc1ccc2oc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)c(C)c2c1 ZINC000011914743 570448115 /nfs/dbraw/zinc/44/81/15/570448115.db2.gz LKVIZDCHSOXEQX-UHFFFAOYSA-N 0 0 388.467 5.465 50 0 GKAARN O=C(Cc1cccc2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000011914878 570448169 /nfs/dbraw/zinc/44/81/69/570448169.db2.gz PLDGZJIVEGWJOW-UHFFFAOYSA-N 0 0 386.520 5.398 50 0 GKAARN Cc1ccccc1Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000011915390 570448174 /nfs/dbraw/zinc/44/81/74/570448174.db2.gz ZVHABCZNSYSVAP-UHFFFAOYSA-N 0 0 385.492 6.114 50 0 GKAARN c1ccc(-c2nc(N=NCc3cccc4ncccc34)nc3ccccc32)cc1 ZINC000252452466 570448809 /nfs/dbraw/zinc/44/88/09/570448809.db2.gz KHXNIKSMMBECNT-UHFFFAOYSA-N 0 0 375.435 5.291 50 0 GKAARN Cc1c(C(=O)NCCc2csc(-c3ccccc3)n2)oc2cc(C)cc(C)c12 ZINC000027994920 570449210 /nfs/dbraw/zinc/44/92/10/570449210.db2.gz VXSNUQSDKNIPDM-UHFFFAOYSA-N 0 0 390.508 5.454 50 0 GKAARN CCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000006489950 570449975 /nfs/dbraw/zinc/44/99/75/570449975.db2.gz IPGIVZHNNSXEPF-UHFFFAOYSA-N 0 0 378.903 5.662 50 0 GKAARN COc1cccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)c1OC ZINC000005658403 570450324 /nfs/dbraw/zinc/45/03/24/570450324.db2.gz VUHGXYIWLXEFRR-BMRADRMJSA-N 0 0 397.474 6.001 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(NC(C)=O)cc3)c3ccccc3o2)cc1 ZINC000001932817 570450619 /nfs/dbraw/zinc/45/06/19/570450619.db2.gz ITLSMDVTVZWUQQ-XTCLZLMSSA-N 0 0 384.435 5.299 50 0 biogenic GKAARN CCc1ccc(Nc2nnc(SCC(=O)c3ccc(CC)cc3)s2)cc1 ZINC000032957526 570450603 /nfs/dbraw/zinc/45/06/03/570450603.db2.gz CHMPTGKCLOTDER-UHFFFAOYSA-N 0 0 383.542 5.382 50 0 GKAARN C[C@H]1CCO[P@](=O)(C(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000005676317 570450856 /nfs/dbraw/zinc/45/08/56/570450856.db2.gz QAFHOWGDYORPLY-UZTOHYMASA-N 0 0 378.408 5.997 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C1CCCCC1 ZINC000001945695 570451085 /nfs/dbraw/zinc/45/10/85/570451085.db2.gz VOBICVGEYQPKGX-UHFFFAOYSA-N 0 0 385.529 5.727 50 0 GKAARN O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1OC(F)F ZINC000002665130 570451090 /nfs/dbraw/zinc/45/10/90/570451090.db2.gz RZUCVIZJLRGKPN-UHFFFAOYSA-N 0 0 378.227 5.326 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccco2)cc1 ZINC000248262209 570451304 /nfs/dbraw/zinc/45/13/04/570451304.db2.gz WWXXWPFLBDEUOV-RXVVDRJESA-N 0 0 380.831 5.184 50 0 GKAARN Cc1cc(Br)ccc1OC(=O)COc1ccc(Cl)cc1Cl ZINC000005680182 570451559 /nfs/dbraw/zinc/45/15/59/570451559.db2.gz NAOUMBTUURZIAT-UHFFFAOYSA-N 0 0 390.060 5.049 50 0 GKAARN CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000248265297 570451531 /nfs/dbraw/zinc/45/15/31/570451531.db2.gz NYJPQNDSCIEILZ-IOMZQJNZSA-N 0 0 386.620 6.322 50 0 GKAARN Cc1cc(OCC(=O)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc(C)c1Cl ZINC000005697749 570451721 /nfs/dbraw/zinc/45/17/21/570451721.db2.gz SKXRSMHBNBZGIA-UHFFFAOYSA-N 0 0 396.314 5.631 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc2ccccc21 ZINC000005705001 570451844 /nfs/dbraw/zinc/45/18/44/570451844.db2.gz OIZCMASECSDRQQ-UHFFFAOYSA-N 0 0 380.472 6.369 50 0 GKAARN O=C(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000005705086 570451967 /nfs/dbraw/zinc/45/19/67/570451967.db2.gz LWWKZMUFMKSMMD-VGOFMYFVSA-N 0 0 390.895 6.372 50 0 GKAARN CCCc1cc2c(cc1OC(C)C)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630469 570452446 /nfs/dbraw/zinc/45/24/46/570452446.db2.gz QIGCRIQSLSJSEY-UHFFFAOYSA-N 0 0 394.467 5.279 50 0 biogenic GKAARN CC(C)Oc1ccc([C@@H](CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000001295725 570452816 /nfs/dbraw/zinc/45/28/16/570452816.db2.gz TYLTWIVYGAQIHR-GGAORHGYSA-N 0 0 395.543 5.070 50 0 biogenic GKAARN Cc1c2ccc(OC/C=C/c3ccccc3)cc2oc(=O)c1Cc1ccccc1 ZINC000002110486 570452982 /nfs/dbraw/zinc/45/29/82/570452982.db2.gz YGLKAHPXOKNLIY-MDWZMJQESA-N 0 0 382.459 5.784 50 0 biogenic GKAARN COc1ccc(NC(=O)C[C@@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004064259 570453857 /nfs/dbraw/zinc/45/38/57/570453857.db2.gz RTMADNHZXYVOOH-VQTJNVASSA-N 0 0 381.516 5.088 50 0 biogenic GKAARN c1ccc(CCNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)cc1 ZINC000028287158 570454108 /nfs/dbraw/zinc/45/41/08/570454108.db2.gz WQCAQWZNPGARKU-UHFFFAOYSA-N 0 0 392.462 5.606 50 0 GKAARN COc1ccc(OCCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000006490677 570454396 /nfs/dbraw/zinc/45/43/96/570454396.db2.gz AVKKXKZDTPSUAX-UHFFFAOYSA-N 0 0 378.512 5.621 50 0 GKAARN Cc1cccc(NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc32)c1 ZINC000252623205 570454415 /nfs/dbraw/zinc/45/44/15/570454415.db2.gz OMHKWAXDTLGPTE-UHFFFAOYSA-N 0 0 380.447 5.813 50 0 GKAARN Cc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1 ZINC000005739537 570454635 /nfs/dbraw/zinc/45/46/35/570454635.db2.gz DWRCBQPADZMDFI-UHFFFAOYSA-N 0 0 377.831 5.033 50 0 GKAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cccc2ccccc21 ZINC000028288013 570454694 /nfs/dbraw/zinc/45/46/94/570454694.db2.gz NANLOWCRCQJQOC-UHFFFAOYSA-N 0 0 392.911 5.589 50 0 GKAARN c1ccc2nc(CSc3ccncc3)c(CSc3ccncc3)nc2c1 ZINC000005741297 570454693 /nfs/dbraw/zinc/45/46/93/570454693.db2.gz SGGAKHKEXNKXBU-UHFFFAOYSA-N 0 0 376.510 5.004 50 0 GKAARN Cc1ccccc1CN(Cc1cccc(-c2ccccc2)c1)C(=O)c1ccco1 ZINC000035809101 570454786 /nfs/dbraw/zinc/45/47/86/570454786.db2.gz KNJBWDXFQDFPBD-UHFFFAOYSA-N 0 0 381.475 6.098 50 0 GKAARN CCCCC1CCC(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000028288394 570455041 /nfs/dbraw/zinc/45/50/41/570455041.db2.gz SJONWIHYIPCRTK-UHFFFAOYSA-N 0 0 384.589 5.774 50 0 GKAARN Cc1cccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1C ZINC000028289644 570455737 /nfs/dbraw/zinc/45/57/37/570455737.db2.gz SFWJZIPEILHSIQ-UHFFFAOYSA-N 0 0 398.865 5.103 50 0 GKAARN O=C(Oc1ccccc1)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000028290466 570456139 /nfs/dbraw/zinc/45/61/39/570456139.db2.gz CGQVSYBYVDBUEG-UHFFFAOYSA-N 0 0 391.279 5.295 50 0 GKAARN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)c1 ZINC000028292095 570456411 /nfs/dbraw/zinc/45/64/11/570456411.db2.gz GYDLSYGYJLPKFO-UHFFFAOYSA-N 0 0 398.865 5.103 50 0 GKAARN O=C(/C=C\c1ccccc1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000006495805 570456812 /nfs/dbraw/zinc/45/68/12/570456812.db2.gz RIWATVDSMGSRHG-WJDWOHSUSA-N 0 0 398.487 6.254 50 0 GKAARN Cc1c2cc(C)cc(C)c2oc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 ZINC000028292731 570457007 /nfs/dbraw/zinc/45/70/07/570457007.db2.gz JUCJSKAOZBDCHJ-UHFFFAOYSA-N 0 0 384.479 5.908 50 0 GKAARN CC(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 ZINC000028292988 570457018 /nfs/dbraw/zinc/45/70/18/570457018.db2.gz MQDNQWQMEJYGLA-UHFFFAOYSA-N 0 0 394.902 5.471 50 0 GKAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028292963 570457043 /nfs/dbraw/zinc/45/70/43/570457043.db2.gz VHEQSGJQSDXYQV-UHFFFAOYSA-N 0 0 387.266 5.001 50 0 GKAARN CCCC[C@@H](CC)C(=O)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035816230 570457575 /nfs/dbraw/zinc/45/75/75/570457575.db2.gz YFHOUJRFEWFWGC-HYBUGGRVSA-N 0 0 397.584 6.056 50 0 GKAARN Cc1ccccc1CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccncc1 ZINC000035815837 570457728 /nfs/dbraw/zinc/45/77/28/570457728.db2.gz OGTDVHKWXTYCDI-UHFFFAOYSA-N 0 0 392.502 5.900 50 0 GKAARN CCC(=O)N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccn1 ZINC000028403728 570458991 /nfs/dbraw/zinc/45/89/91/570458991.db2.gz PSTYOHDBNJERAY-UHFFFAOYSA-N 0 0 380.875 5.257 50 0 GKAARN C=S(C)(=NCC[C@@H](CCC(C)C)[C@@H]1CCOC(C)(C)C1)c1ccc(C)cc1 ZINC000026961342 570459173 /nfs/dbraw/zinc/45/91/73/570459173.db2.gz XOUPDUPMPJGTEX-FGZHOGPDSA-N 0 0 391.665 6.175 50 0 GKAARN CCCCCC1CCC(c2ccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000005860163 570459313 /nfs/dbraw/zinc/45/93/13/570459313.db2.gz BJWTUGHLGJEZCU-HJLBWTBNSA-N 0 0 386.580 6.182 50 0 GKAARN Cc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(C)n1C[C@@H]1CCCO1 ZINC000006506397 570459797 /nfs/dbraw/zinc/45/97/97/570459797.db2.gz IZVRORCYUHRBPN-QFIPXVFZSA-N 0 0 397.522 6.008 50 0 GKAARN CCOc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)ccc1O ZINC000005872259 570459819 /nfs/dbraw/zinc/45/98/19/570459819.db2.gz GIUIHMROXWPQEC-JTSKRJEESA-N 0 0 392.480 5.095 50 0 GKAARN C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000006508327 570460973 /nfs/dbraw/zinc/46/09/73/570460973.db2.gz BPZHVOPGZWVJCU-MRXNPFEDSA-N 0 0 393.870 5.042 50 0 GKAARN Fc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1Cl ZINC000005900174 570461122 /nfs/dbraw/zinc/46/11/22/570461122.db2.gz BRNRSUWDNBJRMQ-UHFFFAOYSA-N 0 0 384.907 5.878 50 0 GKAARN CCOc1ccc2nc(SCCCCCCCCC(=O)OC)sc2c1 ZINC000005908253 570461665 /nfs/dbraw/zinc/46/16/65/570461665.db2.gz MZLAVHZLUNYKTK-UHFFFAOYSA-N 0 0 381.563 5.691 50 0 GKAARN Cc1ccc(C)c(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 ZINC000035840087 570463419 /nfs/dbraw/zinc/46/34/19/570463419.db2.gz FHNXXUCQBKUDPT-UHFFFAOYSA-N 0 0 385.536 5.767 50 0 GKAARN Cc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960488 570463475 /nfs/dbraw/zinc/46/34/75/570463475.db2.gz LBNITGHVOXWHIY-UHFFFAOYSA-N 0 0 388.398 5.385 50 0 GKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H](C)c1ccccn1 ZINC000028784552 570464136 /nfs/dbraw/zinc/46/41/36/570464136.db2.gz NAAQQMIKGRUVRT-NSHDSACASA-N 0 0 391.418 5.023 50 0 GKAARN COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2F)cc1 ZINC000035848738 570464963 /nfs/dbraw/zinc/46/49/63/570464963.db2.gz JDCWFVVRKHIEKP-UHFFFAOYSA-N 0 0 391.471 5.374 50 0 GKAARN CCC[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(CC)cc3)=NN21 ZINC000006045605 570465027 /nfs/dbraw/zinc/46/50/27/570465027.db2.gz URTQTUCJQNJLTB-PZJWPPBQSA-N 0 0 399.332 5.681 50 0 GKAARN c1ccc(CCc2nc3sc4c(c3c(N3CCCCC3)n2)CCCC4)cc1 ZINC000035848792 570464999 /nfs/dbraw/zinc/46/49/99/570464999.db2.gz JHXVQYMSEOQZEQ-UHFFFAOYSA-N 0 0 377.557 5.346 50 0 GKAARN CCc1nc(SCc2cc(C)ccc2C)n(C)c(=O)c1Cc1cccc(C)c1 ZINC000035844588 570465005 /nfs/dbraw/zinc/46/50/05/570465005.db2.gz DPFXCAZDXVSTIQ-UHFFFAOYSA-N 0 0 392.568 5.151 50 0 GKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](C1CCCCC1)O2 ZINC000006048362 570465040 /nfs/dbraw/zinc/46/50/40/570465040.db2.gz SWGGVOQIXZZHIK-VWNXMTODSA-N 0 0 376.500 5.535 50 0 GKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000006048151 570465051 /nfs/dbraw/zinc/46/50/51/570465051.db2.gz WJKXCLMSYAMXOX-LADGPHEKSA-N 0 0 388.442 5.467 50 0 GKAARN C=C(C)COc1cccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 ZINC000002084001 570465412 /nfs/dbraw/zinc/46/54/12/570465412.db2.gz GHGYKOMTACNJDE-KGENOOAVSA-N 0 0 375.468 5.284 50 0 GKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000006525524 570465957 /nfs/dbraw/zinc/46/59/57/570465957.db2.gz DHZKFJIOYVWIDE-GJZGRUSLSA-N 0 0 379.891 5.353 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000006528003 570466127 /nfs/dbraw/zinc/46/61/27/570466127.db2.gz YNTYNVZAYDFOBB-UHFFFAOYSA-N 0 0 391.117 5.487 50 0 GKAARN CCc1ccc(C)n2c(C(=O)c3ccc(-c4ccccc4)cc3)cc(C(C)=O)c12 ZINC000006124780 570466753 /nfs/dbraw/zinc/46/67/53/570466753.db2.gz VBKCHTJKTVNLJC-UHFFFAOYSA-N 0 0 381.475 5.911 50 0 GKAARN 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O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(Cl)c(Cl)c1 ZINC000005190132 570498925 /nfs/dbraw/zinc/49/89/25/570498925.db2.gz BNDSDUKVLXSSMG-HNNXBMFYSA-N 0 0 393.122 6.079 50 0 GKAARN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)OC(=O)c1ccc(Cl)cc1 ZINC000006921842 570499017 /nfs/dbraw/zinc/49/90/17/570499017.db2.gz DYKSSILWJCXGPX-LBPRGKRZSA-N 0 0 392.307 6.343 50 0 GKAARN O=C(CCSc1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000005192651 570499222 /nfs/dbraw/zinc/49/92/22/570499222.db2.gz KHUBWPRZNZCTMX-UHFFFAOYSA-N 0 0 376.453 5.209 50 0 GKAARN COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000005192848 570499340 /nfs/dbraw/zinc/49/93/40/570499340.db2.gz WOQDCXVNGHFZOT-UHFFFAOYSA-N 0 0 395.871 5.273 50 0 GKAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000006608215 570499787 /nfs/dbraw/zinc/49/97/87/570499787.db2.gz AIIJGKGBPDAPHY-OAQYLSRUSA-N 0 0 385.492 5.336 50 0 GKAARN O=C1NC(=S)SC1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000006971864 570499800 /nfs/dbraw/zinc/49/98/00/570499800.db2.gz 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570503729 /nfs/dbraw/zinc/50/37/29/570503729.db2.gz MZVMCKHBKIRDMH-UHFFFAOYSA-N 0 0 385.417 5.838 50 0 GKAARN COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(C)ccc32)cc1 ZINC000002688869 570503745 /nfs/dbraw/zinc/50/37/45/570503745.db2.gz HYNJXEQOEHEPQI-UHFFFAOYSA-N 0 0 397.453 5.708 50 0 GKAARN Cc1ccc(C(=O)N[C@H](Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003109646 570503677 /nfs/dbraw/zinc/50/36/77/570503677.db2.gz FXMBTNCHLIYHRG-HNNXBMFYSA-N 0 0 392.113 5.187 50 0 GKAARN CCCCCCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 ZINC000003108275 570503728 /nfs/dbraw/zinc/50/37/28/570503728.db2.gz GNMURVHGGPIDKF-UHFFFAOYSA-N 0 0 377.282 5.056 50 0 GKAARN Clc1ccc(-c2nn3cc(-c4ccccc4)c4c3n2CCCC4)c(Cl)c1 ZINC000002684698 570503777 /nfs/dbraw/zinc/50/37/77/570503777.db2.gz BOFPGHXMAKWXEG-UHFFFAOYSA-N 0 0 382.294 6.113 50 0 GKAARN COc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3ccccc32)c1 ZINC000002688473 570503790 /nfs/dbraw/zinc/50/37/90/570503790.db2.gz FADQJMVPPOWCBK-UHFFFAOYSA-N 0 0 383.426 5.399 50 0 GKAARN CC(C)NC(=O)c1cnc(-c2ccccc2)nc1Oc1cccc(C(C)C)c1 ZINC000035987283 570503813 /nfs/dbraw/zinc/50/38/13/570503813.db2.gz JOUOPRWNTNCSNI-UHFFFAOYSA-N 0 0 375.472 5.198 50 0 GKAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccccc3Br)n2)c1 ZINC000003107649 570503880 /nfs/dbraw/zinc/50/38/80/570503880.db2.gz IAJUONFBCXXLQD-UHFFFAOYSA-N 0 0 387.302 5.442 50 0 GKAARN CCOc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4)cc2-3)cc1 ZINC000002689429 570504065 /nfs/dbraw/zinc/50/40/65/570504065.db2.gz SAPIHYQQCQGBRS-UHFFFAOYSA-N 0 0 397.453 5.789 50 0 GKAARN COc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)c1 ZINC000002689801 570504214 /nfs/dbraw/zinc/50/42/14/570504214.db2.gz OXFYBORHTNZGCD-UHFFFAOYSA-N 0 0 383.426 5.399 50 0 GKAARN Cc1cc(C(F)F)nc2sc3c(c21)N[C@H](c1ccc(Cl)cc1)NC3=O ZINC000006613247 570504431 /nfs/dbraw/zinc/50/44/31/570504431.db2.gz OSUZFUAFEOIYGI-HNNXBMFYSA-N 0 0 379.819 5.050 50 0 GKAARN Fc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)ccc2O3)cc1 ZINC000002693344 570504365 /nfs/dbraw/zinc/50/43/65/570504365.db2.gz 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ZINC000002690484 570505339 /nfs/dbraw/zinc/50/53/39/570505339.db2.gz XPFUJUWJZQHDOY-UHFFFAOYSA-N 0 0 397.305 6.279 50 0 GKAARN Cc1cccc(Cn2c(COc3cccc4ccccc43)nc3ccccc32)c1 ZINC000002690495 570505377 /nfs/dbraw/zinc/50/53/77/570505377.db2.gz MNBNGBSQTSRUPI-UHFFFAOYSA-N 0 0 378.475 6.125 50 0 GKAARN CCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(OC)ccc2Cl)C1 ZINC000005209507 570506946 /nfs/dbraw/zinc/50/69/46/570506946.db2.gz VGFCFVQKMZDWBH-OAHLLOKOSA-N 0 0 397.906 5.019 50 0 GKAARN Cc1nn2c(nc(-c3ccccc3)cc2-n2ccnc2)c1-c1ccc(Cl)cc1 ZINC000005208454 570506982 /nfs/dbraw/zinc/50/69/82/570506982.db2.gz WCGXCVYSPNGUBQ-UHFFFAOYSA-N 0 0 385.858 5.211 50 0 GKAARN Cc1ccccc1-c1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1C ZINC000005209380 570507000 /nfs/dbraw/zinc/50/70/00/570507000.db2.gz YNHNLKRYYMQXFT-JOCHJYFZSA-N 0 0 399.519 5.507 50 0 GKAARN Fc1ccccc1COc1ccc(Br)cc1CNCc1ccco1 ZINC000007523663 570507223 /nfs/dbraw/zinc/50/72/23/570507223.db2.gz QMGGHEWHNNAHHR-UHFFFAOYSA-N 0 0 390.252 5.050 50 0 GKAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc32)c1C ZINC000002723077 570509009 /nfs/dbraw/zinc/50/90/09/570509009.db2.gz QTSYYLVZFOCXOB-UHFFFAOYSA-N 0 0 387.508 5.373 50 0 GKAARN C[C@@H]1C[C@@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000002714809 570509223 /nfs/dbraw/zinc/50/92/23/570509223.db2.gz LLMLUPSAGHTUME-RTBURBONSA-N 0 0 382.511 5.570 50 0 GKAARN c1c(-c2ccccc2)c2c(ncnc2NCc2ccccc2)n1-c1ccccc1 ZINC000002714095 570509273 /nfs/dbraw/zinc/50/92/73/570509273.db2.gz OMSBLLGGNDDUEV-UHFFFAOYSA-N 0 0 376.463 5.700 50 0 GKAARN Cc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)c1 ZINC000002714267 570509316 /nfs/dbraw/zinc/50/93/16/570509316.db2.gz PEZNFVYHOQNQPD-UHFFFAOYSA-N 0 0 390.490 6.448 50 0 GKAARN C[C@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000002714811 570509586 /nfs/dbraw/zinc/50/95/86/570509586.db2.gz LLMLUPSAGHTUME-OALUTQOASA-N 0 0 382.511 5.570 50 0 GKAARN CCCN(Cc1cc(-c2ccc(OC)cc2)on1)C(=O)c1ccc(Cl)cc1 ZINC000036004662 570509734 /nfs/dbraw/zinc/50/97/34/570509734.db2.gz ZDXKYLRTPAKZBQ-UHFFFAOYSA-N 0 0 384.863 5.056 50 0 GKAARN CCOc1ccc(-c2nc3c(c(SCC)n2)Cc2cc(C)ccc2O3)cc1 ZINC000002716013 570509845 /nfs/dbraw/zinc/50/98/45/570509845.db2.gz TUCATKWBSRETIE-UHFFFAOYSA-N 0 0 378.497 5.659 50 0 GKAARN CCOc1ccc(NC(=S)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011084607 570509864 /nfs/dbraw/zinc/50/98/64/570509864.db2.gz NJXHNODHBLNXQM-UHFFFAOYSA-N 0 0 377.513 5.053 50 0 GKAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000006627299 570509949 /nfs/dbraw/zinc/50/99/49/570509949.db2.gz QAJBZTIZFNCWIJ-UHFFFAOYSA-N 0 0 387.464 5.174 50 0 GKAARN Cc1ccc(C)c(-c2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)C)no2)c1 ZINC000036005609 570510085 /nfs/dbraw/zinc/51/00/85/570510085.db2.gz SOOLYPGIVNGPEG-UHFFFAOYSA-N 0 0 382.891 5.663 50 0 GKAARN Cc1ccc(C)c(-c2cc(CN(Cc3ccccc3)C(=O)NC(C)(C)C)no2)c1 ZINC000036005667 570510098 /nfs/dbraw/zinc/51/00/98/570510098.db2.gz RHLCJYVKCVRLFE-UHFFFAOYSA-N 0 0 391.515 5.469 50 0 GKAARN CCCCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000032223374 570510469 /nfs/dbraw/zinc/51/04/69/570510469.db2.gz CEYKVAXXLKVHOH-UHFFFAOYSA-N 0 0 396.537 8.246 50 0 GKAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002740071 570510570 /nfs/dbraw/zinc/51/05/70/570510570.db2.gz HWHCYSNVTHLOCZ-GOSISDBHSA-N 0 0 379.887 5.336 50 0 GKAARN CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 ZINC000006634684 570510730 /nfs/dbraw/zinc/51/07/30/570510730.db2.gz CGPONODGRQKCAG-UHFFFAOYSA-N 0 0 396.903 5.075 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1C ZINC000002741726 570510753 /nfs/dbraw/zinc/51/07/53/570510753.db2.gz WEYFUPPCTAHHLL-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C)c1 ZINC000064658701 570511177 /nfs/dbraw/zinc/51/11/77/570511177.db2.gz CNOIYTLPUVUXTF-UHFFFAOYSA-N 0 0 396.462 5.405 50 0 GKAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000005213587 570511761 /nfs/dbraw/zinc/51/17/61/570511761.db2.gz 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GGSCERXVQXNELM-UHFFFAOYSA-N 0 0 395.871 5.762 50 0 GKAARN O=C(OCc1ccc(Br)cc1)c1ccccc1Oc1ccccc1 ZINC000003263107 570600302 /nfs/dbraw/zinc/60/03/02/570600302.db2.gz UFTKVLQEFCLSOS-UHFFFAOYSA-N 0 0 383.241 5.598 50 0 GKAARN Clc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000005460406 570600416 /nfs/dbraw/zinc/60/04/16/570600416.db2.gz LOHCVDFABPUNNO-NTEUORMPSA-N 0 0 379.290 6.562 50 0 GKAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003273891 570600734 /nfs/dbraw/zinc/60/07/34/570600734.db2.gz VFBCSQBTYHRYSG-SECBINFHSA-N 0 0 383.325 5.722 50 0 GKAARN Clc1cccc(-c2nc(N3CCCCCC3)nc3c2COc2ccccc2-3)c1 ZINC000006800233 570601041 /nfs/dbraw/zinc/60/10/41/570601041.db2.gz MPZYRMMYGUXOML-UHFFFAOYSA-N 0 0 391.902 5.737 50 0 GKAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2NCCC2=CCCCC2)cc1 ZINC000003279100 570601270 /nfs/dbraw/zinc/60/12/70/570601270.db2.gz JJZIIVHFPBTBCB-UHFFFAOYSA-N 0 0 392.499 5.093 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Cc1ccccc1 ZINC000003279041 570601343 /nfs/dbraw/zinc/60/13/43/570601343.db2.gz LIDUDDUASNAJSS-ACCUITESSA-N 0 0 382.290 6.236 50 0 GKAARN c1ccc(-c2ccccc2OCc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000003310257 570602261 /nfs/dbraw/zinc/60/22/61/570602261.db2.gz OZWIEGOXTWYKGS-UHFFFAOYSA-N 0 0 395.506 5.918 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Oc2ccccc2)cc1 ZINC000003307968 570602505 /nfs/dbraw/zinc/60/25/05/570602505.db2.gz AZYFBOKPPOYJDO-WUKNDPDISA-N 0 0 380.447 5.467 50 0 GKAARN CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000003310836 570602600 /nfs/dbraw/zinc/60/26/00/570602600.db2.gz JCPOPQNQJZBPHD-UHFFFAOYSA-N 0 0 384.504 6.030 50 0 GKAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)c1nnc(-c2cccs2)o1 ZINC000005466525 570602982 /nfs/dbraw/zinc/60/29/82/570602982.db2.gz RSQWXKDJGLAKHM-MRVPVSSYSA-N 0 0 379.919 5.915 50 0 GKAARN CCOc1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)ccc1OCC(C)C ZINC000003312493 570603005 /nfs/dbraw/zinc/60/30/05/570603005.db2.gz DBOWRUGATQTLBZ-UKTHLTGXSA-N 0 0 379.500 5.261 50 0 GKAARN Clc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3c4ccccc4nc3N2)cc1 ZINC000005460713 570604390 /nfs/dbraw/zinc/60/43/90/570604390.db2.gz XCIZUYMMKIBRFW-FPOVZHCZSA-N 0 0 394.305 6.489 50 0 GKAARN Cc1ccc(-c2ccc(O[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000003331795 570605421 /nfs/dbraw/zinc/60/54/21/570605421.db2.gz YXDKOVZKJKAJJG-CJFMBICVSA-N 0 0 399.534 5.932 50 0 GKAARN COc1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC(F)F ZINC000003330931 570605428 /nfs/dbraw/zinc/60/54/28/570605428.db2.gz VGTMLWOHIHCZSL-UHFFFAOYSA-N 0 0 383.394 5.140 50 0 GKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+]Cc2cccs2)c1C(=O)[O-] ZINC000006803321 570605592 /nfs/dbraw/zinc/60/55/92/570605592.db2.gz MZGGWJQIEJCGDC-UHFFFAOYSA-N 0 0 390.508 5.048 50 0 GKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+][C@@H]3CCCC[C@H]3C)c2C(=O)[O-])cc1 ZINC000006803532 570605774 /nfs/dbraw/zinc/60/57/74/570605774.db2.gz DQOBWIONLMHICS-XMSQKQJNSA-N 0 0 390.527 5.365 50 0 GKAARN O=C(Cc1c(Cl)cccc1Cl)OCC(=O)c1ccc(Cl)cc1Cl ZINC000003343366 570605903 /nfs/dbraw/zinc/60/59/03/570605903.db2.gz XNBRIPCFZYKTTD-UHFFFAOYSA-N 0 0 392.065 5.269 50 0 GKAARN Cc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000003416247 570606895 /nfs/dbraw/zinc/60/68/95/570606895.db2.gz FKUXEMCREBVKSS-SAPNQHFASA-N 0 0 393.490 5.808 50 0 GKAARN Cc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1Cl ZINC000006806224 570606973 /nfs/dbraw/zinc/60/69/73/570606973.db2.gz OPMZPKSEQXWBAH-UHFFFAOYSA-N 0 0 385.920 5.501 50 0 GKAARN Cc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)c(Cl)c1 ZINC000006806234 570607099 /nfs/dbraw/zinc/60/70/99/570607099.db2.gz ZRUAAOYZEWUMIJ-UHFFFAOYSA-N 0 0 385.920 5.501 50 0 GKAARN Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc4oc5c(c4c3)CCCC5)cc2)n1 ZINC000003428185 570607353 /nfs/dbraw/zinc/60/73/53/570607353.db2.gz AGENTFOYPZOAMC-UHFFFAOYSA-N 0 0 386.451 5.333 50 0 GKAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000006807127 570607580 /nfs/dbraw/zinc/60/75/80/570607580.db2.gz XWHZZNIJJPYXTQ-UHFFFAOYSA-N 0 0 384.483 5.347 50 0 GKAARN Brc1cccc(Nc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000003442513 570607609 /nfs/dbraw/zinc/60/76/09/570607609.db2.gz DIWOMLNVEBVEHE-UHFFFAOYSA-N 0 0 376.257 5.803 50 0 GKAARN CCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000005477640 570607661 /nfs/dbraw/zinc/60/76/61/570607661.db2.gz CDAXUQDEIXNCBP-DQRYEYLNSA-N 0 0 376.500 5.343 50 0 GKAARN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000012091083 570607822 /nfs/dbraw/zinc/60/78/22/570607822.db2.gz BBRNBFLEKWFDAU-OAQYLSRUSA-N 0 0 376.456 5.156 50 0 GKAARN CCc1ccc(NC(=O)CSc2nc(CC)nc3c4ccccc4oc32)cc1 ZINC000005478192 570608109 /nfs/dbraw/zinc/60/81/09/570608109.db2.gz ZZKTZNQOJZSFJA-UHFFFAOYSA-N 0 0 391.496 5.232 50 0 GKAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1c(Cl)cccc1Cl ZINC000005478479 570608536 /nfs/dbraw/zinc/60/85/36/570608536.db2.gz CRQBTWOTBHCFEH-XMZCSZCVSA-N 0 0 387.310 5.021 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccccc4Cl)oc3ccc2O1 ZINC000006808057 570609546 /nfs/dbraw/zinc/60/95/46/570609546.db2.gz LWDMDXQFVWEBHG-JOCHJYFZSA-N 0 0 397.858 5.781 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)NCc4ccc(C)cc4)oc3ccc2O1 ZINC000006808081 570609786 /nfs/dbraw/zinc/60/97/86/570609786.db2.gz BMRFKLBSMRUGSZ-XMMPIXPASA-N 0 0 391.467 5.114 50 0 GKAARN Cc1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)cc1C ZINC000006808519 570610216 /nfs/dbraw/zinc/61/02/16/570610216.db2.gz SZCPYKZIENSJLR-UHFFFAOYSA-N 0 0 399.968 6.568 50 0 GKAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c(C)c12 ZINC000006809041 570611000 /nfs/dbraw/zinc/61/10/00/570611000.db2.gz HGDOPNKNMFFZMG-UHFFFAOYSA-N 0 0 392.547 5.300 50 0 GKAARN CCOc1cccc(C(=O)Oc2cc3sc(=O)oc3c(-c3ccccc3)c2)c1 ZINC000006809656 570611851 /nfs/dbraw/zinc/61/18/51/570611851.db2.gz JOEQOOPHGGYMQZ-UHFFFAOYSA-N 0 0 392.432 5.139 50 0 GKAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314437 570612440 /nfs/dbraw/zinc/61/24/40/570612440.db2.gz GUQSYZRUQARBJF-SFHVURJKSA-N 0 0 397.824 5.180 50 0 GKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000005484949 570612550 /nfs/dbraw/zinc/61/25/50/570612550.db2.gz YMCDUMPDXSHJOY-SFHVURJKSA-N 0 0 383.488 5.138 50 0 GKAARN CCc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064955973 570612539 /nfs/dbraw/zinc/61/25/39/570612539.db2.gz VBDNBMJKINJTQH-IBGZPJMESA-N 0 0 397.522 5.446 50 0 GKAARN CCc1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc54)ccc3o2)cc1 ZINC000004020279 570612901 /nfs/dbraw/zinc/61/29/01/570612901.db2.gz RNPLSYRLNOWBHE-UHFFFAOYSA-N 0 0 392.458 6.463 50 0 GKAARN Cc1cccc(C(=O)Oc2cc3sc(=O)oc3c(-c3ccc(F)cc3)c2)c1 ZINC000006809688 570613189 /nfs/dbraw/zinc/61/31/89/570613189.db2.gz QWHLUXHKMZPUGO-UHFFFAOYSA-N 0 0 380.396 5.188 50 0 GKAARN Cc1ccccc1C(=O)Oc1cc2sc(=O)oc2c(-c2ccc(F)cc2)c1 ZINC000006809689 570613368 /nfs/dbraw/zinc/61/33/68/570613368.db2.gz YEVFPWXTTLOYFW-UHFFFAOYSA-N 0 0 380.396 5.188 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(Cl)sc1Cl ZINC000004033924 570613390 /nfs/dbraw/zinc/61/33/90/570613390.db2.gz NTKDPPDFEWBQGE-UHFFFAOYSA-N 0 0 388.279 5.851 50 0 GKAARN Clc1ccc2[nH]c(-c3cccc(-c4nc5cc(Cl)ccc5[nH]4)c3)nc2c1 ZINC000005491178 570613494 /nfs/dbraw/zinc/61/34/94/570613494.db2.gz HGJYKEFHUNIXAN-UHFFFAOYSA-N 0 0 379.250 6.080 50 0 GKAARN Cc1cccc(-c2cc(OC(=O)c3ccccc3C)cc3sc(=O)oc32)c1 ZINC000006809709 570613719 /nfs/dbraw/zinc/61/37/19/570613719.db2.gz QUARRKMTQSINHO-UHFFFAOYSA-N 0 0 376.433 5.358 50 0 GKAARN COc1ccc(Cl)cc1N=[P@@](c1ccncc1)(N1CCCC1)C(C)(C)C ZINC000005496490 570614327 /nfs/dbraw/zinc/61/43/27/570614327.db2.gz IHNBGTXDRXRIFL-SANMLTNESA-N 0 0 391.883 5.711 50 0 GKAARN O=C(c1cnc(-c2ccccc2)s1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000225766207 570614419 /nfs/dbraw/zinc/61/44/19/570614419.db2.gz QBCGAVHCYUFUHO-OAHLLOKOSA-N 0 0 380.435 5.005 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@H](OCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036315874 570614425 /nfs/dbraw/zinc/61/44/25/570614425.db2.gz HKMNFSUWSNUYKA-IBGZPJMESA-N 0 0 392.421 5.227 50 0 GKAARN CCCC1=NO[C@@H](Cc2ccccc2OCc2ccc(Cl)cc2Cl)C1 ZINC000005501804 570615304 /nfs/dbraw/zinc/61/53/04/570615304.db2.gz GHFHICANYQYTCN-SFHVURJKSA-N 0 0 378.299 6.060 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000006810708 570615447 /nfs/dbraw/zinc/61/54/47/570615447.db2.gz RJYQQBPFUBWOPH-UHFFFAOYSA-N 0 0 393.870 6.139 50 0 GKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)c2ccc(Cl)s2)n1 ZINC000005501574 570615401 /nfs/dbraw/zinc/61/54/01/570615401.db2.gz QNOVQEIYBOMXOL-UHFFFAOYSA-N 0 0 388.901 5.628 50 0 GKAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 ZINC000033000389 570617307 /nfs/dbraw/zinc/61/73/07/570617307.db2.gz VRIJEWASAFFSQE-UHFFFAOYSA-N 0 0 399.541 5.156 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1COc1ccccc1 ZINC000033002067 570617449 /nfs/dbraw/zinc/61/74/49/570617449.db2.gz UGWQFFDRIDJLLL-UHFFFAOYSA-N 0 0 379.362 5.542 50 0 GKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000033004023 570618269 /nfs/dbraw/zinc/61/82/69/570618269.db2.gz KJJWVSMXGGLVDZ-FQEVSTJZSA-N 0 0 390.414 5.430 50 0 GKAARN Cc1ccccc1CNC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000064968499 570618430 /nfs/dbraw/zinc/61/84/30/570618430.db2.gz WUSSYPUTOPEJFZ-UHFFFAOYSA-N 0 0 390.870 5.310 50 0 GKAARN C[C@H]1CCc2c(sc3nc(-c4cc5ccccc5oc4=O)nc(Cl)c32)C1 ZINC000006817183 570618524 /nfs/dbraw/zinc/61/85/24/570618524.db2.gz SPDGEZCNRZPCBM-JTQLQIEISA-N 0 0 382.872 5.243 50 0 GKAARN COc1ccc(-c2noc(-c3cccnc3N[C@H](C)c3ccc(C)cc3)n2)cc1 ZINC000033004401 570618548 /nfs/dbraw/zinc/61/85/48/570618548.db2.gz OSUZDGSLRGGSAO-MRXNPFEDSA-N 0 0 386.455 5.289 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968076 570618808 /nfs/dbraw/zinc/61/88/08/570618808.db2.gz SLKSVFCNTPZQLO-UHFFFAOYSA-N 0 0 384.479 5.736 50 0 GKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000006817906 570620728 /nfs/dbraw/zinc/62/07/28/570620728.db2.gz LJKBIBVHPMXOMZ-UHFFFAOYSA-N 0 0 384.913 6.263 50 0 GKAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3cccc(Cl)c3C)cc2s1 ZINC000033008037 570620781 /nfs/dbraw/zinc/62/07/81/570620781.db2.gz JGAWMLFWYIMAAA-UHFFFAOYSA-N 0 0 388.880 5.251 50 0 GKAARN Cc1ccc(C2=NC(=CNc3cc(Cl)c(Cl)cc3Cl)C(=O)O2)cc1 ZINC000004590724 570621816 /nfs/dbraw/zinc/62/18/16/570621816.db2.gz FQKFASSKGHGHPL-NVNXTCNLSA-N 0 0 381.646 5.212 50 0 GKAARN COc1ccc2oc(C(=O)Nc3cc(Cl)ccc3N3CCCC3)c(C)c2c1 ZINC000006820460 570622068 /nfs/dbraw/zinc/62/20/68/570622068.db2.gz KSEKTMQUKIHTMC-UHFFFAOYSA-N 0 0 384.863 5.256 50 0 GKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4cccc(F)c4)c3)ncn2)cc1 ZINC000033010555 570622116 /nfs/dbraw/zinc/62/21/16/570622116.db2.gz IBHYHTRJKNLXKA-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012192496 570622152 /nfs/dbraw/zinc/62/21/52/570622152.db2.gz HDYHUPWQSNOGGT-AHWVRZQESA-N 0 0 382.507 6.361 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000033010632 570622201 /nfs/dbraw/zinc/62/22/01/570622201.db2.gz DRRYDLRKFZMXKW-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN CC(C)Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192208 570622393 /nfs/dbraw/zinc/62/23/93/570622393.db2.gz CGFNUPMHFJHTJC-NOZRDPDXSA-N 0 0 384.479 5.716 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012192503 570622397 /nfs/dbraw/zinc/62/23/97/570622397.db2.gz HDYHUPWQSNOGGT-RSXGOPAZSA-N 0 0 382.507 6.361 50 0 GKAARN CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012193793 570622530 /nfs/dbraw/zinc/62/25/30/570622530.db2.gz KLQZPKLIYCUYQS-ILBGXUMGSA-N 0 0 384.479 5.636 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)c1 ZINC000033010913 570622780 /nfs/dbraw/zinc/62/27/80/570622780.db2.gz DWZGAFUAEUKPDH-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033010884 570622858 /nfs/dbraw/zinc/62/28/58/570622858.db2.gz YECZFBRKEVYIEO-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1cc2sc(N3CCC[C@@H](C(=O)N[C@@H](C)c4ccccc4)C3)nc2c(C)c1 ZINC000006821319 570622986 /nfs/dbraw/zinc/62/29/86/570622986.db2.gz GVGJXGQXTMSYFK-PKOBYXMFSA-N 0 0 393.556 5.007 50 0 GKAARN Cc1cc2sc(N3CCC[C@H](C(=O)N[C@@H](C)c4ccccc4)C3)nc2c(C)c1 ZINC000006821315 570623035 /nfs/dbraw/zinc/62/30/35/570623035.db2.gz GVGJXGQXTMSYFK-HKUYNNGSSA-N 0 0 393.556 5.007 50 0 GKAARN CCCCN(CC)C(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1 ZINC000033010779 570623101 /nfs/dbraw/zinc/62/31/01/570623101.db2.gz FUNSFTZYTHBXAH-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN CCc1cccc(NC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)c1 ZINC000006821182 570623093 /nfs/dbraw/zinc/62/30/93/570623093.db2.gz ZVPAUELIVLMTBF-UHFFFAOYSA-N 0 0 393.556 5.331 50 0 GKAARN FC(F)(F)c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000005515900 570623351 /nfs/dbraw/zinc/62/33/51/570623351.db2.gz RFIAALLMCAOKHI-RBBKRZOGSA-N 0 0 394.396 5.948 50 0 GKAARN Cc1ccc(C)c(OCc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c1 ZINC000033011696 570623570 /nfs/dbraw/zinc/62/35/70/570623570.db2.gz DDVLQUPVYAAOKJ-UHFFFAOYSA-N 0 0 386.904 5.174 50 0 GKAARN COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2cccnc2)cc1 ZINC000005516151 570623632 /nfs/dbraw/zinc/62/36/32/570623632.db2.gz LRFBWNQCLZYDTO-LVWGJNHUSA-N 0 0 391.471 5.040 50 0 GKAARN COc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169708226 570624514 /nfs/dbraw/zinc/62/45/14/570624514.db2.gz DJRYYGGWJYLRST-AVRDEDQJSA-N 0 0 394.858 5.492 50 0 GKAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc(F)cc2C)n1 ZINC000006822849 570624591 /nfs/dbraw/zinc/62/45/91/570624591.db2.gz QADWBHQCFCIYDF-UHFFFAOYSA-N 0 0 381.842 5.277 50 0 GKAARN CCCC(CCC)CNC(=O)c1ccc(C(=O)NC[C@@H](CC)CCC)s1 ZINC000005525628 570624839 /nfs/dbraw/zinc/62/48/39/570624839.db2.gz BJMKQFXCIFTNCW-INIZCTEOSA-N 0 0 380.598 5.250 50 0 GKAARN Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1ccc(F)cc1 ZINC000006825963 570624870 /nfs/dbraw/zinc/62/48/70/570624870.db2.gz RQNRWZYDIXJMSR-UHFFFAOYSA-N 0 0 385.508 5.123 50 0 GKAARN CC(C)(C)CC(C)(C)Nc1c(C2CCCCC2)nc2c(Cl)cc(Cl)cn21 ZINC000004594217 570624881 /nfs/dbraw/zinc/62/48/81/570624881.db2.gz 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COc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2)c1 ZINC000004615796 570672088 /nfs/dbraw/zinc/67/20/88/570672088.db2.gz YLPMNZLWZNCTAH-LCUIJRPUSA-N 0 0 384.435 5.235 50 0 GKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)[C@H](C)c1cccs1 ZINC000012469758 570672242 /nfs/dbraw/zinc/67/22/42/570672242.db2.gz ZNCJBTHXFAJLBG-GFCCVEGCSA-N 0 0 380.435 5.923 50 0 GKAARN Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2cccc(-c3ccccc3)c2n1 ZINC000033036692 570672420 /nfs/dbraw/zinc/67/24/20/570672420.db2.gz PTEVGUPHQUNZDX-IBGZPJMESA-N 0 0 394.518 5.961 50 0 GKAARN CCOc1ccccc1CNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12 ZINC000033036716 570672441 /nfs/dbraw/zinc/67/24/41/570672441.db2.gz IWYHQPJHKNVCDX-UHFFFAOYSA-N 0 0 396.490 5.539 50 0 GKAARN Cc1ccc(CNC(=O)c2cc(C)nc3c(-c4ccc(F)cc4)cccc23)cc1 ZINC000033036764 570672461 /nfs/dbraw/zinc/67/24/61/570672461.db2.gz HYOFQCJJCVVYEL-UHFFFAOYSA-N 0 0 384.454 5.588 50 0 GKAARN COc1cccc(CNC(=O)c2cc(C)nc3c(-c4ccccc4)cccc23)c1 ZINC000033036684 570672560 /nfs/dbraw/zinc/67/25/60/570672560.db2.gz CFOOEHTYRBYIGJ-UHFFFAOYSA-N 0 0 382.463 5.149 50 0 GKAARN Cc1ccc(-c2cccc3c(C(=O)NCc4cccc(F)c4)cc(C)nc23)cc1 ZINC000033036992 570672988 /nfs/dbraw/zinc/67/29/88/570672988.db2.gz SOCKWGNYOWYCKM-UHFFFAOYSA-N 0 0 384.454 5.588 50 0 GKAARN O=C(Cc1cc(-c2cccs2)on1)Nc1ccc(Nc2ccccc2)cc1 ZINC000012422282 570673143 /nfs/dbraw/zinc/67/31/43/570673143.db2.gz OHQTXCAFWJKZMP-UHFFFAOYSA-N 0 0 375.453 5.328 50 0 GKAARN c1sc(CNc2nc(-c3ccncc3)nc3ccccc32)nc1-c1ccccc1 ZINC000036391428 570673483 /nfs/dbraw/zinc/67/34/83/570673483.db2.gz NCGDYHWWKROZHG-UHFFFAOYSA-N 0 0 395.491 5.427 50 0 GKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)Nc4ccc(F)cc4)cc3)n2)cc1 ZINC000065063242 570674272 /nfs/dbraw/zinc/67/42/72/570674272.db2.gz KMUYUIVQGHOKQE-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000065063270 570674377 /nfs/dbraw/zinc/67/43/77/570674377.db2.gz MNNIGPJDVGIEGR-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN CCOc1ccccc1-c1nc(CN2CCCC[C@@H]2c2ccccn2)c(C)o1 ZINC000012430965 570674796 /nfs/dbraw/zinc/67/47/96/570674796.db2.gz JLNQOZDZLRRUAV-OAQYLSRUSA-N 0 0 377.488 5.171 50 0 GKAARN Cn1cccc1[C@H]1CCCCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000036391903 570675172 /nfs/dbraw/zinc/67/51/72/570675172.db2.gz MYLDYMAMZACPAQ-RUZDIDTESA-N 0 0 386.539 5.691 50 0 GKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cc(Cl)cc(Cl)c1 ZINC000006864982 570675718 /nfs/dbraw/zinc/67/57/18/570675718.db2.gz JOGVMPPIRFQCHR-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1ccccc1 ZINC000006881608 570675773 /nfs/dbraw/zinc/67/57/73/570675773.db2.gz VBMMRMZRNWUHSO-BUHFOSPRSA-N 0 0 381.397 5.948 50 0 GKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCCCC2)cc1 ZINC000012437851 570675865 /nfs/dbraw/zinc/67/58/65/570675865.db2.gz ZYELTGXWJDQTBE-UHFFFAOYSA-N 0 0 394.540 5.065 50 0 GKAARN O=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 ZINC000053944027 570675930 /nfs/dbraw/zinc/67/59/30/570675930.db2.gz KGFAQBZKDJCRNC-UHFFFAOYSA-N 0 0 388.854 5.584 50 0 GKAARN CC(=O)N(c1nc(CSc2nc3ccccc3o2)cs1)c1cccc(C)c1 ZINC000005628553 570676050 /nfs/dbraw/zinc/67/60/50/570676050.db2.gz FKNUMSCQADTHRO-UHFFFAOYSA-N 0 0 395.509 5.570 50 0 GKAARN Cc1nc(NC(=O)CSc2nc3ccccc3s2)c(Cl)cc1Cl ZINC000005629102 570676244 /nfs/dbraw/zinc/67/62/44/570676244.db2.gz NOVALCQDSLRXKG-UHFFFAOYSA-N 0 0 384.313 5.037 50 0 GKAARN CC(C)N(Cc1ccccc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000005633168 570676494 /nfs/dbraw/zinc/67/64/94/570676494.db2.gz WNEVFHZYVUQKIL-QHCPKHFHSA-N 0 0 375.537 5.957 50 0 GKAARN Cc1cc(NC(=O)CCC2CCCC2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441871 570677176 /nfs/dbraw/zinc/67/71/76/570677176.db2.gz KECPRRULPVOAQP-UHFFFAOYSA-N 0 0 394.544 5.522 50 0 GKAARN Cc1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1C ZINC000032578532 570677547 /nfs/dbraw/zinc/67/75/47/570677547.db2.gz KIJHWYFRKCPIEF-UHFFFAOYSA-N 0 0 399.450 5.185 50 0 GKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)c1c[nH]c2ccccc12 ZINC000006882147 570677781 /nfs/dbraw/zinc/67/77/81/570677781.db2.gz VYHQBQFGGFNGOH-UHFFFAOYSA-N 0 0 398.462 5.025 50 0 GKAARN CCNc1cc(Oc2ncnc3scc(-c4ccc(C)cc4)c32)ccc1C ZINC000005638154 570678096 /nfs/dbraw/zinc/67/80/96/570678096.db2.gz QMCOBYUKJBDOFY-UHFFFAOYSA-N 0 0 375.497 6.199 50 0 GKAARN COc1ccc(-c2c(C)c3ccc(OCC=C(C)C)cc3oc2=O)cc1OC ZINC000004340096 570678322 /nfs/dbraw/zinc/67/83/22/570678322.db2.gz OUNZHGYRELFPEV-UHFFFAOYSA-N 0 0 380.440 5.131 50 0 biogenic GKAARN CCOc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000000868971 570678423 /nfs/dbraw/zinc/67/84/23/570678423.db2.gz RVUVOELHWCGEFR-UHFFFAOYSA-N 0 0 376.387 5.285 50 0 GKAARN COc1cccc(-c2csc(-c3nc(-c4ccc(C)cc4)c(C)s3)n2)c1 ZINC000033040021 570678467 /nfs/dbraw/zinc/67/84/67/570678467.db2.gz BPPSWEJPGMWJCT-UHFFFAOYSA-N 0 0 378.522 6.226 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000005647002 570679284 /nfs/dbraw/zinc/67/92/84/570679284.db2.gz NJYGPRPNVZTVIW-GZTJUZNOSA-N 0 0 384.218 5.598 50 0 GKAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1Cl ZINC000016527097 570679626 /nfs/dbraw/zinc/67/96/26/570679626.db2.gz GFLOMVTYYIGIHI-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000032594198 570679942 /nfs/dbraw/zinc/67/99/42/570679942.db2.gz JMAJATPQSASOSH-LJQANCHMSA-N 0 0 391.515 5.078 50 0 GKAARN Cc1oc(-c2cccc(F)c2)nc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000055042347 570680210 /nfs/dbraw/zinc/68/02/10/570680210.db2.gz JTTBBZPHVFLXMT-UHFFFAOYSA-N 0 0 378.369 5.440 50 0 GKAARN COc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000012563294 570680399 /nfs/dbraw/zinc/68/03/99/570680399.db2.gz QARVKNZCPZTFQD-VINFYQEGSA-N 0 0 375.512 5.480 50 0 GKAARN COc1cc2c(cc1OCc1ccccc1)CN=C2Cc1ccc(C(C)=O)cc1 ZINC000003122423 570680467 /nfs/dbraw/zinc/68/04/67/570680467.db2.gz SCOCLVIAXISZAD-UHFFFAOYSA-N 0 0 385.463 5.022 50 0 GKAARN CC[C@@](C)(OC(=O)c1ccc(Br)cc1)[C@@](C)(CC)c1ccccc1 ZINC000003132604 570680761 /nfs/dbraw/zinc/68/07/61/570680761.db2.gz WMSRUBHZRHNWHT-LEWJYISDSA-N 0 0 389.333 6.143 50 0 GKAARN C=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000003132613 570680774 /nfs/dbraw/zinc/68/07/74/570680774.db2.gz JWCQJEMOTHGHHH-UHFFFAOYSA-N 0 0 382.506 7.778 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc21 ZINC000003136066 570681147 /nfs/dbraw/zinc/68/11/47/570681147.db2.gz GGEIOIKHQSHPKZ-UHFFFAOYSA-N 0 0 383.278 6.374 50 0 GKAARN O=C(NCCCOC1CCCCC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000036397469 570681715 /nfs/dbraw/zinc/68/17/15/570681715.db2.gz BWSDHAGWZQFSSB-RBUKOAKNSA-N 0 0 398.572 5.202 50 0 GKAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCc2cccc(F)c2)nn1 ZINC000008875928 570684189 /nfs/dbraw/zinc/68/41/89/570684189.db2.gz TWEHPQKLQFNTAT-UHFFFAOYSA-N 0 0 394.500 5.402 50 0 GKAARN CCOc1cccc2cc(C(=O)Nc3ccc(C)cc3C(=O)c3ccccc3)oc21 ZINC000008960769 570684204 /nfs/dbraw/zinc/68/42/04/570684204.db2.gz KQVQSTWNHSOXRK-UHFFFAOYSA-N 0 0 399.446 5.623 50 0 GKAARN CCOc1cccc2cc(C(=O)Nc3nc4c(s3)COc3ccccc3-4)oc21 ZINC000008960843 570684290 /nfs/dbraw/zinc/68/42/90/570684290.db2.gz FCPGQBKBTCINHL-UHFFFAOYSA-N 0 0 392.436 5.100 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000005660260 570684646 /nfs/dbraw/zinc/68/46/46/570684646.db2.gz BVGRJKCZXYLGTH-UHFFFAOYSA-N 0 0 399.294 5.162 50 0 GKAARN C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1 ZINC000015482401 570684731 /nfs/dbraw/zinc/68/47/31/570684731.db2.gz FYKHFNBAFUSGAP-SNVBAGLBSA-N 0 0 382.678 5.548 50 0 GKAARN C[C@H]1CCC[C@H](C)N1Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000005660314 570684853 /nfs/dbraw/zinc/68/48/53/570684853.db2.gz TUYKJMLVUBXSOK-ROUUACIJSA-N 0 0 378.545 5.291 50 0 GKAARN Cc1ccc(-n2cc(CN(C)[C@@H](C)c3ccncn3)c(-c3cccc(C)c3)n2)cc1 ZINC000055153823 570684976 /nfs/dbraw/zinc/68/49/76/570684976.db2.gz CNXGQIHDLFNBHR-FQEVSTJZSA-N 0 0 397.526 5.139 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)N1CCS[C@@H](c2ccccc2C)CC1 ZINC000219298549 570686641 /nfs/dbraw/zinc/68/66/41/570686641.db2.gz BZUJLNOOIFTAHE-LJQANCHMSA-N 0 0 390.936 5.369 50 0 GKAARN Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccccc2C(F)(F)F)CCS1 ZINC000219297918 570686710 /nfs/dbraw/zinc/68/67/10/570686710.db2.gz SHIKUWXPAZGBJK-GOSISDBHSA-N 0 0 394.462 5.726 50 0 GKAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)s2)cc1 ZINC000065085352 570688949 /nfs/dbraw/zinc/68/89/49/570688949.db2.gz GCSUDBSBZHRDDW-UHFFFAOYSA-N 0 0 399.537 5.265 50 0 GKAARN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1cccs1 ZINC000032609875 570690001 /nfs/dbraw/zinc/69/00/01/570690001.db2.gz KIHJZINPGQZJFS-UHFFFAOYSA-N 0 0 396.299 5.157 50 0 GKAARN Cc1ccc(-n2cc(CN(C)Cc3cccnc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055282885 570690229 /nfs/dbraw/zinc/69/02/29/570690229.db2.gz QELQKKVCFRNZFP-UHFFFAOYSA-N 0 0 386.474 5.014 50 0 GKAARN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C1CCCCC1 ZINC000032610734 570690568 /nfs/dbraw/zinc/69/05/68/570690568.db2.gz JUVDOKWTBKRYLT-UHFFFAOYSA-N 0 0 396.318 5.362 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000032611708 570691001 /nfs/dbraw/zinc/69/10/01/570691001.db2.gz QUYCKVNHZLIFHK-UHFFFAOYSA-N 0 0 394.689 5.702 50 0 GKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012617481 570691009 /nfs/dbraw/zinc/69/10/09/570691009.db2.gz BDLCHTBVAQIDHY-NQIIRXRSSA-N 0 0 380.900 5.952 50 0 GKAARN COc1ccc(N(Cc2ccc(Cl)c(Cl)c2)c2snnc2C)cc1 ZINC000032611843 570691017 /nfs/dbraw/zinc/69/10/17/570691017.db2.gz CVQVCOOYSFISTM-UHFFFAOYSA-N 0 0 380.300 5.500 50 0 GKAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000012615953 570691060 /nfs/dbraw/zinc/69/10/60/570691060.db2.gz RCPUZEHHYCXDQM-JOCHJYFZSA-N 0 0 383.495 5.356 50 0 GKAARN Cc1oc(-c2cccs2)nc1CSc1nncn2c3ccsc3cc12 ZINC000006893771 570691557 /nfs/dbraw/zinc/69/15/57/570691557.db2.gz HQIFSNSNJNXPDY-UHFFFAOYSA-N 0 0 384.511 5.261 50 0 GKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nncn2c3ccsc3cc12 ZINC000006893770 570691720 /nfs/dbraw/zinc/69/17/20/570691720.db2.gz JNGOHVVDNMRONZ-UHFFFAOYSA-N 0 0 392.509 5.508 50 0 GKAARN CC[C@@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccccc1C ZINC000006893866 570692006 /nfs/dbraw/zinc/69/20/06/570692006.db2.gz WFUUYMQQMTXKSS-QGZVFWFLSA-N 0 0 396.541 5.070 50 0 GKAARN COc1cc([C@@H]2CC(=O)c3c(ccc4ccccc43)N2)cc(Br)c1O ZINC000005798327 570692069 /nfs/dbraw/zinc/69/20/69/570692069.db2.gz KVCQACYCNKIEPS-INIZCTEOSA-N 0 0 398.256 5.056 50 0 GKAARN CCCCCC[C@H](C)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000012630053 570692836 /nfs/dbraw/zinc/69/28/36/570692836.db2.gz INCLDTYNLVIHDF-FQEVSTJZSA-N 0 0 380.532 5.607 50 0 GKAARN Cc1c(C(=O)Nc2cc(F)ccc2F)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000006894470 570693714 /nfs/dbraw/zinc/69/37/14/570693714.db2.gz ZVTHYUUKTVMECN-UHFFFAOYSA-N 0 0 385.366 5.016 50 0 GKAARN Cc1c(C(=O)Nc2c(C)cccc2C)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000006894454 570693767 /nfs/dbraw/zinc/69/37/67/570693767.db2.gz INNJZQRJQHOICM-UHFFFAOYSA-N 0 0 377.440 5.354 50 0 GKAARN Cc1c(C(=O)Nc2cccc(C)c2C)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000006894453 570693895 /nfs/dbraw/zinc/69/38/95/570693895.db2.gz ZSUPKKBJXPLYDM-UHFFFAOYSA-N 0 0 377.440 5.354 50 0 GKAARN Cc1c(C(=O)NCc2ccc(C)cc2)oc2ccc3c(c12)C=CC1(CCCC1)O3 ZINC000006894479 570693910 /nfs/dbraw/zinc/69/39/10/570693910.db2.gz PVDXPXKYQVMCIJ-UHFFFAOYSA-N 0 0 387.479 5.698 50 0 biogenic GKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC1CCCCC1 ZINC000055390954 570693955 /nfs/dbraw/zinc/69/39/55/570693955.db2.gz JGYVDNKABBHFIK-UHFFFAOYSA-N 0 0 391.540 5.285 50 0 GKAARN COc1ccccc1-c1nnc(SCc2ccc(C)cc2)n1-c1ccccc1 ZINC000004356411 570695258 /nfs/dbraw/zinc/69/52/58/570695258.db2.gz XHMYMRGHCZSWOS-UHFFFAOYSA-N 0 0 387.508 5.544 50 0 GKAARN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)C1(c2ccccc2)CCCC1 ZINC000012651761 570695451 /nfs/dbraw/zinc/69/54/51/570695451.db2.gz ZVWRFNGWKLKRMA-UHFFFAOYSA-N 0 0 397.478 5.018 50 0 GKAARN COc1ccc2oc(-c3noc(COc4ccc(Cl)cc4C)n3)c(C)c2c1 ZINC000065097313 570695509 /nfs/dbraw/zinc/69/55/09/570695509.db2.gz LIJPHBJCKWATSV-UHFFFAOYSA-N 0 0 384.819 5.341 50 0 GKAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc2ccccc21 ZINC000012654141 570695876 /nfs/dbraw/zinc/69/58/76/570695876.db2.gz MXPDQKAPZNOEQX-UHFFFAOYSA-N 0 0 392.846 5.207 50 0 GKAARN FC(F)(F)c1cccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000055542918 570696192 /nfs/dbraw/zinc/69/61/92/570696192.db2.gz HJHAWNUNTJZSRX-UHFFFAOYSA-N 0 0 388.355 5.046 50 0 GKAARN CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000004356708 570696502 /nfs/dbraw/zinc/69/65/02/570696502.db2.gz LKBUKHBHZUAMPE-UHFFFAOYSA-N 0 0 378.328 5.990 50 0 GKAARN COP(=O)(OC)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000002593653 570696663 /nfs/dbraw/zinc/69/66/63/570696663.db2.gz LBWCPQUBOGZPEI-HNNXBMFYSA-N 0 0 377.274 5.441 50 0 GKAARN Cc1ccc(-n2c(SCc3ccc(C)c(C)c3)nnc2C2CCCCC2)cc1 ZINC000004357215 570696867 /nfs/dbraw/zinc/69/68/67/570696867.db2.gz HDJPLWQYDAHJLQ-UHFFFAOYSA-N 0 0 391.584 6.533 50 0 GKAARN Fc1ccccc1-c1nnc(SCc2ccccc2Cl)n1-c1ccccc1 ZINC000004357173 570696956 /nfs/dbraw/zinc/69/69/56/570696956.db2.gz NEHHNQGANLNVNB-UHFFFAOYSA-N 0 0 395.890 6.019 50 0 GKAARN Fc1ccccc1-n1c(SCc2c(F)cccc2F)nnc1-c1ccco1 ZINC000004357543 570697242 /nfs/dbraw/zinc/69/72/42/570697242.db2.gz 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/nfs/dbraw/zinc/69/86/62/570698662.db2.gz AOJPADYTWRWDPS-UHFFFAOYSA-N 0 0 379.460 5.576 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2cccc(C)c2C)n1 ZINC000065114576 570699909 /nfs/dbraw/zinc/69/99/09/570699909.db2.gz IJTWTTDHAWTMRA-OAHLLOKOSA-N 0 0 388.515 5.171 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(Cl)cc2)n1 ZINC000065114530 570699915 /nfs/dbraw/zinc/69/99/15/570699915.db2.gz KZHYTZXIALTKHO-CQSZACIVSA-N 0 0 394.906 5.207 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2cccc(Cl)c2)n1 ZINC000065114565 570700087 /nfs/dbraw/zinc/70/00/87/570700087.db2.gz VHDCPJJFLLQKGB-AWEZNQCLSA-N 0 0 394.906 5.207 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccc(C)cc3)cc12 ZINC000006913051 570700091 /nfs/dbraw/zinc/70/00/91/570700091.db2.gz KSMVXXFNQAYHHS-UHFFFAOYSA-N 0 0 382.507 5.545 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)o1 ZINC000006913489 570700426 /nfs/dbraw/zinc/70/04/26/570700426.db2.gz GNCYVGLSZJMLDY-UHFFFAOYSA-N 0 0 390.458 5.277 50 0 GKAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC(C)C)cc12 ZINC000006913551 570700483 /nfs/dbraw/zinc/70/04/83/570700483.db2.gz YYWHPQSCEICEMW-UHFFFAOYSA-N 0 0 382.935 5.736 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=O)CCCCCn2cccc2)c2ccccc12 ZINC000604419056 570700685 /nfs/dbraw/zinc/70/06/85/570700685.db2.gz QXMBGTCSLWQFNY-QHCPKHFHSA-N 0 0 390.527 5.574 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(N2CCCc3ccccc32)s1 ZINC000006913790 570700994 /nfs/dbraw/zinc/70/09/94/570700994.db2.gz BOPJKFFROUHCTM-SFHVURJKSA-N 0 0 390.552 5.584 50 0 GKAARN COc1cccc(-n2nnc(-c3nc(-c4ccccc4Cl)cs3)c2C)c1 ZINC000057510644 570702296 /nfs/dbraw/zinc/70/22/96/570702296.db2.gz XBSNXNNTRIBOKV-UHFFFAOYSA-N 0 0 382.876 5.028 50 0 GKAARN CCCNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(Cl)c2)n1 ZINC000017286279 570702576 /nfs/dbraw/zinc/70/25/76/570702576.db2.gz PPLVITAATWZZPF-UHFFFAOYSA-N 0 0 378.867 5.034 50 0 GKAARN Cc1cc(C)c(C2=NN(c3ccccc3F)[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]1 ZINC000004625551 570702797 /nfs/dbraw/zinc/70/27/97/570702797.db2.gz IQWOWURGRVGCDE-FQEVSTJZSA-N 0 0 395.865 5.140 50 0 GKAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccc2)cc1 ZINC000065114122 570702773 /nfs/dbraw/zinc/70/27/73/570702773.db2.gz AVZVLRARUYDAJG-UHFFFAOYSA-N 0 0 385.423 5.261 50 0 GKAARN COc1ccc([C@@H](C)N(C)Cc2nc(-c3ccc(OC)c(C)c3)oc2C)cc1 ZINC000012710963 570702795 /nfs/dbraw/zinc/70/27/95/570702795.db2.gz SLOXJPVEQWLWOV-MRXNPFEDSA-N 0 0 380.488 5.169 50 0 GKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000006917528 570703661 /nfs/dbraw/zinc/70/36/61/570703661.db2.gz YBDOAJFZNDLPQK-UHFFFAOYSA-N 0 0 378.472 5.165 50 0 GKAARN CC(C)c1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000006914979 570705316 /nfs/dbraw/zinc/70/53/16/570705316.db2.gz UDOZUQSDQAIRTK-QFIPXVFZSA-N 0 0 387.458 6.201 50 0 GKAARN COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)s3)no2)c1 ZINC000032622287 570707097 /nfs/dbraw/zinc/70/70/97/570707097.db2.gz OJPUOHUATMLBOA-UHFFFAOYSA-N 0 0 391.452 5.034 50 0 GKAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032622990 570707125 /nfs/dbraw/zinc/70/71/25/570707125.db2.gz VXPRUOWCBAAHOY-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000032622215 570707139 /nfs/dbraw/zinc/70/71/39/570707139.db2.gz PLKNIKZMJJHTKO-UHFFFAOYSA-N 0 0 399.450 5.443 50 0 GKAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccccc4C)cc3)n2)cc1 ZINC000032623234 570707547 /nfs/dbraw/zinc/70/75/47/570707547.db2.gz ZKUWISPYXYMUOP-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(Br)ccc1Cl ZINC000006926757 570708220 /nfs/dbraw/zinc/70/82/20/570708220.db2.gz ZWNUUXPDPBHSFR-UHFFFAOYSA-N 0 0 385.645 5.104 50 0 GKAARN O=C(Cc1ccccc1)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000032623617 570708185 /nfs/dbraw/zinc/70/81/85/570708185.db2.gz PDTUVLZMPYGEKA-UHFFFAOYSA-N 0 0 389.842 5.238 50 0 GKAARN CCOc1cc(CN(C(=O)Nc2cccc(C)c2)C2CC2)ccc1OC(F)F ZINC000017742781 570708428 /nfs/dbraw/zinc/70/84/28/570708428.db2.gz BNPNKUCYGUBEDQ-UHFFFAOYSA-N 0 0 390.430 5.192 50 0 GKAARN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000000677703 570708893 /nfs/dbraw/zinc/70/88/93/570708893.db2.gz VNZGEKZRCOEYPT-UHFFFAOYSA-N 0 0 392.455 5.090 50 0 GKAARN COc1ccc(CNc2ccc(Br)cc2C)cc1Br ZINC000000647168 570708921 /nfs/dbraw/zinc/70/89/21/570708921.db2.gz AOWSOXRLBKYPDJ-UHFFFAOYSA-N 0 0 385.099 5.141 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1F ZINC000000695690 570709146 /nfs/dbraw/zinc/70/91/46/570709146.db2.gz URVRJMREBWNUQC-UHFFFAOYSA-N 0 0 378.028 5.539 50 0 aggregator GKAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000058104696 570709388 /nfs/dbraw/zinc/70/93/88/570709388.db2.gz PUIGUNAYRBXDBY-AWEZNQCLSA-N 0 0 396.874 5.046 50 0 GKAARN O=C(CSCc1cccc(Br)c1)Nc1cccc2ccccc21 ZINC000000754745 570709470 /nfs/dbraw/zinc/70/94/70/570709470.db2.gz PDIOUGFRESPBQT-UHFFFAOYSA-N 0 0 386.314 5.474 50 0 GKAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)C4CCCC4)CC3)cc2)c1 ZINC000012754701 570710287 /nfs/dbraw/zinc/71/02/87/570710287.db2.gz DKDIZUDVBKFMSR-UHFFFAOYSA-N 0 0 390.527 5.029 50 0 GKAARN COc1cccc(-c2nc(-c3ccc4oc(-c5ccccc5)nc4c3)no2)c1OC ZINC000065149821 570711088 /nfs/dbraw/zinc/71/10/88/570711088.db2.gz NTZMIHSVBYIBBA-UHFFFAOYSA-N 0 0 399.406 5.229 50 0 GKAARN Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cccc(C)c2)cc1 ZINC000004366459 570711587 /nfs/dbraw/zinc/71/15/87/570711587.db2.gz QSDBVTOQAOZZDD-UHFFFAOYSA-N 0 0 399.563 6.460 50 0 GKAARN Cc1cccc(-n2c(SCc3ccc(Cl)cc3)nnc2C2CCCCC2)c1 ZINC000004366368 570711590 /nfs/dbraw/zinc/71/15/90/570711590.db2.gz MGCFOTKNGJNGMX-UHFFFAOYSA-N 0 0 397.975 6.569 50 0 GKAARN Cc1ccc(CSc2nnc(C3CC3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000004366329 570711593 /nfs/dbraw/zinc/71/15/93/570711593.db2.gz ZMIOXPQWQRVLHK-UHFFFAOYSA-N 0 0 390.339 6.052 50 0 GKAARN COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000001124828 570712118 /nfs/dbraw/zinc/71/21/18/570712118.db2.gz XWVSXGWHZOIQKB-UHFFFAOYSA-N 0 0 382.257 5.377 50 0 GKAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058160407 570712342 /nfs/dbraw/zinc/71/23/42/570712342.db2.gz ZNTWZROIHHAVGF-OAHLLOKOSA-N 0 0 389.524 5.228 50 0 GKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1 ZINC000001156954 570712843 /nfs/dbraw/zinc/71/28/43/570712843.db2.gz YCXBMBAVGJRTFV-UHFFFAOYSA-N 0 0 378.575 5.374 50 0 GKAARN Cc1cnc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C(C)C)cn1 ZINC000012787734 570712992 /nfs/dbraw/zinc/71/29/92/570712992.db2.gz YVJUQOQIQRXPLP-UHFFFAOYSA-N 0 0 388.496 5.497 50 0 GKAARN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000001184168 570713307 /nfs/dbraw/zinc/71/33/07/570713307.db2.gz JLKJTBMWRBGIOU-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000001185663 570713401 /nfs/dbraw/zinc/71/34/01/570713401.db2.gz NCKABKRUIRELHS-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012789750 570713785 /nfs/dbraw/zinc/71/37/85/570713785.db2.gz UYQIJXJCBRENFB-UHFFFAOYSA-N 0 0 389.520 5.074 50 0 GKAARN O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-c2nc3ccccc3s2)o1 ZINC000012790324 570713897 /nfs/dbraw/zinc/71/38/97/570713897.db2.gz RRWNVSCFLVCUDN-CQSZACIVSA-N 0 0 392.505 5.523 50 0 GKAARN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1C ZINC000006935748 570714163 /nfs/dbraw/zinc/71/41/63/570714163.db2.gz CWZFJDLVPDNPTI-UHFFFAOYSA-N 0 0 393.918 5.799 50 0 GKAARN CCN(CC)c1ccc(NC(=O)c2cc(Br)ccc2Cl)c(C)c1 ZINC000001119680 570714572 /nfs/dbraw/zinc/71/45/72/570714572.db2.gz OZQXKZKSHCHEFP-UHFFFAOYSA-N 0 0 395.728 5.509 50 0 GKAARN O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(-c2cccc(Cl)c2)on1 ZINC000058172335 570715370 /nfs/dbraw/zinc/71/53/70/570715370.db2.gz XXGIUGOSSUKUBB-UHFFFAOYSA-N 0 0 391.786 5.135 50 0 GKAARN O=C(CCCc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000006945730 570716265 /nfs/dbraw/zinc/71/62/65/570716265.db2.gz ZHOJZWJTWMYACW-VWLOTQADSA-N 0 0 382.507 5.591 50 0 GKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1cccc(Cl)c1 ZINC000012797287 570716679 /nfs/dbraw/zinc/71/66/79/570716679.db2.gz MJXOLLLKTWLCCC-GFCCVEGCSA-N 0 0 399.903 5.091 50 0 GKAARN Cc1ccc(-c2ncc(C(=O)Nc3cccc(C)c3)c(-c3ccncc3)n2)cc1 ZINC000065153817 570716749 /nfs/dbraw/zinc/71/67/49/570716749.db2.gz BBZNFSMXQHCSQN-UHFFFAOYSA-N 0 0 380.451 5.075 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(C)c1 ZINC000012798935 570717167 /nfs/dbraw/zinc/71/71/67/570717167.db2.gz OOWYHFPEMFFREZ-UHFFFAOYSA-N 0 0 386.904 5.174 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2cc(C)ccc2C)c1 ZINC000065172794 570720772 /nfs/dbraw/zinc/72/07/72/570720772.db2.gz KPGZCQNFFTWALC-UHFFFAOYSA-N 0 0 384.483 5.377 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2cccc(C(C)C)c2)c1 ZINC000065172811 570721327 /nfs/dbraw/zinc/72/13/27/570721327.db2.gz IERBSDRYDCFELN-UHFFFAOYSA-N 0 0 398.510 5.884 50 0 GKAARN Cc1cc(NC(=O)c2ccc(C(C)C)cc2)c(C)cc1I ZINC000002858673 570721401 /nfs/dbraw/zinc/72/14/01/570721401.db2.gz VOQBFRSGTCVAKZ-UHFFFAOYSA-N 0 0 393.268 5.284 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000002825278 570721428 /nfs/dbraw/zinc/72/14/28/570721428.db2.gz 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CCn1cc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)c2cccnc21 ZINC000065241083 570744934 /nfs/dbraw/zinc/74/49/34/570744934.db2.gz IOSYIDPPBUXACC-UHFFFAOYSA-N 0 0 382.876 5.085 50 0 GKAARN CCn1cc(-c2nc(C)c(C(=O)Nc3cc(F)cc(F)c3)s2)c2cccnc21 ZINC000065240897 570745022 /nfs/dbraw/zinc/74/50/22/570745022.db2.gz PAAPGWCEBUMNOT-UHFFFAOYSA-N 0 0 398.438 5.019 50 0 GKAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(C)c3)ccc2n1-c1ccccc1 ZINC000013068947 570745034 /nfs/dbraw/zinc/74/50/34/570745034.db2.gz APJGASPFUVUHPG-QGZVFWFLSA-N 0 0 384.483 5.081 50 0 GKAARN O=C(Nc1cccc2ncccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000991663 570745011 /nfs/dbraw/zinc/74/50/11/570745011.db2.gz YEMNIPQWXPJICC-UHFFFAOYSA-N 0 0 392.418 5.204 50 0 GKAARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3nc(C)nc2Cl)cc1 ZINC000001017325 570745860 /nfs/dbraw/zinc/74/58/60/570745860.db2.gz VRCMYWPKRMHBJY-UHFFFAOYSA-N 0 0 397.887 5.388 50 0 GKAARN Cc1nc2sc3c(c2c(SCC(=O)c2ccc(Cl)s2)n1)CCCC3 ZINC000001016461 570745895 /nfs/dbraw/zinc/74/58/95/570745895.db2.gz 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ZINC000033062443 570748492 /nfs/dbraw/zinc/74/84/92/570748492.db2.gz YPJVSKJMDLEPGH-OAQYLSRUSA-N 0 0 383.495 5.684 50 0 GKAARN CCc1ccccc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000033062441 570748659 /nfs/dbraw/zinc/74/86/59/570748659.db2.gz YPJVSKJMDLEPGH-NRFANRHFSA-N 0 0 383.495 5.684 50 0 GKAARN Cc1cccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c1 ZINC000033062275 570748701 /nfs/dbraw/zinc/74/87/01/570748701.db2.gz AZHGBPCVFMSVRE-OAQYLSRUSA-N 0 0 387.458 5.569 50 0 GKAARN Cc1oc(-c2ccccc2)nc1COC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000014730896 570749190 /nfs/dbraw/zinc/74/91/90/570749190.db2.gz GICFXRXETUJSGX-UHFFFAOYSA-N 0 0 379.431 5.344 50 0 GKAARN Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000013151811 570749263 /nfs/dbraw/zinc/74/92/63/570749263.db2.gz POAOKVLBUMZPNR-RDGATRHJSA-N 0 0 382.463 5.056 50 0 aggregator GKAARN S=c1oc(-c2ccccc2Br)nn1CNc1ccccc1Cl ZINC000001064266 570749700 /nfs/dbraw/zinc/74/97/00/570749700.db2.gz RLCVZDNHNBLGOW-UHFFFAOYSA-N 0 0 396.697 5.358 50 0 GKAARN COc1ccc2c(c1)nc(SCc1c(C)noc1C)cc2-c1ccccc1 ZINC000013161901 570749849 /nfs/dbraw/zinc/74/98/49/570749849.db2.gz NUJAKSQQOGNLQH-UHFFFAOYSA-N 0 0 376.481 5.808 50 0 GKAARN CCOc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000004414620 570749933 /nfs/dbraw/zinc/74/99/33/570749933.db2.gz KQRPTBKNRKHPAA-OAQYLSRUSA-N 0 0 381.472 5.697 50 0 GKAARN Cc1c(-c2ccc(O)cc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 ZINC000001066516 570749932 /nfs/dbraw/zinc/74/99/32/570749932.db2.gz JUYLPXZPJFGRIV-UHFFFAOYSA-N 0 0 378.435 5.139 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000001080223 570750536 /nfs/dbraw/zinc/75/05/36/570750536.db2.gz LFVVJZASGHBAHO-UHFFFAOYSA-N 0 0 375.325 5.235 50 0 GKAARN CCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000001076772 570750778 /nfs/dbraw/zinc/75/07/78/570750778.db2.gz QXXRZWISEZPUOD-OAHLLOKOSA-N 0 0 380.875 5.009 50 0 GKAARN COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cc1 ZINC000036615422 570751025 /nfs/dbraw/zinc/75/10/25/570751025.db2.gz QUDRUYDJJJVXKP-UHFFFAOYSA-N 0 0 391.421 5.911 50 0 GKAARN CC(C)Sc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000013228274 570751198 /nfs/dbraw/zinc/75/11/98/570751198.db2.gz WEPOZTBLNOUVHK-UHFFFAOYSA-N 0 0 391.565 6.286 50 0 GKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(C(C)C)cc1 ZINC000036616107 570752075 /nfs/dbraw/zinc/75/20/75/570752075.db2.gz SKJHWYQMFIIIRC-UHFFFAOYSA-N 0 0 384.483 5.494 50 0 GKAARN Cc1ccc(C)c(-c2[nH]c(-c3c(F)cccc3Cl)nc2-c2ccccc2)c1 ZINC000013284563 570752626 /nfs/dbraw/zinc/75/26/26/570752626.db2.gz WNFATDXVVULQFJ-UHFFFAOYSA-N 0 0 376.862 6.820 50 0 GKAARN COc1ccc2c(C)cc(SCC(=O)c3c(C)[nH]c4ccccc43)nc2c1 ZINC000001099221 570753006 /nfs/dbraw/zinc/75/30/06/570753006.db2.gz MFDOHQOEKGCYDX-UHFFFAOYSA-N 0 0 376.481 5.317 50 0 GKAARN Nc1nc(SCc2ccc(Cl)c(Cl)c2)nc2sc3c(c21)CCCC3 ZINC000004419915 570753066 /nfs/dbraw/zinc/75/30/66/570753066.db2.gz NHNVYRDDJTWWRV-UHFFFAOYSA-N 0 0 396.368 5.751 50 0 GKAARN CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000013303682 570753214 /nfs/dbraw/zinc/75/32/14/570753214.db2.gz RKQCSUHXBSQICK-BAFDNMDASA-N 0 0 399.321 6.136 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3cccc(Cl)c3)c12 ZINC000036616717 570753358 /nfs/dbraw/zinc/75/33/58/570753358.db2.gz JEICQINGSKWBPQ-UHFFFAOYSA-N 0 0 390.874 5.002 50 0 GKAARN Fc1cccc(-c2nnc([C@@H](Nc3ccccc3)c3ccc(F)cc3Cl)o2)c1 ZINC000013364548 570753931 /nfs/dbraw/zinc/75/39/31/570753931.db2.gz BNQNXSWQBUJMND-IBGZPJMESA-N 0 0 397.812 5.870 50 0 GKAARN CCCCn1c2nc(-c3ccc(C)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000036617302 570754562 /nfs/dbraw/zinc/75/45/62/570754562.db2.gz UBTXCAZVIFYWOL-UHFFFAOYSA-N 0 0 375.444 5.167 50 0 GKAARN COc1ccc([C@@H]2CCCCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)C2)cc1 ZINC000206883551 570754673 /nfs/dbraw/zinc/75/46/73/570754673.db2.gz VULLLQJTHFBEHE-LJQANCHMSA-N 0 0 392.474 5.239 50 0 GKAARN Cc1cccn2cc(-c3ccccc3NC(=O)c3c(F)cccc3Cl)nc12 ZINC000206900553 570754924 /nfs/dbraw/zinc/75/49/24/570754924.db2.gz NGOIJMJCUKKQGQ-UHFFFAOYSA-N 0 0 379.822 5.355 50 0 GKAARN COc1cccc2cc(C(=O)Nc3ccccc3-c3cn4ccccc4n3)oc21 ZINC000206898341 570755031 /nfs/dbraw/zinc/75/50/31/570755031.db2.gz RZHUDUQTEOYZEI-UHFFFAOYSA-N 0 0 383.407 5.008 50 0 GKAARN Cc1ccc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1C ZINC000001105097 570755054 /nfs/dbraw/zinc/75/50/54/570755054.db2.gz NLBVNMOQGAXPAT-UHFFFAOYSA-N 0 0 379.510 5.050 50 0 GKAARN COc1cccc2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)oc21 ZINC000206893497 570755132 /nfs/dbraw/zinc/75/51/32/570755132.db2.gz VIWFRHXMEBPFSI-UHFFFAOYSA-N 0 0 389.436 5.070 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1 ZINC000036617434 570755663 /nfs/dbraw/zinc/75/56/63/570755663.db2.gz YMZMMVBQJQLAIX-CYBMUJFWSA-N 0 0 375.428 5.557 50 0 GKAARN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl ZINC000032717110 570755724 /nfs/dbraw/zinc/75/57/24/570755724.db2.gz VBLQAZGTTAVCNL-UHFFFAOYSA-N 0 0 377.101 5.163 50 0 GKAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000013510781 570756204 /nfs/dbraw/zinc/75/62/04/570756204.db2.gz CEVIKXAWIKDHGV-LJQANCHMSA-N 0 0 399.469 5.053 50 0 GKAARN CCC(=O)Oc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 ZINC000001141868 570756241 /nfs/dbraw/zinc/75/62/41/570756241.db2.gz BGVBWRPKRFOGKO-UHFFFAOYSA-N 0 0 399.450 5.106 50 0 GKAARN Cc1cc([C@@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000064790094 570756513 /nfs/dbraw/zinc/75/65/13/570756513.db2.gz CZJDVGOGRPPVHD-SFHVURJKSA-N 0 0 395.509 5.560 50 0 GKAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccccc1C ZINC000013520288 570756603 /nfs/dbraw/zinc/75/66/03/570756603.db2.gz RWWMPSDCETWHCD-UHFFFAOYSA-N 0 0 376.481 5.026 50 0 GKAARN O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(-c2cccs2)cc1 ZINC000206945950 570756658 /nfs/dbraw/zinc/75/66/58/570756658.db2.gz YSCICQPVKBQLLX-UHFFFAOYSA-N 0 0 376.506 5.469 50 0 GKAARN CC(C)c1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1 ZINC000064894000 570757053 /nfs/dbraw/zinc/75/70/53/570757053.db2.gz HDWITHYSESKONR-UHFFFAOYSA-N 0 0 386.451 5.019 50 0 GKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc2c(Br)cccc12 ZINC000001145513 570757280 /nfs/dbraw/zinc/75/72/80/570757280.db2.gz ADORQCUBQLPQQN-UHFFFAOYSA-N 0 0 395.300 5.455 50 0 GKAARN CC(C)c1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000064984198 570757336 /nfs/dbraw/zinc/75/73/36/570757336.db2.gz QHMUPUQKPOXUCM-OAQYLSRUSA-N 0 0 375.509 5.255 50 0 GKAARN CC(C)c1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccc(F)c2)cc1 ZINC000064984200 570757347 /nfs/dbraw/zinc/75/73/47/570757347.db2.gz QHMUPUQKPOXUCM-NRFANRHFSA-N 0 0 375.509 5.255 50 0 GKAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000064984157 570757363 /nfs/dbraw/zinc/75/73/63/570757363.db2.gz DEUFETTVJVFBQE-HSZRJFAPSA-N 0 0 383.557 5.180 50 0 GKAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(Oc4cccc(C)c4)cc3)no2)cc1 ZINC000065005203 570757663 /nfs/dbraw/zinc/75/76/63/570757663.db2.gz SLNIGOAZVMNDKC-UHFFFAOYSA-N 0 0 385.423 5.463 50 0 GKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccccc4F)n3)cc2)cc1 ZINC000065005371 570757773 /nfs/dbraw/zinc/75/77/73/570757773.db2.gz DGTFZWMMAMWCHI-UHFFFAOYSA-N 0 0 389.386 5.293 50 0 GKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C)c(C)c1)C(C)(C)N2 ZINC000013550430 570757810 /nfs/dbraw/zinc/75/78/10/570757810.db2.gz ZJALXMZWEWTLLT-LNVKXUELSA-N 0 0 396.581 6.385 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1ccccc1 ZINC000021914789 570758537 /nfs/dbraw/zinc/75/85/37/570758537.db2.gz URXDZAIYYHLXCW-UHFFFAOYSA-N 0 0 390.874 5.227 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1cccc(C)c1 ZINC000021914326 570758550 /nfs/dbraw/zinc/75/85/50/570758550.db2.gz CICZJONZFUNDHU-UHFFFAOYSA-N 0 0 390.874 5.227 50 0 GKAARN CCc1ccc(-c2nc(CSCC(=O)Nc3ccccc3F)cs2)cc1 ZINC000032719082 570758743 /nfs/dbraw/zinc/75/87/43/570758743.db2.gz GGYRQSSFKPBOMG-UHFFFAOYSA-N 0 0 386.517 5.384 50 0 GKAARN Cc1ccc(N[P@@](=O)(CC(F)(F)F)Oc2ccc(Cl)cc2)cc1C ZINC000096558457 570759226 /nfs/dbraw/zinc/75/92/26/570759226.db2.gz NEAQDGBPODSSRI-XMMPIXPASA-N 0 0 377.730 6.203 50 0 GKAARN 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/nfs/dbraw/zinc/76/40/65/570764065.db2.gz WYQGUZAJYCUZKS-IBGZPJMESA-N 0 0 380.538 5.131 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1ccc(CN(C)[C@@H](C)c2nccs2)cc1 ZINC000065393955 570765007 /nfs/dbraw/zinc/76/50/07/570765007.db2.gz IGBDWWHDAUBLLA-KRWDZBQOSA-N 0 0 379.529 5.205 50 0 GKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCCc4ccccc43)c12 ZINC000013642087 570766102 /nfs/dbraw/zinc/76/61/02/570766102.db2.gz NTCFVILSZVYAKQ-QGZVFWFLSA-N 0 0 389.480 5.067 50 0 GKAARN C[C@H](c1ccccc1)n1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000013647925 570766378 /nfs/dbraw/zinc/76/63/78/570766378.db2.gz SESWUMYRFOZYBU-OAHLLOKOSA-N 0 0 397.305 6.531 50 0 GKAARN Cc1c2oc(=O)c3c(c2cc2c1OC1(C=C2)CCC(C(C)(C)C)CC1)CCCC3 ZINC000013653549 570767242 /nfs/dbraw/zinc/76/72/42/570767242.db2.gz YNFUXHDPLVUDPO-UHFFFAOYSA-N 0 0 392.539 6.361 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206991962 570767197 /nfs/dbraw/zinc/76/71/97/570767197.db2.gz HGELHEHHCRBHCO-FQEVSTJZSA-N 0 0 384.932 5.071 50 0 GKAARN 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COc1ccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c(OC)c1 ZINC000033123799 570815659 /nfs/dbraw/zinc/81/56/59/570815659.db2.gz WHVTYTAUIDHUFJ-UHFFFAOYSA-N 0 0 387.439 5.496 50 0 GKAARN COc1ccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1OC ZINC000033123756 570815666 /nfs/dbraw/zinc/81/56/66/570815666.db2.gz JLYSKJQCTVYIAQ-UHFFFAOYSA-N 0 0 387.439 5.496 50 0 GKAARN O=C(NCc1ccc(F)cc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033123891 570815714 /nfs/dbraw/zinc/81/57/14/570815714.db2.gz CRSQXAFQBGNIDX-UHFFFAOYSA-N 0 0 393.849 5.949 50 0 GKAARN COc1cccc(CNC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1 ZINC000033123983 570815896 /nfs/dbraw/zinc/81/58/96/570815896.db2.gz ZKLMFLQVVJAGJL-UHFFFAOYSA-N 0 0 389.430 5.304 50 0 GKAARN CSc1cccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1 ZINC000033123992 570815937 /nfs/dbraw/zinc/81/59/37/570815937.db2.gz GVARKXWDBRDJLW-UHFFFAOYSA-N 0 0 391.471 6.340 50 0 GKAARN O=C(Nc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033124154 570815969 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CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 ZINC000001895333 570824131 /nfs/dbraw/zinc/82/41/31/570824131.db2.gz GOORXGCVGMBSIH-OAHLLOKOSA-N 0 0 398.597 6.088 50 0 GKAARN CC(C)c1cc(Nc2ccc(I)cc2)cc(C(C)C)c1O ZINC000001896462 570824266 /nfs/dbraw/zinc/82/42/66/570824266.db2.gz IFXMJZXJLIQFCE-UHFFFAOYSA-N 0 0 395.284 5.987 50 0 GKAARN CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001911115 570824588 /nfs/dbraw/zinc/82/45/88/570824588.db2.gz CENXZLXBLSLZSE-UHFFFAOYSA-N 0 0 388.389 5.736 50 0 GKAARN Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3cccc(Br)c3)nc12 ZINC000004678599 570824879 /nfs/dbraw/zinc/82/48/79/570824879.db2.gz FWGFONNEMUIHPL-UHFFFAOYSA-N 0 0 386.680 5.423 50 0 GKAARN CC(C)(C)C(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000012515492 570825142 /nfs/dbraw/zinc/82/51/42/570825142.db2.gz KCGMQTMVLGXEAQ-UHFFFAOYSA-N 0 0 379.378 5.221 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)c1 ZINC000014140830 570825169 /nfs/dbraw/zinc/82/51/69/570825169.db2.gz DITPHNZXSMVQOS-UHFFFAOYSA-N 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O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cnc2ccccc2c1 ZINC000012522441 570829107 /nfs/dbraw/zinc/82/91/07/570829107.db2.gz LCXBYMXLCHHNJH-UHFFFAOYSA-N 0 0 379.872 5.193 50 0 GKAARN CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000014199835 570829534 /nfs/dbraw/zinc/82/95/34/570829534.db2.gz CQAQKVRQPKUGPF-VIFPVBQESA-N 0 0 396.343 5.182 50 0 GKAARN c1cc(-c2nc(CN3CCC(c4nc5ccccc5o4)CC3)cs2)cs1 ZINC000014202262 570829854 /nfs/dbraw/zinc/82/98/54/570829854.db2.gz MUDGYXFKOMMYTO-UHFFFAOYSA-N 0 0 381.526 5.392 50 0 GKAARN Cc1nc(CSc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)cs1 ZINC000014202340 570830067 /nfs/dbraw/zinc/83/00/67/570830067.db2.gz LJFOSQUQQFGOAE-FQEVSTJZSA-N 0 0 380.538 5.161 50 0 GKAARN CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000032817632 570830689 /nfs/dbraw/zinc/83/06/89/570830689.db2.gz HDPDPECLUHOQGI-UHFFFAOYSA-N 0 0 398.915 5.299 50 0 GKAARN COc1ccc2[nH]c(C)c(CCNc3ncnc4sc5c(c43)CCCC5)c2c1 ZINC000004686431 570830728 /nfs/dbraw/zinc/83/07/28/570830728.db2.gz WDQSJKMNKJVWHD-UHFFFAOYSA-N 0 0 392.528 5.023 50 0 GKAARN CCOc1ccc([C@@H]2Cc3[nH]c(C(=O)OC4CCCCC4)c(C)c3C(=O)C2)cc1 ZINC000004686744 570831107 /nfs/dbraw/zinc/83/11/07/570831107.db2.gz SNTMBMNVHOYOQS-QGZVFWFLSA-N 0 0 395.499 5.124 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000007343595 570831685 /nfs/dbraw/zinc/83/16/85/570831685.db2.gz VWIZKHYAWPXRIE-FQEVSTJZSA-N 0 0 389.543 5.754 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000007343594 570831882 /nfs/dbraw/zinc/83/18/82/570831882.db2.gz VWIZKHYAWPXRIE-HXUWFJFHSA-N 0 0 389.543 5.754 50 0 GKAARN COc1ccccc1N(C(C)=O)c1nc(COc2ccccc2Cl)cs1 ZINC000014226275 570832205 /nfs/dbraw/zinc/83/22/05/570832205.db2.gz KAQAVCFFXZXFMZ-UHFFFAOYSA-N 0 0 388.876 5.069 50 0 GKAARN CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1C2CC3CC(C2)CC1C3 ZINC000032809908 570832307 /nfs/dbraw/zinc/83/23/07/570832307.db2.gz JQVNDHXQAPEQRY-UHFFFAOYSA-N 0 0 386.948 5.360 50 0 GKAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc(Oc2ccccc2)cc1 ZINC000007349153 570832912 /nfs/dbraw/zinc/83/29/12/570832912.db2.gz XRIGKQLEZGHORB-UHFFFAOYSA-N 0 0 382.391 5.619 50 0 GKAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc2c(s1)CCCCCC2 ZINC000012528386 570833059 /nfs/dbraw/zinc/83/30/59/570833059.db2.gz QHPJABVDRRMZHY-UHFFFAOYSA-N 0 0 383.542 5.508 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2cnc3ccccc3n2)N1c1ccc(Cl)cc1 ZINC000007360176 570833369 /nfs/dbraw/zinc/83/33/69/570833369.db2.gz XHYAMBQXFFABMX-OAQYLSRUSA-N 0 0 386.842 5.054 50 0 GKAARN COC(=O)[C@@H]1[C@H](c2ccccc2)[C@]2(c3ccccc3)C(C)(C)[C@]12c1ccccc1 ZINC000005706012 570833505 /nfs/dbraw/zinc/83/35/05/570833505.db2.gz OVHFWOWBGHOTOH-IDJLGEMNSA-N 0 0 382.503 5.489 50 0 GKAARN CSc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000004517593 570834042 /nfs/dbraw/zinc/83/40/42/570834042.db2.gz AFJUYQQHDCQNGT-UHFFFAOYSA-N 0 0 392.505 5.643 50 0 GKAARN O=C(c1cc2ccc(F)cc2s1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014231435 570834213 /nfs/dbraw/zinc/83/42/13/570834213.db2.gz IQGARAZHXUKRMR-AWEZNQCLSA-N 0 0 396.512 5.670 50 0 GKAARN CCOc1ccccc1Oc1c(C)oc2cc(OCC=C(C)C)ccc2c1=O ZINC000002098575 570834310 /nfs/dbraw/zinc/83/43/10/570834310.db2.gz FWYROMLYKPDXCY-UHFFFAOYSA-N 0 0 380.440 5.637 50 0 biogenic GKAARN CCCCC[C@@H](C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002086469 570834420 /nfs/dbraw/zinc/83/44/20/570834420.db2.gz WRMMIIGFLREZIX-MRXNPFEDSA-N 0 0 390.483 5.329 50 0 GKAARN CC(C)n1c2ccccc2c2nnc(SCc3c(F)cccc3Cl)nc21 ZINC000004690175 570835263 /nfs/dbraw/zinc/83/52/63/570835263.db2.gz ATFGECDZHAVUDM-UHFFFAOYSA-N 0 0 386.883 5.645 50 0 GKAARN CC(C)CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000007383951 570835605 /nfs/dbraw/zinc/83/56/05/570835605.db2.gz QMUDEVGGUQWDKV-HNNXBMFYSA-N 0 0 389.565 5.067 50 0 GKAARN COc1ccc(NC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)cc1Cl ZINC000033171360 570835740 /nfs/dbraw/zinc/83/57/40/570835740.db2.gz PLEAHYJZGZBMKR-UHFFFAOYSA-N 0 0 384.888 5.602 50 0 GKAARN CC(=O)N[C@H](CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1 ZINC000014242354 570836562 /nfs/dbraw/zinc/83/65/62/570836562.db2.gz HKVSOCABOAKMIC-JOCHJYFZSA-N 0 0 398.462 5.306 50 0 GKAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)c2nc(C(C)C)no2)s1 ZINC000012536852 570836662 /nfs/dbraw/zinc/83/66/62/570836662.db2.gz FMBPKMJOJLVEHO-NSHDSACASA-N 0 0 391.522 5.040 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003208975 570837452 /nfs/dbraw/zinc/83/74/52/570837452.db2.gz KGZLNRRDNHLWAG-UHFFFAOYSA-N 0 0 379.872 5.507 50 0 GKAARN O=C(NCc1ccc(F)cc1)Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000033169344 570838209 /nfs/dbraw/zinc/83/82/09/570838209.db2.gz UMXSFDQTNZHFCO-UHFFFAOYSA-N 0 0 387.414 5.469 50 0 GKAARN Cc1ccc(CNC(=O)Nc2ccc(-c3nc(-c4ccccc4)co3)cc2)cc1 ZINC000033169338 570838229 /nfs/dbraw/zinc/83/82/29/570838229.db2.gz AQVCLMJTPDRCAA-UHFFFAOYSA-N 0 0 383.451 5.639 50 0 GKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)c1 ZINC000033169389 570838301 /nfs/dbraw/zinc/83/83/01/570838301.db2.gz HKRILFWNLKJOIQ-UHFFFAOYSA-N 0 0 383.451 6.269 50 0 GKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000003225682 570839389 /nfs/dbraw/zinc/83/93/89/570839389.db2.gz RJBMCDPBDDXDSX-HUUCEWRRSA-N 0 0 394.902 5.113 50 0 GKAARN Cc1cc2c(cc1C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1cccs1)=N2 ZINC000101947550 570839508 /nfs/dbraw/zinc/83/95/08/570839508.db2.gz TYIIIQOEZKWQOM-UHFFFAOYSA-N 0 0 394.927 6.076 50 0 GKAARN Cc1c(C(=O)O[C@H](C)c2nnc(-c3cccs3)o2)sc2cccc(F)c12 ZINC000037115814 570839576 /nfs/dbraw/zinc/83/95/76/570839576.db2.gz CUPJHVALAVZNBC-SNVBAGLBSA-N 0 0 388.445 5.378 50 0 GKAARN Cc1c(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)sc2cccc(F)c12 ZINC000037115813 570839581 /nfs/dbraw/zinc/83/95/81/570839581.db2.gz CUPJHVALAVZNBC-JTQLQIEISA-N 0 0 388.445 5.378 50 0 GKAARN Cc1cc2c(cc1C)N(Cc1ccccc1Cl)C(=O)CC(c1cccs1)=N2 ZINC000101947560 570839593 /nfs/dbraw/zinc/83/95/93/570839593.db2.gz RODZYLXOQAPIDG-UHFFFAOYSA-N 0 0 394.927 6.076 50 0 GKAARN Cc1cccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c1C ZINC000003241890 570840190 /nfs/dbraw/zinc/84/01/90/570840190.db2.gz FQWRRJKHUQGTCZ-UHFFFAOYSA-N 0 0 387.479 5.007 50 0 GKAARN Clc1ccc([C@H]2C[C@@H](c3c(Cl)cccc3Cl)n3ncnc3N2)cc1 ZINC000004691435 570840495 /nfs/dbraw/zinc/84/04/95/570840495.db2.gz BPLPKAQRJGFVIQ-CABCVRRESA-N 0 0 379.678 5.385 50 0 GKAARN CCCCCC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C)cc3)nn21 ZINC000102112518 570841117 /nfs/dbraw/zinc/84/11/17/570841117.db2.gz BHEAIKJYCJHNDW-DEOSSOPVSA-N 0 0 388.515 5.349 50 0 GKAARN CCCCCC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3cccs3)nn21 ZINC000102112775 570841121 /nfs/dbraw/zinc/84/11/21/570841121.db2.gz LGZJIDIRLFSVGA-OAQYLSRUSA-N 0 0 380.517 5.102 50 0 GKAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1cc2ccccc2c(=O)[nH]1 ZINC000032820334 570841582 /nfs/dbraw/zinc/84/15/82/570841582.db2.gz JZWXFXUHLRAKFZ-UHFFFAOYSA-N 0 0 390.826 5.226 50 0 GKAARN CCc1cc2c(ncnc2SCC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000003254055 570843257 /nfs/dbraw/zinc/84/32/57/570843257.db2.gz JVCHBQMODGDANP-UHFFFAOYSA-N 0 0 397.447 5.003 50 0 GKAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2ccc(Cl)s2)c1C ZINC000003252438 570843281 /nfs/dbraw/zinc/84/32/81/570843281.db2.gz LPZSPJASEAIFSF-UHFFFAOYSA-N 0 0 399.899 5.802 50 0 GKAARN CCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000004524841 570843420 /nfs/dbraw/zinc/84/34/20/570843420.db2.gz IIZQVAFTWHVWIS-UHFFFAOYSA-N 0 0 379.887 6.727 50 0 GKAARN Clc1ccc([C@H]2C[C@@H](c3cccc4ccccc43)n3ncnc3N2)c(Cl)c1 ZINC000004699678 570843692 /nfs/dbraw/zinc/84/36/92/570843692.db2.gz DIXTTWBGSGKBDT-UXHICEINSA-N 0 0 395.293 5.884 50 0 GKAARN Clc1ccc([C@@H]2C[C@@H](c3cccc4ccccc43)n3ncnc3N2)c(Cl)c1 ZINC000004699680 570843694 /nfs/dbraw/zinc/84/36/94/570843694.db2.gz DIXTTWBGSGKBDT-PMACEKPBSA-N 0 0 395.293 5.884 50 0 GKAARN C[C@@H](CCc1ccccc1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000102243272 570843791 /nfs/dbraw/zinc/84/37/91/570843791.db2.gz DRCBBPRHYIUCMT-INIZCTEOSA-N 0 0 389.524 5.393 50 0 GKAARN C[C@H](Sc1ccc(Cl)cc1)[C@H](Nc1ccccn1)n1nnc2ccccc21 ZINC000004525140 570843863 /nfs/dbraw/zinc/84/38/63/570843863.db2.gz NVLUTUJGFBVEMF-VBKZILBWSA-N 0 0 395.919 5.271 50 0 GKAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000004700111 570844207 /nfs/dbraw/zinc/84/42/07/570844207.db2.gz OUENYZZRUWFVHI-UHFFFAOYSA-N 0 0 378.859 5.424 50 0 GKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)c12 ZINC000037164816 570844313 /nfs/dbraw/zinc/84/43/13/570844313.db2.gz WHQZTEANMWTQRD-LJQANCHMSA-N 0 0 387.439 5.077 50 0 GKAARN CCN(CC(=O)Nc1cc2oc3ccccc3c2cc1OC)Cc1ccccc1 ZINC000007445268 570844437 /nfs/dbraw/zinc/84/44/37/570844437.db2.gz SUBJVDPRQQTGLJ-UHFFFAOYSA-N 0 0 388.467 5.055 50 0 GKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccccn2)nn1 ZINC000007446744 570844539 /nfs/dbraw/zinc/84/45/39/570844539.db2.gz MJPUHUITRHBIIG-UHFFFAOYSA-N 0 0 394.500 5.402 50 0 GKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000012544324 570844981 /nfs/dbraw/zinc/84/49/81/570844981.db2.gz REBKXQIJQUISGP-LBPRGKRZSA-N 0 0 396.903 5.139 50 0 GKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1cccnc1Oc1ccccc1 ZINC000032832665 570844978 /nfs/dbraw/zinc/84/49/78/570844978.db2.gz CXJKUZWYGAQDEX-UHFFFAOYSA-N 0 0 393.493 5.620 50 0 GKAARN CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000007451172 570845047 /nfs/dbraw/zinc/84/50/47/570845047.db2.gz DUKLHBKHLGBDOF-UHFFFAOYSA-N 0 0 378.516 5.172 50 0 GKAARN CN(C)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 ZINC000032832460 570845049 /nfs/dbraw/zinc/84/50/49/570845049.db2.gz YYVSQZCKRNYYAX-UHFFFAOYSA-N 0 0 398.428 5.620 50 0 GKAARN O=C(Nc1cccnc1Oc1ccccc1)c1ccc(Br)cc1F ZINC000032832674 570845122 /nfs/dbraw/zinc/84/51/22/570845122.db2.gz MLNVYIXBBGDOMQ-UHFFFAOYSA-N 0 0 387.208 5.028 50 0 GKAARN CNc1nc(NCc2cc(Cl)cc3c(C)c(-c4ccccc4)[nH]c32)ncc1F ZINC000071745919 570845199 /nfs/dbraw/zinc/84/51/99/570845199.db2.gz HXMFNXVHPWLJKW-UHFFFAOYSA-N 0 0 395.869 5.380 50 0 GKAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000012544604 570845514 /nfs/dbraw/zinc/84/55/14/570845514.db2.gz FABCQTOHRJMCST-UHFFFAOYSA-N 0 0 393.830 5.051 50 0 GKAARN CC(C)c1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3F)C2)cc1 ZINC000102402004 570846459 /nfs/dbraw/zinc/84/64/59/570846459.db2.gz JVXDWYGSKRMHFS-DEOSSOPVSA-N 0 0 383.470 6.355 50 0 GKAARN O=C(Nc1nc2c(cc(F)c(F)c2F)s1)c1ccc(-c2ccccc2)cc1 ZINC000003271902 570846963 /nfs/dbraw/zinc/84/69/63/570846963.db2.gz CMTCIQVYVNXDRQ-UHFFFAOYSA-N 0 0 384.382 5.633 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)CNc1ccccc1NC(=O)c1cccs1 ZINC000102396149 570847259 /nfs/dbraw/zinc/84/72/59/570847259.db2.gz WHNLPEVXVQATST-UHFFFAOYSA-N 0 0 399.903 5.013 50 0 GKAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1C ZINC000037207258 570847409 /nfs/dbraw/zinc/84/74/09/570847409.db2.gz SNWWZGCGAVDDNC-OAQYLSRUSA-N 0 0 382.554 5.013 50 0 GKAARN COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102420126 570847744 /nfs/dbraw/zinc/84/77/44/570847744.db2.gz BGRHXUCOBFYMQW-NRFANRHFSA-N 0 0 376.456 5.345 50 0 GKAARN O=C(OCc1csc(-c2ccccc2)n1)C1(c2cccc(F)c2)CCCC1 ZINC000003275799 570847797 /nfs/dbraw/zinc/84/77/97/570847797.db2.gz FOBSAJBEOMAIEB-UHFFFAOYSA-N 0 0 381.472 5.504 50 0 GKAARN O=C1CC(c2ccccc2)=Nc2ccccc2N1Cc1ccc(F)cc1Cl ZINC000102425895 570848033 /nfs/dbraw/zinc/84/80/33/570848033.db2.gz CTXJMXGAPNCPEJ-UHFFFAOYSA-N 0 0 378.834 5.537 50 0 GKAARN CC(C)(C)[C@H]1CCc2nc3sc4c(c3c(-c3ccccc3)c2C1)CCCC4 ZINC000012546748 570848377 /nfs/dbraw/zinc/84/83/77/570848377.db2.gz FVKZTXMYSWCFLS-KRWDZBQOSA-N 0 0 375.581 6.993 50 0 GKAARN COc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)c2ccc(Cl)cc2)cc1 ZINC000003278260 570848414 /nfs/dbraw/zinc/84/84/14/570848414.db2.gz ZHCCYSPSRRWUAB-JOCHJYFZSA-N 0 0 378.859 5.294 50 0 GKAARN Cc1ccc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000037210488 570848465 /nfs/dbraw/zinc/84/84/65/570848465.db2.gz LIOHFIRMTGTONO-OAQYLSRUSA-N 0 0 382.554 5.013 50 0 GKAARN Cc1nc(SCc2nc(-c3ccc(C)c(F)c3)no2)[nH]c1Cc1ccccc1 ZINC000012547159 570848483 /nfs/dbraw/zinc/84/84/83/570848483.db2.gz CEZTVGJNBLMKEU-UHFFFAOYSA-N 0 0 394.475 5.099 50 0 GKAARN Fc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102405507 570848834 /nfs/dbraw/zinc/84/88/34/570848834.db2.gz JHGJAMUKGVOARE-OAHLLOKOSA-N 0 0 394.759 5.145 50 0 GKAARN O=C(CCc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000012547694 570849329 /nfs/dbraw/zinc/84/93/29/570849329.db2.gz AMPWNAOSTADCDW-UHFFFAOYSA-N 0 0 375.859 5.455 50 0 GKAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)c1ccccc1 ZINC000003280725 570849809 /nfs/dbraw/zinc/84/98/09/570849809.db2.gz WUUOHNZTHBVPPN-UHFFFAOYSA-N 0 0 389.476 5.106 50 0 GKAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003285316 570851246 /nfs/dbraw/zinc/85/12/46/570851246.db2.gz VMAFACUCZBGLHO-UHFFFAOYSA-N 0 0 388.876 5.284 50 0 GKAARN Cc1ccc(-c2nnc([C@H](C)Nc3ccc(OC4CCCC4)c(Cl)c3)o2)cc1 ZINC000170592911 570851263 /nfs/dbraw/zinc/85/12/63/570851263.db2.gz QHHPUDMFUUEEGE-HNNXBMFYSA-N 0 0 397.906 6.193 50 0 GKAARN Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(OC4CCCC4)c(Cl)c3)o2)cc1 ZINC000170592909 570851413 /nfs/dbraw/zinc/85/14/13/570851413.db2.gz QHHPUDMFUUEEGE-OAHLLOKOSA-N 0 0 397.906 6.193 50 0 GKAARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc32)cc1 ZINC000003289897 570852326 /nfs/dbraw/zinc/85/23/26/570852326.db2.gz KPEUGGYONOAACW-UHFFFAOYSA-N 0 0 381.435 5.122 50 0 GKAARN C[C@H](Cc1cccnc1)OC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000170594814 570852806 /nfs/dbraw/zinc/85/28/06/570852806.db2.gz GLAFRNPXZCLPDI-OMWUSAIZSA-N 0 0 394.298 5.031 50 0 GKAARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000102581747 570852829 /nfs/dbraw/zinc/85/28/29/570852829.db2.gz INNRNWJFCCSJNZ-JLTOFOAXSA-N 0 0 394.837 5.136 50 0 GKAARN COc1cc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)ccc1C ZINC000032847913 570853115 /nfs/dbraw/zinc/85/31/15/570853115.db2.gz NUHSAGZHWWHTGR-HSZRJFAPSA-N 0 0 379.887 5.105 50 0 GKAARN CSc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 ZINC000014628970 570853354 /nfs/dbraw/zinc/85/33/54/570853354.db2.gz NNBAYIJIVFXWGO-UHFFFAOYSA-N 0 0 396.324 5.486 50 0 GKAARN FC(F)(F)c1cnc(Sc2nnc(C3CC3)n2-c2ccccc2)c(Cl)c1 ZINC000012550343 570853534 /nfs/dbraw/zinc/85/35/34/570853534.db2.gz TWLADGUBGNLYRK-UHFFFAOYSA-N 0 0 396.825 5.363 50 0 GKAARN Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](C)C3)cc1 ZINC000102602355 570853667 /nfs/dbraw/zinc/85/36/67/570853667.db2.gz RIQHAZDZIQXIDJ-QRWLVFNGSA-N 0 0 385.467 5.346 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(F)c(F)c3F)cc12 ZINC000003306066 570854416 /nfs/dbraw/zinc/85/44/16/570854416.db2.gz FKGKUEAEPKUYTN-UHFFFAOYSA-N 0 0 387.386 5.065 50 0 GKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4)ccc3Cl)oc2c(C)c1 ZINC000004703955 570854476 /nfs/dbraw/zinc/85/44/76/570854476.db2.gz POVIFZAMTKAUHZ-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sccc1C ZINC000102623515 570854770 /nfs/dbraw/zinc/85/47/70/570854770.db2.gz JJPOBPZXBLRQNT-FQEVSTJZSA-N 0 0 380.513 5.869 50 0 GKAARN CCCC(=O)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003310885 570854830 /nfs/dbraw/zinc/85/48/30/570854830.db2.gz DAONLKYEIFPHMR-QGZVFWFLSA-N 0 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CCCCNC(=O)c1cc(Sc2ccccc2SC)nc2ccccc21 ZINC000004712074 570858053 /nfs/dbraw/zinc/85/80/53/570858053.db2.gz OIQBTSPMQMXSPD-UHFFFAOYSA-N 0 0 382.554 5.638 50 0 GKAARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1 ZINC000102682136 570858177 /nfs/dbraw/zinc/85/81/77/570858177.db2.gz CFYYMGUEFNMIEF-IERDGZPVSA-N 0 0 390.874 5.305 50 0 GKAARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccccc2Cl)C1 ZINC000102679600 570858184 /nfs/dbraw/zinc/85/81/84/570858184.db2.gz BKKLFFXEWXRFBM-QKKBWIMNSA-N 0 0 390.874 5.305 50 0 GKAARN CCC1=Nc2cc(C(=O)NCCCOC(C)C)ccc2Sc2ccc(C)cc21 ZINC000004712565 570858250 /nfs/dbraw/zinc/85/82/50/570858250.db2.gz QWKYGHLJVVYQQX-UHFFFAOYSA-N 0 0 396.556 5.535 50 0 GKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 ZINC000004712912 570858316 /nfs/dbraw/zinc/85/83/16/570858316.db2.gz ZJJZYZVTHYJNOT-JEAUDRDUSA-N 0 0 398.506 5.687 50 0 GKAARN O=C(c1ccc(-c2ccccc2)cc1)N1c2ccccc2CCc2ccccc21 ZINC000004719688 570859267 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Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)cc1 ZINC000005740860 570920031 /nfs/dbraw/zinc/92/00/31/570920031.db2.gz UEIAVJIFNYLFLK-FPOVZHCZSA-N 0 0 396.277 5.631 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000016282624 570920632 /nfs/dbraw/zinc/92/06/32/570920632.db2.gz ABYJUOANPOZPMA-UHFFFAOYSA-N 0 0 386.520 6.647 50 0 GKAARN Clc1ccc(-c2csc(Nc3c(Cl)cccc3Cl)n2)cc1Cl ZINC000005749297 570920793 /nfs/dbraw/zinc/92/07/93/570920793.db2.gz RFNUSISBLMIONH-UHFFFAOYSA-N 0 0 390.122 7.167 50 0 GKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(C(F)(F)F)cc1 ZINC000007580465 570920871 /nfs/dbraw/zinc/92/08/71/570920871.db2.gz NJCKEHXSNSBLFN-UHFFFAOYSA-N 0 0 394.418 5.001 50 0 GKAARN Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)n1 ZINC000016362441 570923390 /nfs/dbraw/zinc/92/33/90/570923390.db2.gz PFLSKUAWUKGXBC-IBGZPJMESA-N 0 0 383.373 5.180 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000004040076 570924573 /nfs/dbraw/zinc/92/45/73/570924573.db2.gz 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/nfs/dbraw/zinc/92/59/66/570925966.db2.gz IYXXVLJXXHMUGV-PKTZIBPZSA-N 0 0 391.898 5.452 50 0 aggregator GKAARN Cc1nc(C)c(-c2ccc3cc(Br)cc(Br)c3n2)s1 ZINC000004053886 570925970 /nfs/dbraw/zinc/92/59/70/570925970.db2.gz ZJSKYXGSULHMJD-UHFFFAOYSA-N 0 0 398.123 5.500 50 0 GKAARN FC(F)(F)Oc1ccc2nc(/C=C/c3cccs3)c3c(c2c1)SCC3 ZINC000004053540 570925982 /nfs/dbraw/zinc/92/59/82/570925982.db2.gz GEROBHQFQZELKO-GQCTYLIASA-N 0 0 379.428 6.014 50 0 GKAARN FC(F)(F)c1cccc(CSc2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000004059622 570926735 /nfs/dbraw/zinc/92/67/35/570926735.db2.gz YRLSKTSITWAWIO-UHFFFAOYSA-N 0 0 397.465 7.001 50 0 GKAARN Cc1ccc(C)c(Cn2cc(SCC(=O)N3CCCC3)c3ccccc32)c1 ZINC000004059742 570926776 /nfs/dbraw/zinc/92/67/76/570926776.db2.gz UGWHXDXDWMDYOE-UHFFFAOYSA-N 0 0 378.541 5.021 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2Oc2ccccc2Cl)oc2c1C(=O)CCC2 ZINC000032915820 570926913 /nfs/dbraw/zinc/92/69/13/570926913.db2.gz QTHMCYYXPCYJHN-UHFFFAOYSA-N 0 0 395.842 5.805 50 0 GKAARN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000031953609 570927186 /nfs/dbraw/zinc/92/71/86/570927186.db2.gz HECLJALSRAQDQE-JTQLQIEISA-N 0 0 377.284 5.095 50 0 GKAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3cccnc3s2)c1 ZINC000004063048 570928229 /nfs/dbraw/zinc/92/82/29/570928229.db2.gz KAEGPAJPMVDKHP-UHFFFAOYSA-N 0 0 379.872 5.193 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1C ZINC000004070181 570928484 /nfs/dbraw/zinc/92/84/84/570928484.db2.gz BIHJEAMAKAJTQI-UHFFFAOYSA-N 0 0 393.331 5.503 50 0 GKAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1c(F)cccc1F ZINC000004071284 570928970 /nfs/dbraw/zinc/92/89/70/570928970.db2.gz IDUBZRQVZAQVHN-UHFFFAOYSA-N 0 0 385.222 5.647 50 0 GKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1cccc(Br)c1 ZINC000004071247 570929010 /nfs/dbraw/zinc/92/90/10/570929010.db2.gz LELKFIWBLNREOW-UHFFFAOYSA-N 0 0 383.270 5.464 50 0 GKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCc1ccccc1-3 ZINC000051330905 570929795 /nfs/dbraw/zinc/92/97/95/570929795.db2.gz PYHUQVRNQPTRKL-UHFFFAOYSA-N 0 0 390.533 5.325 50 0 GKAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC(C)C ZINC000051331130 570930271 /nfs/dbraw/zinc/93/02/71/570930271.db2.gz GOWBDDRTCHXEGB-HSZRJFAPSA-N 0 0 388.467 5.254 50 0 GKAARN Cc1cccc(NC(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)c1C ZINC000000954898 570930391 /nfs/dbraw/zinc/93/03/91/570930391.db2.gz QAZBHZQZWWRYSV-UHFFFAOYSA-N 0 0 399.446 5.094 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000000935616 570930478 /nfs/dbraw/zinc/93/04/78/570930478.db2.gz PCQKBQCLWXPBCG-HNNXBMFYSA-N 0 0 381.859 5.422 50 0 GKAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1cccc2ccccc21 ZINC000004078341 570930656 /nfs/dbraw/zinc/93/06/56/570930656.db2.gz BFGZNDYZLRPSCU-UHFFFAOYSA-N 0 0 395.484 5.375 50 0 GKAARN CCCC(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078413 570930704 /nfs/dbraw/zinc/93/07/04/570930704.db2.gz HMUSBJKHGKIAQV-UHFFFAOYSA-N 0 0 395.572 5.339 50 0 GKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000004079215 570930735 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CCCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 ZINC000016742462 570932506 /nfs/dbraw/zinc/93/25/06/570932506.db2.gz GBHGUBOSEMPRJC-UHFFFAOYSA-N 0 0 399.328 5.148 50 0 GKAARN Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000004854449 570932694 /nfs/dbraw/zinc/93/26/94/570932694.db2.gz KQEAJORHHPXSAV-NRFANRHFSA-N 0 0 381.426 5.020 50 0 GKAARN Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000002818609 570933272 /nfs/dbraw/zinc/93/32/72/570933272.db2.gz UZMSLDGMDCGNHC-UHFFFAOYSA-N 0 0 394.312 5.918 50 0 GKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)cc1 ZINC000002819114 570933274 /nfs/dbraw/zinc/93/32/74/570933274.db2.gz IXGGBKVTTGQFSQ-UHFFFAOYSA-N 0 0 387.439 5.321 50 0 GKAARN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3ccccc3)n2)cc1 ZINC000002875491 570933658 /nfs/dbraw/zinc/93/36/58/570933658.db2.gz FEUCUUJXQBJFKT-UHFFFAOYSA-N 0 0 388.414 5.446 50 0 GKAARN COc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000002876662 570934332 /nfs/dbraw/zinc/93/43/32/570934332.db2.gz 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/nfs/dbraw/zinc/93/95/33/570939533.db2.gz IUKGQNGBKQBAAC-UHFFFAOYSA-N 0 0 382.535 5.125 50 0 GKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)C1 ZINC000013959652 570939659 /nfs/dbraw/zinc/93/96/59/570939659.db2.gz WFINBHCRKVDECB-HDICACEKSA-N 0 0 393.527 5.097 50 0 GKAARN Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000017078775 570939969 /nfs/dbraw/zinc/93/99/69/570939969.db2.gz ZNGXSVGJTSHNOL-IOHHAYIISA-N 0 0 385.891 5.235 50 0 GKAARN CCC(NC(=O)Nc1cc(Cl)ccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000002091525 570940069 /nfs/dbraw/zinc/94/00/69/570940069.db2.gz ZNYNDFGLQBTAEQ-UHFFFAOYSA-N 0 0 383.119 5.388 50 0 GKAARN COc1ccc([C@@H](CCN(Cc2ccco2)C(=O)c2ccco2)C(C)C)cc1 ZINC000002091322 570940180 /nfs/dbraw/zinc/94/01/80/570940180.db2.gz BREQNYGUYZKAHZ-NRFANRHFSA-N 0 0 381.472 5.354 50 0 biogenic GKAARN Cc1oc2cc(OC(=O)/C=C/c3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000002091920 570940597 /nfs/dbraw/zinc/94/05/97/570940597.db2.gz HPLSYONXNPVTON-NTCAYCPXSA-N 0 0 382.415 5.387 50 0 biogenic GKAARN O=c1oc2cc3occ(-c4ccc5ccccc5c4)c3cc2c2c1CCCCC2 ZINC000002093763 570940918 /nfs/dbraw/zinc/94/09/18/570940918.db2.gz ASEGQBCQYFHXRO-UHFFFAOYSA-N 0 0 380.443 6.628 50 0 biogenic GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCC4=CCCCC4)c(C)c3cc12 ZINC000002095469 570941232 /nfs/dbraw/zinc/94/12/32/570941232.db2.gz QXQBLBVXBDCVBP-UHFFFAOYSA-N 0 0 393.483 5.095 50 0 biogenic GKAARN CC(C)CNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017113278 570941755 /nfs/dbraw/zinc/94/17/55/570941755.db2.gz PPGUQQPINLPTGY-UHFFFAOYSA-N 0 0 392.894 5.280 50 0 GKAARN COc1ccccc1-c1cc(C(F)(F)F)c2cnn(-c3ccccc3F)c2n1 ZINC000036616119 570943507 /nfs/dbraw/zinc/94/35/07/570943507.db2.gz GKSLDDBNMSWWED-UHFFFAOYSA-N 0 0 387.336 5.254 50 0 GKAARN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@H](C)c1ccccc1C ZINC000032932177 570946875 /nfs/dbraw/zinc/94/68/75/570946875.db2.gz OCHRZTNCBKDLDJ-CQSZACIVSA-N 0 0 395.503 5.112 50 0 GKAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000032934833 570947263 /nfs/dbraw/zinc/94/72/63/570947263.db2.gz FLLZYHKMIWHXLG-OAQYLSRUSA-N 0 0 391.902 5.593 50 0 GKAARN O=C(Cc1cccc2cccnc21)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000032933573 570947420 /nfs/dbraw/zinc/94/74/20/570947420.db2.gz ROCFBYNLGFGQJQ-UHFFFAOYSA-N 0 0 379.463 5.110 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000012659667 570947562 /nfs/dbraw/zinc/94/75/62/570947562.db2.gz GYFVVHDLESKWOE-UHFFFAOYSA-N 0 0 383.517 5.054 50 0 GKAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCc1ccc(Cl)cc1Cl ZINC000002396808 570947792 /nfs/dbraw/zinc/94/77/92/570947792.db2.gz XAOGRQHAGXALSZ-UHFFFAOYSA-N 0 0 399.368 5.694 50 0 GKAARN CCn1c(=O)c2c(nc1SCc1cc(C)ccc1C)sc1c2CCCC1 ZINC000002394379 570947847 /nfs/dbraw/zinc/94/78/47/570947847.db2.gz CSRDVKLQVAEBTG-UHFFFAOYSA-N 0 0 384.570 5.266 50 0 GKAARN Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733686 570948032 /nfs/dbraw/zinc/94/80/32/570948032.db2.gz IBHXPNYWKRGIGP-UHFFFAOYSA-N 0 0 391.858 5.478 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2Nc1ccc2c(c1)OCCO2 ZINC000004733617 570948140 /nfs/dbraw/zinc/94/81/40/570948140.db2.gz ZTMROJGSVVSINJ-UHFFFAOYSA-N 0 0 391.858 5.478 50 0 GKAARN Cc1cccc2nc(-c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004733664 570948192 /nfs/dbraw/zinc/94/81/92/570948192.db2.gz GDVFYSLEBUJFMZ-UHFFFAOYSA-N 0 0 391.858 5.478 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733636 570948257 /nfs/dbraw/zinc/94/82/57/570948257.db2.gz AROHVBHKMIXYHA-UHFFFAOYSA-N 0 0 391.858 5.478 50 0 GKAARN Cc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Br)cn32)cc1 ZINC000004733923 570948281 /nfs/dbraw/zinc/94/82/81/570948281.db2.gz JRHYHKCDYPLQOM-UHFFFAOYSA-N 0 0 394.272 5.521 50 0 GKAARN CSc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000032937153 570948793 /nfs/dbraw/zinc/94/87/93/570948793.db2.gz XYDRJIUQTYHLSY-UHFFFAOYSA-N 0 0 385.920 5.046 50 0 GKAARN O=C(c1ccco1)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1ccccc1 ZINC000001241055 570948790 /nfs/dbraw/zinc/94/87/90/570948790.db2.gz QPTWZKORMIUBQR-JOCHJYFZSA-N 0 0 385.463 5.737 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2Nc1ccc2c(c1)OCO2 ZINC000004735112 570948976 /nfs/dbraw/zinc/94/89/76/570948976.db2.gz FRQLFNUYWCUMCL-UHFFFAOYSA-N 0 0 377.831 5.435 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cccc(C)n32)cc1 ZINC000004735085 570948999 /nfs/dbraw/zinc/94/89/99/570948999.db2.gz SDCLHAKRBDTGFD-UHFFFAOYSA-N 0 0 398.510 5.198 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000012689155 570949335 /nfs/dbraw/zinc/94/93/35/570949335.db2.gz ACGQVTSWZMUCES-UHFFFAOYSA-N 0 0 384.479 5.160 50 0 GKAARN Clc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Cl)cn32)cc1 ZINC000004733560 570949512 /nfs/dbraw/zinc/94/95/12/570949512.db2.gz XBPOUAUKRQSTES-UHFFFAOYSA-N 0 0 393.277 6.533 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1[C@H]2CC[C@@H]3[C@H](CC[C@H]12)C3(Cl)Cl ZINC000018069237 570950148 /nfs/dbraw/zinc/95/01/48/570950148.db2.gz BFBWEKPADQPKTF-VQHIRFFYSA-N 0 0 393.141 5.788 50 0 GKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C[C@H](C)CC2)c(C)c1 ZINC000004735804 570950355 /nfs/dbraw/zinc/95/03/55/570950355.db2.gz KKLHODJTQDDJHD-CYBMUJFWSA-N 0 0 397.540 5.592 50 0 GKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Cl)cc1)CO3 ZINC000002112628 570950660 /nfs/dbraw/zinc/95/06/60/570950660.db2.gz GFQRNQXLFWEGAH-UHFFFAOYSA-N 0 0 389.838 5.470 50 0 biogenic GKAARN Cc1cc([C@H]2CCCN2C(=O)c2sc(-c3cccc(Cl)c3)nc2C)on1 ZINC000047287842 570951066 /nfs/dbraw/zinc/95/10/66/570951066.db2.gz UUKSJJSYBBKWLO-OAHLLOKOSA-N 0 0 387.892 5.046 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1ccnc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000004110300 570951730 /nfs/dbraw/zinc/95/17/30/570951730.db2.gz BBJLJRSTBLVCLC-UHFFFAOYSA-N 0 0 394.299 5.423 50 0 GKAARN Cc1ccccc1-c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 ZINC000001272287 570951842 /nfs/dbraw/zinc/95/18/42/570951842.db2.gz FFHIOCZXFISWLX-UHFFFAOYSA-N 0 0 385.492 5.284 50 0 GKAARN COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)c1 ZINC000020616844 570951941 /nfs/dbraw/zinc/95/19/41/570951941.db2.gz FTRUINSJCIZHPV-UHFFFAOYSA-N 0 0 397.400 5.482 50 0 GKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cccc(C)c1 ZINC000033278191 570952439 /nfs/dbraw/zinc/95/24/39/570952439.db2.gz IFXMTKBFYPVERO-UHFFFAOYSA-N 0 0 392.549 5.746 50 0 GKAARN CCc1cc(-c2c(-c3csc(C)n3)cnn2-c2ccccc2)c(O)cc1OC ZINC000001272555 570952633 /nfs/dbraw/zinc/95/26/33/570952633.db2.gz RDAKVPZGZCGGQL-UHFFFAOYSA-N 0 0 391.496 5.248 50 0 GKAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Cl)c(Cl)c1)CO3 ZINC000002118219 570952808 /nfs/dbraw/zinc/95/28/08/570952808.db2.gz DBVXOLWXBUVOGU-UHFFFAOYSA-N 0 0 376.239 5.073 50 0 biogenic GKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000033278565 570952871 /nfs/dbraw/zinc/95/28/71/570952871.db2.gz TZGVUUDJDGXFKF-UHFFFAOYSA-N 0 0 387.414 5.694 50 0 GKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038308186 570953429 /nfs/dbraw/zinc/95/34/29/570953429.db2.gz QGXDSTQHHLUNOW-QCYZZNICSA-N 0 0 386.664 7.245 50 0 GKAARN O=C1CCCC(=O)C1=C1SC2=C(S1)SCc1ccccc1CS2 ZINC000001017304 570953611 /nfs/dbraw/zinc/95/36/11/570953611.db2.gz JFINILULPNJLHN-UHFFFAOYSA-N 0 0 378.565 5.307 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)c3c(C)noc3n2)s1 ZINC000010642161 570953639 /nfs/dbraw/zinc/95/36/39/570953639.db2.gz ZQTLOTBFXDYSOH-UHFFFAOYSA-N 0 0 385.395 5.099 50 0 GKAARN O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccccc3)cc2o1 ZINC000002119722 570953876 /nfs/dbraw/zinc/95/38/76/570953876.db2.gz COIMNIWOOIEOEI-UHFFFAOYSA-N 0 0 396.398 5.145 50 0 biogenic GKAARN Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3 ZINC000001282637 570954094 /nfs/dbraw/zinc/95/40/94/570954094.db2.gz XLWMDBXKJNJVES-UHFFFAOYSA-N 0 0 389.480 5.188 50 0 GKAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(Cl)c1Cl)CO3 ZINC000002120255 570955627 /nfs/dbraw/zinc/95/56/27/570955627.db2.gz NDACCZVEVAZTNM-UHFFFAOYSA-N 0 0 376.239 5.073 50 0 biogenic GKAARN CCCCc1ccc(N2COc3ccc4c(CCCC)cc(=O)oc4c3C2)cc1 ZINC000002121142 570955953 /nfs/dbraw/zinc/95/59/53/570955953.db2.gz AMPXRVFGAWQHJT-UHFFFAOYSA-N 0 0 391.511 5.835 50 0 biogenic GKAARN Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(Br)cc4)c21)CCC3 ZINC000002121539 570956402 /nfs/dbraw/zinc/95/64/02/570956402.db2.gz UNQXDVKWYZAVKP-UHFFFAOYSA-N 0 0 395.252 5.766 50 0 biogenic GKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2cccc(C)c2C)c1 ZINC000033289030 570956528 /nfs/dbraw/zinc/95/65/28/570956528.db2.gz YIAWHWKUMMKPAW-UHFFFAOYSA-N 0 0 395.553 5.284 50 0 GKAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(c2ccc(Oc3ccccc3)cc2)CO1 ZINC000002123094 570957131 /nfs/dbraw/zinc/95/71/31/570957131.db2.gz QOCGHSDARVDYGU-UHFFFAOYSA-N 0 0 399.446 5.559 50 0 biogenic GKAARN COc1ccc(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)cc1 ZINC000033282145 570957317 /nfs/dbraw/zinc/95/73/17/570957317.db2.gz AMYXEHOKQDYPRJ-UHFFFAOYSA-N 0 0 377.465 5.408 50 0 GKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccc2c(c1)OCO2 ZINC000033282148 570957489 /nfs/dbraw/zinc/95/74/89/570957489.db2.gz IWAWDUGGLTYCTO-UHFFFAOYSA-N 0 0 391.448 5.128 50 0 GKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O ZINC000252448860 570957671 /nfs/dbraw/zinc/95/76/71/570957671.db2.gz DUUBUBZZDAETHQ-PHJMGJLRSA-N 0 0 394.942 5.956 50 0 GKAARN CCCc1cc2c(cc1OC(C)C)oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000002126518 570958089 /nfs/dbraw/zinc/95/80/89/570958089.db2.gz DGCDPGNJPFFAED-UHFFFAOYSA-N 0 0 380.440 5.237 50 0 biogenic GKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000012080486 570958653 /nfs/dbraw/zinc/95/86/53/570958653.db2.gz LSDBBVLAKBPMOI-XMSQKQJNSA-N 0 0 376.481 5.389 50 0 GKAARN O=c1c2ccccc2nc(/C=C\c2ccc(O)cc2)n1-c1ccc2ccccc2c1 ZINC000083331053 570958711 /nfs/dbraw/zinc/95/87/11/570958711.db2.gz WYYDUSCTMRDKAU-WJDWOHSUSA-N 0 0 390.442 5.415 50 0 GKAARN CC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 ZINC000001322589 570958757 /nfs/dbraw/zinc/95/87/57/570958757.db2.gz FSTGTILPDULAOM-JOCHJYFZSA-N 0 0 399.490 5.292 50 0 biogenic GKAARN Cc1ccc(/C(=C\N(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033291168 570959047 /nfs/dbraw/zinc/95/90/47/570959047.db2.gz VECJIXFFGWOHLM-HAVVHWLPSA-N 0 0 377.509 5.212 50 0 GKAARN O=C1c2ccc(Oc3ccccc3)cc2Oc2ccccc2N1Cc1ccccc1 ZINC000004743484 570959407 /nfs/dbraw/zinc/95/94/07/570959407.db2.gz GPTWHCPKOWRIFD-UHFFFAOYSA-N 0 0 393.442 6.432 50 0 GKAARN Cc1c([C@@H]2C3=C(CCCC3)C(=O)N2[C@@H](C)c2ccccc2)c2ccccc2n1C ZINC000004748278 570959552 /nfs/dbraw/zinc/95/95/52/570959552.db2.gz JATSYDJCDBNEHZ-GKVSMKOHSA-N 0 0 384.523 6.002 50 0 GKAARN CCCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCCCC)ccc1-2 ZINC000004745269 570959981 /nfs/dbraw/zinc/95/99/81/570959981.db2.gz HGRWYJHBMZMIFL-UHFFFAOYSA-N 0 0 380.528 6.816 50 0 GKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C)s2)sc1C ZINC000033290068 570960685 /nfs/dbraw/zinc/96/06/85/570960685.db2.gz BJPWZLQUQYBUHQ-UHFFFAOYSA-N 0 0 392.571 5.215 50 0 GKAARN Cc1nc(-c2ccccc2NC(=O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000208007899 570960703 /nfs/dbraw/zinc/96/07/03/570960703.db2.gz YPFAYOCDUAQBHL-UHFFFAOYSA-N 0 0 392.402 5.155 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2C)sc2c1[C@H](c1ccc(O)cc1)CC(=O)N2 ZINC000032104320 570960759 /nfs/dbraw/zinc/96/07/59/570960759.db2.gz WTQJYKSPGYPVKT-INIZCTEOSA-N 0 0 392.480 5.446 50 0 GKAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)c(C)s2)n1 ZINC000033289977 570960863 /nfs/dbraw/zinc/96/08/63/570960863.db2.gz ULZQOPNBSVETOF-UHFFFAOYSA-N 0 0 398.962 5.251 50 0 GKAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)c1 ZINC000012691439 570961179 /nfs/dbraw/zinc/96/11/79/570961179.db2.gz JXUKAHFHXVMGPU-UHFFFAOYSA-N 0 0 397.565 5.872 50 0 GKAARN COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000004132726 570961199 /nfs/dbraw/zinc/96/11/99/570961199.db2.gz OVYHFCJHHHQRTJ-UHFFFAOYSA-N 0 0 396.446 5.353 50 0 GKAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004134692 570961615 /nfs/dbraw/zinc/96/16/15/570961615.db2.gz BERXXWBWAHYMDG-UHFFFAOYSA-N 0 0 387.460 5.607 50 0 GKAARN CSc1nc2ccc3nc(NC(=O)CCc4ccccc4)sc3c2s1 ZINC000004134759 570961776 /nfs/dbraw/zinc/96/17/76/570961776.db2.gz YQTRYQCEATXQQD-UHFFFAOYSA-N 0 0 385.539 5.199 50 0 GKAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1nc2ccccc2s1 ZINC000004134681 570961792 /nfs/dbraw/zinc/96/17/92/570961792.db2.gz UKXLKPDIOPYUQQ-UHFFFAOYSA-N 0 0 394.506 5.282 50 0 GKAARN CC(C)=CCC/C(C)=C\COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 ZINC000002133869 570962439 /nfs/dbraw/zinc/96/24/39/570962439.db2.gz QJNVXHWLZHAAOW-UYRXBGFRSA-N 0 0 388.507 6.840 50 0 biogenic GKAARN C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Br)cc1 ZINC000012693682 570962659 /nfs/dbraw/zinc/96/26/59/570962659.db2.gz GMTHJAWLHXMPFH-SNVBAGLBSA-N 0 0 378.266 5.294 50 0 GKAARN COc1cccc(-c2csc(Cc3nc(-c4ccccc4Cl)no3)n2)c1 ZINC000033298263 570962602 /nfs/dbraw/zinc/96/26/02/570962602.db2.gz NVCHTKJCSFAOEI-UHFFFAOYSA-N 0 0 383.860 5.113 50 0 GKAARN CC(C)CN(CC(C)C)C(=O)c1cccc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000000641376 570962964 /nfs/dbraw/zinc/96/29/64/570962964.db2.gz DKRQMXPAANJJPY-UHFFFAOYSA-N 0 0 388.596 5.195 50 0 GKAARN O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000637709 570962978 /nfs/dbraw/zinc/96/29/78/570962978.db2.gz UJHCLLYFEQVCCT-UHFFFAOYSA-N 0 0 391.117 5.487 50 0 GKAARN S=C(Nc1cccc(Br)c1)Nc1cccc(Br)c1 ZINC000000641748 570963101 /nfs/dbraw/zinc/96/31/01/570963101.db2.gz QIUPJABVMBKYJD-UHFFFAOYSA-N 0 0 386.112 5.021 50 0 GKAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)c(Br)c1 ZINC000004144409 570963777 /nfs/dbraw/zinc/96/37/77/570963777.db2.gz RNQKYDPCXPFSPX-FPYGCLRLSA-N 0 0 399.057 5.003 50 0 GKAARN Cc1cccc(-n2c(SCc3cc(F)ccc3F)nnc2-c2ccco2)c1 ZINC000004144516 570964322 /nfs/dbraw/zinc/96/43/22/570964322.db2.gz OHBQBMXDDVDYLW-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN Cc1cc2nc(-c3ccc(C(C)(C)C)cc3)c(Nc3c(C)cccc3C)n2c(C)c1 ZINC000004753498 570964436 /nfs/dbraw/zinc/96/44/36/570964436.db2.gz BMOZBEWLQMUIMR-UHFFFAOYSA-N 0 0 397.566 7.276 50 0 GKAARN COc1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2C)c1 ZINC000004145409 570964478 /nfs/dbraw/zinc/96/44/78/570964478.db2.gz SFEICWYVPZZLAP-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3nccc4sccc43)C2)cc1C ZINC000033299728 570964586 /nfs/dbraw/zinc/96/45/86/570964586.db2.gz MTCUCRSCCGIMER-MJGOQNOKSA-N 0 0 393.556 5.007 50 0 GKAARN Cc1c2ccccc2oc1C(=O)NCCSc1ccc(Br)cc1 ZINC000012697280 570964695 /nfs/dbraw/zinc/96/46/95/570964695.db2.gz OTSNAUFGNUTVNX-UHFFFAOYSA-N 0 0 390.302 5.026 50 0 GKAARN CC(C)(C)c1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000004753565 570965314 /nfs/dbraw/zinc/96/53/14/570965314.db2.gz NYLNPTWTAXENAG-HSZRJFAPSA-N 0 0 375.487 6.549 50 0 GKAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1F ZINC000011300158 570965470 /nfs/dbraw/zinc/96/54/70/570965470.db2.gz ZLPBZIDXHSWGEL-UHFFFAOYSA-N 0 0 380.803 5.004 50 0 GKAARN Cc1ccc(F)cc1NC(=O)c1cc2nc(N3CCCCC3)sc2s1 ZINC000033300992 570965799 /nfs/dbraw/zinc/96/57/99/570965799.db2.gz NIIFDRJXBKNQPV-UHFFFAOYSA-N 0 0 375.494 5.048 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000083823513 570966949 /nfs/dbraw/zinc/96/69/49/570966949.db2.gz VVIZFDBXSGDBGU-UHFFFAOYSA-N 0 0 385.939 5.493 50 0 GKAARN CCN1C(=O)c2cccc3c2c1ccc3NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000003169508 570967089 /nfs/dbraw/zinc/96/70/89/570967089.db2.gz DXQKJGJVEFAHBX-MDWZMJQESA-N 0 0 376.843 5.125 50 0 GKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(C)n1 ZINC000012225961 570968319 /nfs/dbraw/zinc/96/83/19/570968319.db2.gz PKRUEGRAKFNPMM-UHFFFAOYSA-N 0 0 395.438 5.101 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1ccccc1SCc1cccs1 ZINC000011327716 570969035 /nfs/dbraw/zinc/96/90/35/570969035.db2.gz VSRZHBPEVZISTE-UHFFFAOYSA-N 0 0 382.535 5.902 50 0 GKAARN CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 ZINC000004167564 570969408 /nfs/dbraw/zinc/96/94/08/570969408.db2.gz MEGVYDZCXZXWTO-UHFFFAOYSA-N 0 0 399.324 5.343 50 0 GKAARN CCC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)s3)=NN21 ZINC000106937343 570969406 /nfs/dbraw/zinc/96/94/06/570969406.db2.gz VUZNMRLIXKKCGV-KDOFPFPSSA-N 0 0 391.334 5.570 50 0 GKAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cccc2ccccc21 ZINC000211083970 570969415 /nfs/dbraw/zinc/96/94/15/570969415.db2.gz CJXHKNBKASGAEE-UHFFFAOYSA-N 0 0 377.490 5.124 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000211081164 570969467 /nfs/dbraw/zinc/96/94/67/570969467.db2.gz MNEWTWINTRLSSH-HNNXBMFYSA-N 0 0 380.385 5.646 50 0 GKAARN CCCN(CCC)C(=O)Nc1ccc(C)c(NC(=O)N(CCC)CCC)c1 ZINC000004774756 570969525 /nfs/dbraw/zinc/96/95/25/570969525.db2.gz OCWHZNDECVZSSB-UHFFFAOYSA-N 0 0 376.545 5.303 50 0 GKAARN Fc1ccc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000106937398 570969593 /nfs/dbraw/zinc/96/95/93/570969593.db2.gz ZATUBCAHUWZIBY-FXAWDEMLSA-N 0 0 384.863 5.783 50 0 GKAARN O=C(c1ccc2ncsc2c1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000211146282 570970368 /nfs/dbraw/zinc/97/03/68/570970368.db2.gz ZRLWGPJLFOVWIV-QGZVFWFLSA-N 0 0 388.945 5.270 50 0 GKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1cccc(Cl)c1F ZINC000033312716 570971261 /nfs/dbraw/zinc/97/12/61/570971261.db2.gz WNEJKHYGDSDCBK-UHFFFAOYSA-N 0 0 398.800 5.577 50 0 GKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc(C(C)C)c1 ZINC000033312573 570971535 /nfs/dbraw/zinc/97/15/35/570971535.db2.gz KYWDAHXNYJEXNS-UHFFFAOYSA-N 0 0 394.544 5.366 50 0 GKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)cc4)c(C)c3cc2c1C ZINC000002149078 570972321 /nfs/dbraw/zinc/97/23/21/570972321.db2.gz NOTWDJJBHVHKRU-UHFFFAOYSA-N 0 0 389.451 5.344 50 0 biogenic GKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000004767953 570972578 /nfs/dbraw/zinc/97/25/78/570972578.db2.gz SIRVNPAMIVHDGQ-NRFANRHFSA-N 0 0 393.462 5.198 50 0 GKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000033315043 570972723 /nfs/dbraw/zinc/97/27/23/570972723.db2.gz RCUPKXHGLXWJJG-DEOSSOPVSA-N 0 0 396.494 5.305 50 0 GKAARN CC[C@@H]1CC[C@@H](CC)P1c1ccccc1P1(=O)[C@H](CC)CC[C@H]1CC ZINC000084847641 570972964 /nfs/dbraw/zinc/97/29/64/570972964.db2.gz PFNSFIIPVBDTTF-UAFMIMERSA-N 0 0 378.477 6.484 50 0 GKAARN C=Cc1ccc(COc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)cc1 ZINC000002152426 570972957 /nfs/dbraw/zinc/97/29/57/570972957.db2.gz NBPSKHYAWKCFME-UHFFFAOYSA-N 0 0 398.458 5.999 50 0 biogenic GKAARN c1sc(-c2cccc(-c3nc(-c4ccncc4)cs3)c2)nc1-c1ccncc1 ZINC000084847104 570973007 /nfs/dbraw/zinc/97/30/07/570973007.db2.gz BAIVNAOKZPUEIV-UHFFFAOYSA-N 0 0 398.516 6.058 50 0 GKAARN Clc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1Cl ZINC000019320026 570974425 /nfs/dbraw/zinc/97/44/25/570974425.db2.gz RDRNCKNZDZAKLY-UHFFFAOYSA-N 0 0 397.349 6.010 50 0 GKAARN O=c1oc2ccccc2c2c1[C@@H](c1ccc(O)cc1)c1c(ccc3ccccc31)N2 ZINC000004173616 570974569 /nfs/dbraw/zinc/97/45/69/570974569.db2.gz JNOCQIHGLDXFAP-QFIPXVFZSA-N 0 0 391.426 5.889 50 0 GKAARN CC(C)c1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 ZINC000019325386 570974638 /nfs/dbraw/zinc/97/46/38/570974638.db2.gz DVEUXPIDTHPKNA-UHFFFAOYSA-N 0 0 384.567 6.217 50 0 GKAARN CN(C)c1nn(C(=O)Nc2ccccc2)cc1-c1ccc(Oc2ccccc2)cc1 ZINC000001384692 570975137 /nfs/dbraw/zinc/97/51/37/570975137.db2.gz ZAFMOAJLRYOCFJ-UHFFFAOYSA-N 0 0 398.466 5.489 50 0 GKAARN O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc(F)ccc1-c1ccccc1 ZINC000044553242 570975545 /nfs/dbraw/zinc/97/55/45/570975545.db2.gz KQXLMERHGWCYPA-UHFFFAOYSA-N 0 0 385.398 5.327 50 0 GKAARN CCC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2)cc1C ZINC000044661085 570976051 /nfs/dbraw/zinc/97/60/51/570976051.db2.gz JKXVPRNQZJYQRK-UHFFFAOYSA-N 0 0 376.431 5.402 50 0 GKAARN CC1CCN(c2cccc(NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)c2)CC1 ZINC000252502863 570977454 /nfs/dbraw/zinc/97/74/54/570977454.db2.gz UWAGCVPPZJZHHZ-KRWDZBQOSA-N 0 0 383.458 5.118 50 0 GKAARN FC(F)(F)c1cnc(-c2cnc3c(-c4cccs4)cnn3c2)c(Cl)c1 ZINC000001391626 570977991 /nfs/dbraw/zinc/97/79/91/570977991.db2.gz OPWVGWHXWNLMDY-UHFFFAOYSA-N 0 0 380.782 5.192 50 0 GKAARN O=C(CSc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000044859808 570978131 /nfs/dbraw/zinc/97/81/31/570978131.db2.gz YVWKPNHKHJISGU-UHFFFAOYSA-N 0 0 386.369 5.135 50 0 GKAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000044854721 570978387 /nfs/dbraw/zinc/97/83/87/570978387.db2.gz ZIKZHXWXHNHYML-IBGZPJMESA-N 0 0 397.522 5.204 50 0 GKAARN CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC000044837279 570978572 /nfs/dbraw/zinc/97/85/72/570978572.db2.gz GAEAFVMKSUIJNA-UHFFFAOYSA-N 0 0 384.277 5.215 50 0 GKAARN COc1c(Cl)cccc1NC(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000083915274 570978568 /nfs/dbraw/zinc/97/85/68/570978568.db2.gz KNTJXKLMCIDAIZ-UHFFFAOYSA-N 0 0 399.853 5.290 50 0 GKAARN CC(C)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 ZINC000044837274 570978636 /nfs/dbraw/zinc/97/86/36/570978636.db2.gz BBVNCSJAXPJCGY-UHFFFAOYSA-N 0 0 384.277 5.215 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 ZINC000044837650 570978703 /nfs/dbraw/zinc/97/87/03/570978703.db2.gz RUUUAUUFOSTNRK-UHFFFAOYSA-N 0 0 383.451 5.216 50 0 GKAARN Cc1cccc(C(=O)N[C@@H](Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)c1 ZINC000004774859 570978889 /nfs/dbraw/zinc/97/88/89/570978889.db2.gz ZEBKJWXBONUJNA-QGZVFWFLSA-N 0 0 385.722 5.150 50 0 GKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2cc(C)ccc2C)o1 ZINC000012749296 570980362 /nfs/dbraw/zinc/98/03/62/570980362.db2.gz HBEUCCDICMKMIA-UHFFFAOYSA-N 0 0 377.469 5.609 50 0 GKAARN COc1cc(NC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc(OC)c1 ZINC000083920137 570980823 /nfs/dbraw/zinc/98/08/23/570980823.db2.gz FUEGUTDGTHHWJY-SFHVURJKSA-N 0 0 397.500 5.073 50 0 GKAARN COc1cc(NC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1 ZINC000083920135 570981068 /nfs/dbraw/zinc/98/10/68/570981068.db2.gz FUEGUTDGTHHWJY-GOSISDBHSA-N 0 0 397.500 5.073 50 0 GKAARN O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000012739280 570981220 /nfs/dbraw/zinc/98/12/20/570981220.db2.gz WKPZHVJFRZHZRY-OAQYLSRUSA-N 0 0 398.462 5.219 50 0 GKAARN COc1ccc([C@H]2CCCCCN2C(=O)NCc2nc3ccccc3s2)cc1 ZINC000083943863 570982028 /nfs/dbraw/zinc/98/20/28/570982028.db2.gz MFXHFEMUMRYTJH-LJQANCHMSA-N 0 0 395.528 5.132 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000001401191 570982039 /nfs/dbraw/zinc/98/20/39/570982039.db2.gz VZOIHJZDAYBKBM-UHFFFAOYSA-N 0 0 384.329 5.359 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001401662 570982084 /nfs/dbraw/zinc/98/20/84/570982084.db2.gz KVGANTODEZYGKO-UHFFFAOYSA-N 0 0 387.389 5.341 50 0 aggregator GKAARN COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000044885679 570982370 /nfs/dbraw/zinc/98/23/70/570982370.db2.gz YPTILMUPJBGKIQ-FIOICXDGSA-N 0 0 391.898 5.767 50 0 GKAARN Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3c(Cl)cccc3Cl)c2cc1C ZINC000001401763 570982455 /nfs/dbraw/zinc/98/24/55/570982455.db2.gz RUJWVJINTCYPIX-UHFFFAOYSA-N 0 0 398.293 5.364 50 0 GKAARN COc1ccc2oc([C@H](C)NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)c(C)c2c1 ZINC000252514755 570983189 /nfs/dbraw/zinc/98/31/89/570983189.db2.gz DHWRAXAIODYMCT-QUZZAMIASA-N 0 0 393.483 5.095 50 0 GKAARN O=C(Nc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000044920494 570983508 /nfs/dbraw/zinc/98/35/08/570983508.db2.gz MBNIODNIQGPMMW-QFIPXVFZSA-N 0 0 388.511 5.120 50 0 GKAARN COc1ccc(CSc2nnc(-c3ccccc3C)n2-c2ccccc2)cc1 ZINC000004184668 570984688 /nfs/dbraw/zinc/98/46/88/570984688.db2.gz TZMKMLDKAOEYOI-UHFFFAOYSA-N 0 0 387.508 5.544 50 0 GKAARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000004776866 570984705 /nfs/dbraw/zinc/98/47/05/570984705.db2.gz IZTBEMZSRXBFGW-OAHLLOKOSA-N 0 0 388.442 6.400 50 0 GKAARN Cc1cccc(Nc2ccccc2C(=O)Nc2cccc(C(=O)N(C)C)c2)c1C ZINC000025889962 570986471 /nfs/dbraw/zinc/98/64/71/570986471.db2.gz YHMJZQLISBHQAV-UHFFFAOYSA-N 0 0 387.483 5.001 50 0 GKAARN CC(C)c1nc(NC(=O)c2cccs2)sc1-c1nc(-c2ccccc2)no1 ZINC000033331307 570987207 /nfs/dbraw/zinc/98/72/07/570987207.db2.gz VXARBUVMQQQGES-UHFFFAOYSA-N 0 0 396.497 5.297 50 0 GKAARN CSc1ccc(CNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1 ZINC000033331588 570987326 /nfs/dbraw/zinc/98/73/26/570987326.db2.gz XEEKFKRLDYPVQM-UHFFFAOYSA-N 0 0 376.485 5.236 50 0 GKAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2ccc(F)cc2Cl)no1 ZINC000033331496 570987504 /nfs/dbraw/zinc/98/75/04/570987504.db2.gz JWTAGKWDMSJNQF-UHFFFAOYSA-N 0 0 382.826 5.306 50 0 GKAARN Cc1nc(-c2cc3cccc(C)c3nc2NCCc2ccc(Cl)cc2)no1 ZINC000033331614 570987675 /nfs/dbraw/zinc/98/76/75/570987675.db2.gz GYJBEFMXVNKRQK-UHFFFAOYSA-N 0 0 378.863 5.210 50 0 GKAARN Cc1ccc2cccc(OC(=O)/C=C\c3ccc(-c4ccc(Cl)cc4)o3)c2n1 ZINC000033334131 570988524 /nfs/dbraw/zinc/98/85/24/570988524.db2.gz GWJLWTOFBFAZTH-OWBHPGMISA-N 0 0 389.838 6.075 50 0 GKAARN Cc1ccc(-n2nc3ccc(NC(=O)/C=C\c4ccccc4)cc3n2)cc1Cl ZINC000033334130 570988531 /nfs/dbraw/zinc/98/85/31/570988531.db2.gz BIVHWWOERAAYMJ-WQLSENKSSA-N 0 0 388.858 5.034 50 0 GKAARN C(\c1cccs1)=C1\CCCCC2=NN(c3ccccc3)[C@@H](c3cccs3)[C@@H]21 ZINC000004784427 570988613 /nfs/dbraw/zinc/98/86/13/570988613.db2.gz IIQDJKCPBKIREC-QXDWNANASA-N 0 0 390.577 7.001 50 0 GKAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C\c1ccccc1 ZINC000033334147 570988674 /nfs/dbraw/zinc/98/86/74/570988674.db2.gz CFRYEHNWVIGDFA-GHXNOFRVSA-N 0 0 388.858 5.034 50 0 GKAARN O=C(OC1CCCCC1)c1cccc(COc2ccccc2Br)c1 ZINC000002750956 570988847 /nfs/dbraw/zinc/98/88/47/570988847.db2.gz AJYMBMOAWQNFSU-UHFFFAOYSA-N 0 0 389.289 5.518 50 0 GKAARN CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccccc1 ZINC000004785448 570988900 /nfs/dbraw/zinc/98/89/00/570988900.db2.gz YMMCDHNPKLYEMW-VWLOTQADSA-N 0 0 379.544 5.342 50 0 GKAARN COc1ccc(NC(=O)N(C)[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004785175 570989082 /nfs/dbraw/zinc/98/90/82/570989082.db2.gz JMXGWHOCGAKBST-HSZRJFAPSA-N 0 0 390.483 5.152 50 0 GKAARN O=C(/C=C\c1cccc2ccccc12)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000033333787 570989084 /nfs/dbraw/zinc/98/90/84/570989084.db2.gz SRQNSWRBGADJPX-ZCXUNETKSA-N 0 0 392.458 5.744 50 0 GKAARN COC(=O)c1cc(-c2ccc(-c3ccc(C(C)=O)s3)s2)nc2ccccc21 ZINC000004785727 570989731 /nfs/dbraw/zinc/98/97/31/570989731.db2.gz BGPLWAWDHVBIQO-UHFFFAOYSA-N 0 0 393.489 5.681 50 0 GKAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(C(F)(F)F)c3)c12 ZINC000012746791 570989835 /nfs/dbraw/zinc/98/98/35/570989835.db2.gz PMBQBBWUFIWWOQ-UHFFFAOYSA-N 0 0 387.317 5.062 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000012747269 570990487 /nfs/dbraw/zinc/99/04/87/570990487.db2.gz 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Cc1ccccc1Nc1nc(NCCC(C)C)nc2c1cnn2-c1ccccc1 ZINC000017136022 210205720 /nfs/dbraw/zinc/20/57/20/210205720.db2.gz LSDKWNAIPZHAJT-UHFFFAOYSA-N 0 0 386.503 5.326 50 0 GKAARN CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(C)cc2)c1-c1ccc(OC)cc1 ZINC000017081531 210205158 /nfs/dbraw/zinc/20/51/58/210205158.db2.gz UUKXCTLQJJJWDJ-UHFFFAOYSA-N 0 0 398.506 6.094 50 0 GKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3cc(C)ccc3C)n2)c1 ZINC000017081536 210205107 /nfs/dbraw/zinc/20/51/07/210205107.db2.gz JERKQFNHJOLKHH-UHFFFAOYSA-N 0 0 398.506 5.899 50 0 GKAARN CCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccc(C)c(C)c3n2)cc1 ZINC000017080882 210204762 /nfs/dbraw/zinc/20/47/62/210204762.db2.gz PPRUNUPMCVKUKM-UHFFFAOYSA-N 0 0 395.506 5.406 50 0 GKAARN CCc1c(-c2cccc(OC)c2)nn(Cc2ccccc2)c1-c1cccc(OC)c1 ZINC000017081537 210204719 /nfs/dbraw/zinc/20/47/19/210204719.db2.gz YRAXYFGIANNMOK-UHFFFAOYSA-N 0 0 398.506 5.845 50 0 GKAARN CCCCOc1cccc(-c2cc(C3N=NC(=S)N3C)c3ccccc3n2)c1 ZINC000017079748 210203317 /nfs/dbraw/zinc/20/33/17/210203317.db2.gz CIEONFASLGGETL-UHFFFAOYSA-N 0 0 390.512 5.165 50 0 GKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2cccc(F)c2)n1 ZINC000017079288 210202975 /nfs/dbraw/zinc/20/29/75/210202975.db2.gz PQJMWGOYAHJXAP-UHFFFAOYSA-N 0 0 388.442 5.422 50 0 GKAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccccc3C)n2)c1 ZINC000017078502 210202980 /nfs/dbraw/zinc/20/29/80/210202980.db2.gz QPOPZMRMNSVLGG-UHFFFAOYSA-N 0 0 384.479 5.591 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000017078498 210202654 /nfs/dbraw/zinc/20/26/54/210202654.db2.gz WJBQRBRSPXEGMS-UHFFFAOYSA-N 0 0 384.479 5.840 50 0 GKAARN COc1cccc(-c2nn(-c3ccc(F)cc3)c(-c3cccc(OC)c3)c2C)c1 ZINC000017079286 210202210 /nfs/dbraw/zinc/20/22/10/210202210.db2.gz IPALTWBTMMGKHM-UHFFFAOYSA-N 0 0 388.442 5.671 50 0 GKAARN Cc1c(-c2ccc(C)cc2)nn(Cc2cc(C)ccc2C)c1-c1ccc(C)cc1 ZINC000017077837 210202349 /nfs/dbraw/zinc/20/23/49/210202349.db2.gz UMGMPLOPBIATCA-UHFFFAOYSA-N 0 0 380.535 6.808 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000017077512 210201520 /nfs/dbraw/zinc/20/15/20/210201520.db2.gz OIVLXNKQHYRYBU-UHFFFAOYSA-N 0 0 378.903 5.992 50 0 GKAARN Cc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042440 210201554 /nfs/dbraw/zinc/20/15/54/210201554.db2.gz HPHJQFWNUMSFCD-UHFFFAOYSA-N 0 0 384.487 5.222 50 0 GKAARN S=C(Nc1ccc(Br)c(Cl)c1)Nc1ccccc1Cl ZINC000017076896 210201116 /nfs/dbraw/zinc/20/11/16/210201116.db2.gz JNRXBQNZRCMHQM-UHFFFAOYSA-N 0 0 376.106 5.565 50 0 GKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)C1 ZINC000017077670 210200913 /nfs/dbraw/zinc/20/09/13/210200913.db2.gz RBXYFJRGBCZTCA-GASCZTMLSA-N 0 0 379.891 5.068 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc(Cl)c1 ZINC000016944627 210199234 /nfs/dbraw/zinc/19/92/34/210199234.db2.gz SFQNSJDPYBEEOG-UHFFFAOYSA-N 0 0 389.842 6.306 50 0 GKAARN O=C(Nc1ccc2c(c1)OCO2)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000016842628 210199021 /nfs/dbraw/zinc/19/90/21/210199021.db2.gz ACQPTHOPERSKCV-UHFFFAOYSA-N 0 0 388.448 5.187 50 0 GKAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000016752374 210197566 /nfs/dbraw/zinc/19/75/66/210197566.db2.gz XSBCHQHLOHFZPW-NRFANRHFSA-N 0 0 375.468 5.262 50 0 GKAARN CCc1ccc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 ZINC000016753206 210197239 /nfs/dbraw/zinc/19/72/39/210197239.db2.gz QIIIYLUMRIPMLL-UHFFFAOYSA-N 0 0 381.781 5.849 50 0 GKAARN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)c1ccc(Cl)cc1 ZINC000016697335 210195865 /nfs/dbraw/zinc/19/58/65/210195865.db2.gz PZRMZYBRURTRTJ-SFHVURJKSA-N 0 0 389.879 5.039 50 0 GKAARN COc1ccc(NC(=O)CC23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1 ZINC000016320143 210188566 /nfs/dbraw/zinc/18/85/66/210188566.db2.gz OIDQJUJRNASSQO-VINFYQEGSA-N 0 0 375.512 5.562 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccnc4Cl)c3)oc2c1 ZINC000016348562 210188717 /nfs/dbraw/zinc/18/87/17/210188717.db2.gz OLNTWWMUWLPYDS-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccnc4Cl)c3)oc2cc1C ZINC000016284213 210188752 /nfs/dbraw/zinc/18/87/52/210188752.db2.gz BWAMHZXKLQSOQW-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)CCC(=O)Nc2ccc([C@@H](C)CC)cc2)cc1 ZINC000016246963 210186225 /nfs/dbraw/zinc/18/62/25/210186225.db2.gz CVZNMRXFAOXKFD-HDICACEKSA-N 0 0 380.532 6.071 50 0 GKAARN CSc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000015881876 210178495 /nfs/dbraw/zinc/17/84/95/210178495.db2.gz RJBBGZWZERSLFG-UHFFFAOYSA-N 0 0 390.533 6.246 50 0 GKAARN O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)Nc1nccs1 ZINC000015869910 210177514 /nfs/dbraw/zinc/17/75/14/210177514.db2.gz GOVJGTDPZBKMGB-UHFFFAOYSA-N 0 0 383.473 5.096 50 0 GKAARN Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3Br)o2)cc1 ZINC000015867363 210176703 /nfs/dbraw/zinc/17/67/03/210176703.db2.gz DDEQBEHKMYROSO-UHFFFAOYSA-N 0 0 384.273 5.589 50 0 GKAARN O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1 ZINC000015867370 210176538 /nfs/dbraw/zinc/17/65/38/210176538.db2.gz WSRVEXJAKYYUPF-UHFFFAOYSA-N 0 0 388.236 5.420 50 0 GKAARN O=C(CSc1ccccc1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000015863642 210176567 /nfs/dbraw/zinc/17/65/67/210176567.db2.gz SOCRPMPXEUOICY-UHFFFAOYSA-N 0 0 387.508 5.079 50 0 GKAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000015866806 210176323 /nfs/dbraw/zinc/17/63/23/210176323.db2.gz YJFMZTSDEXLQHH-HXUWFJFHSA-N 0 0 389.586 5.241 50 0 GKAARN CCOC(=O)CC1(NC(=O)N2CCCCC[C@H]2c2cccs2)CCCCC1 ZINC000015867150 210175542 /nfs/dbraw/zinc/17/55/42/210175542.db2.gz AJWPYVWXDASTHR-KRWDZBQOSA-N 0 0 392.565 5.031 50 0 GKAARN CCn1c(CCc2cccc(NC(=O)c3ccc(F)cc3)c2)nc2ccccc21 ZINC000015863674 210175344 /nfs/dbraw/zinc/17/53/44/210175344.db2.gz CIUSBPZLRFZSIJ-UHFFFAOYSA-N 0 0 387.458 5.233 50 0 GKAARN Cc1c(C)n(-c2cccc(C)c2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000015842229 210174902 /nfs/dbraw/zinc/17/49/02/210174902.db2.gz ZUIJJUIHGJFKAA-UHFFFAOYSA-N 0 0 387.874 5.314 50 0 GKAARN Cc1c(C)n(-c2ccccc2Cl)c2ncn3nc(-c4cccc(C)c4)nc3c12 ZINC000015842370 210173804 /nfs/dbraw/zinc/17/38/04/210173804.db2.gz YAHRLWRIQGNJFI-UHFFFAOYSA-N 0 0 387.874 5.314 50 0 GKAARN CCCCc1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 ZINC000015838728 210173116 /nfs/dbraw/zinc/17/31/16/210173116.db2.gz MJRDXXVCFVATID-UHFFFAOYSA-N 0 0 383.875 5.619 50 0 GKAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000015840801 210172825 /nfs/dbraw/zinc/17/28/25/210172825.db2.gz UKEHIEFTKVRDHZ-MRXNPFEDSA-N 0 0 392.499 5.337 50 0 GKAARN CCCOc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c2cccnc12 ZINC000015840959 210172847 /nfs/dbraw/zinc/17/28/47/210172847.db2.gz IUKCSXNXDMQOBR-UHFFFAOYSA-N 0 0 378.472 5.311 50 0 GKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000015832366 210172561 /nfs/dbraw/zinc/17/25/61/210172561.db2.gz OMMVAHCCDBQHKT-MRXNPFEDSA-N 0 0 394.540 5.191 50 0 GKAARN CC[C@H](C)NC(=O)c1ccc(-c2nc(CSc3ccccc3)c(C)o2)cc1 ZINC000015682211 210164557 /nfs/dbraw/zinc/16/45/57/210164557.db2.gz PNDGACUYGSFYFO-HNNXBMFYSA-N 0 0 380.513 5.471 50 0 GKAARN Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CSc1ccccc1 ZINC000015682230 210163985 /nfs/dbraw/zinc/16/39/85/210163985.db2.gz HCBPVIWNTBCQIN-UHFFFAOYSA-N 0 0 394.540 5.718 50 0 GKAARN Cc1ccccc1Cn1cc(CCC(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc21 ZINC000015678404 210162822 /nfs/dbraw/zinc/16/28/22/210162822.db2.gz VIFQXFGGROEPHB-GBXCKJPGSA-N 0 0 388.555 5.626 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000015681265 210162721 /nfs/dbraw/zinc/16/27/21/210162721.db2.gz NBJIHPAEROZHDX-UHFFFAOYSA-N 0 0 384.483 5.095 50 0 GKAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1cccc(Cl)c1Cl ZINC000015587390 210159723 /nfs/dbraw/zinc/15/97/23/210159723.db2.gz SHZHVQFZTLGHHG-UHFFFAOYSA-N 0 0 388.176 5.001 50 0 GKAARN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000015314941 210156142 /nfs/dbraw/zinc/15/61/42/210156142.db2.gz SFIIEPFNSCFFTP-GOSISDBHSA-N 0 0 387.479 5.160 50 0 GKAARN COc1ccc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc1O ZINC000015106474 210152770 /nfs/dbraw/zinc/15/27/70/210152770.db2.gz YFPWRQWYFJODAC-UKRRQHHQSA-N 0 0 385.529 5.087 50 0 GKAARN Cc1cc(C)c2c(N)c(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)sc2n1 ZINC000015107930 210152187 /nfs/dbraw/zinc/15/21/87/210152187.db2.gz DSTCGXDVUUOZQT-UHFFFAOYSA-N 0 0 390.390 5.231 50 0 GKAARN Cc1ccc(-n2cc(CN(C)Cc3nccs3)c(-c3cccc(C)c3)n2)cc1 ZINC000015074548 210151481 /nfs/dbraw/zinc/15/14/81/210151481.db2.gz GEYVIGQZJQBFOC-UHFFFAOYSA-N 0 0 388.540 5.245 50 0 GKAARN O=C(NCc1cncc(-c2cccs2)c1)NC(c1ccccc1)c1ccccc1 ZINC000225667896 222688597 /nfs/dbraw/zinc/68/85/97/222688597.db2.gz SCEJFHKAKJNYKE-UHFFFAOYSA-N 0 0 399.519 5.399 50 0 GKAARN COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1C(C)C ZINC000015010565 210143209 /nfs/dbraw/zinc/14/32/09/210143209.db2.gz FPCMFCHCSUUBOC-NDENLUEZSA-N 0 0 381.497 5.364 50 0 GKAARN O[C@H](C[C@@H]1CCCCCN1c1nc(C(F)F)nc2ccccc21)c1ccco1 ZINC000229880327 222713280 /nfs/dbraw/zinc/71/32/80/222713280.db2.gz VRVKLUNCBCOGEH-WMLDXEAASA-N 0 0 387.430 5.033 50 0 GKAARN Cc1ccc(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3cccc(C)c3)C2)s1 ZINC000014889059 210132154 /nfs/dbraw/zinc/13/21/54/210132154.db2.gz PACSMJINTRWGSB-IBGZPJMESA-N 0 0 391.540 5.150 50 0 GKAARN CC(C)c1nc2cc(C(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2o1 ZINC000014949297 210130304 /nfs/dbraw/zinc/13/03/04/210130304.db2.gz UNDVRAXDOFQTRZ-MRXNPFEDSA-N 0 0 396.462 5.022 50 0 GKAARN COc1cc(C(=O)OCc2cc3ccc(C)cc3nc2Cl)ccc1OC(C)C ZINC000014847885 210129920 /nfs/dbraw/zinc/12/99/20/210129920.db2.gz RYSLAYAQFLEYDB-UHFFFAOYSA-N 0 0 399.874 5.349 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014709817 210125769 /nfs/dbraw/zinc/12/57/69/210125769.db2.gz ZZFAVXZDLAIWLY-UHFFFAOYSA-N 0 0 383.854 5.104 50 0 GKAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000014704180 210122812 /nfs/dbraw/zinc/12/28/12/210122812.db2.gz RHZZYWCWFBHBJY-LJQANCHMSA-N 0 0 397.496 5.791 50 0 GKAARN Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000014609518 210120665 /nfs/dbraw/zinc/12/06/65/210120665.db2.gz XUQQAVNLWMFFCF-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(F)cc3C)c12 ZINC000014264840 210113632 /nfs/dbraw/zinc/11/36/32/210113632.db2.gz ZNDQJCOUSCDVDW-UHFFFAOYSA-N 0 0 379.366 5.037 50 0 GKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000014387219 210115322 /nfs/dbraw/zinc/11/53/22/210115322.db2.gz GDXXXTYGYKDLLN-UHFFFAOYSA-N 0 0 388.467 5.213 50 0 GKAARN CC(=O)c1c(C)nc(-c2ccco2)nc1SCCCC(=O)c1ccc(F)cc1 ZINC000014247555 210114297 /nfs/dbraw/zinc/11/42/97/210114297.db2.gz JZPWWQRNAACVLW-UHFFFAOYSA-N 0 0 398.459 5.142 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000014179587 210107340 /nfs/dbraw/zinc/10/73/40/210107340.db2.gz XWZCTEUWHCFHDG-UHFFFAOYSA-N 0 0 375.403 5.206 50 0 GKAARN FC(F)n1ccnc1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000014095308 210104462 /nfs/dbraw/zinc/10/44/62/210104462.db2.gz NIPDQNXAAQPYQU-UHFFFAOYSA-N 0 0 382.439 5.628 50 0 GKAARN CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1cccc(Cl)c1 ZINC000014091971 210101794 /nfs/dbraw/zinc/10/17/94/210101794.db2.gz YPWLVVPSSPKHOF-UHFFFAOYSA-N 0 0 378.328 5.488 50 0 GKAARN Cc1sc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)nc1-c1ccc(F)cc1 ZINC000014083028 210101508 /nfs/dbraw/zinc/10/15/08/210101508.db2.gz QFGZEYAAWBNBRY-SJKOYZFVSA-N 0 0 384.476 5.545 50 0 GKAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2ccccc2c1 ZINC000013985856 210098096 /nfs/dbraw/zinc/09/80/96/210098096.db2.gz DRZMHRJMIBXBGT-UHFFFAOYSA-N 0 0 399.519 5.332 50 0 GKAARN Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)c1 ZINC000013960637 210098297 /nfs/dbraw/zinc/09/82/97/210098297.db2.gz BFJFNUKCLBUOMV-UHFFFAOYSA-N 0 0 394.562 7.116 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC3CCCCCC3)c12 ZINC000013961190 210097442 /nfs/dbraw/zinc/09/74/42/210097442.db2.gz REYJJHVTGFSJNT-UHFFFAOYSA-N 0 0 388.515 5.059 50 0 GKAARN Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000013988219 210097526 /nfs/dbraw/zinc/09/75/26/210097526.db2.gz XJJHOIXTPXWGPC-KBPBESRZSA-N 0 0 382.356 5.968 50 0 GKAARN Cc1ccc(-c2nn(Cc3cccc(C)c3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013960446 210097381 /nfs/dbraw/zinc/09/73/81/210097381.db2.gz LDLKIZBBGKEEGO-UHFFFAOYSA-N 0 0 386.926 6.844 50 0 GKAARN O=C1C2=C(CCCC2)[C@@H](NCc2ccc(F)cc2)N1[C@H]1CCCc2ccccc21 ZINC000013940368 210096576 /nfs/dbraw/zinc/09/65/76/210096576.db2.gz NRUUXPMTCSCTPL-ZEQRLZLVSA-N 0 0 390.502 5.032 50 0 GKAARN CCSc1ccccc1C(=O)Nc1nnc(CCCc2ccccc2)s1 ZINC000013856322 210093288 /nfs/dbraw/zinc/09/32/88/210093288.db2.gz OVQHKDCZTTTWFC-UHFFFAOYSA-N 0 0 383.542 5.078 50 0 GKAARN CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013770652 210090527 /nfs/dbraw/zinc/09/05/27/210090527.db2.gz UICNKHYZLYXAHL-BWKNWUBXSA-N 0 0 398.462 5.220 50 0 GKAARN CCc1cc(Br)ccc1NC(=O)Nc1ccccc1Br ZINC000013745989 210087924 /nfs/dbraw/zinc/08/79/24/210087924.db2.gz MEZCJLDKUAHAIR-UHFFFAOYSA-N 0 0 398.098 5.418 50 0 GKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)cc1 ZINC000013758807 210087474 /nfs/dbraw/zinc/08/74/74/210087474.db2.gz KVXCFJMCEXFXDV-FYYLOGMGSA-N 0 0 390.870 5.591 50 0 GKAARN O=c1c2cc(OCc3ccc(Cl)cc3Cl)ccc2nc2n1CCCCC2 ZINC000013728706 210084387 /nfs/dbraw/zinc/08/43/87/210084387.db2.gz QTCXBYDCPGMNAG-UHFFFAOYSA-N 0 0 389.282 5.009 50 0 GKAARN c1ccc(-c2nnc3sc(CCn4c5ccccc5c5ccccc54)nn32)cc1 ZINC000013719822 210083076 /nfs/dbraw/zinc/08/30/76/210083076.db2.gz PHDYEZXDHYINDN-UHFFFAOYSA-N 0 0 395.491 5.203 50 0 GKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)cc1 ZINC000013687344 210080350 /nfs/dbraw/zinc/08/03/50/210080350.db2.gz WWBRQQGRMCJFJV-UHFFFAOYSA-N 0 0 388.492 5.053 50 0 GKAARN Clc1ccc(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 ZINC000013659689 210076754 /nfs/dbraw/zinc/07/67/54/210076754.db2.gz FKHZXOIRSUVLMF-UHFFFAOYSA-N 0 0 398.893 6.470 50 0 GKAARN O=C1C[C@H](c2cccc(O)c2)c2c(-c3ccccc3)nn(-c3cccc(F)c3)c2N1 ZINC000013655716 210075916 /nfs/dbraw/zinc/07/59/16/210075916.db2.gz ONPKHBMZVHWNRE-HXUWFJFHSA-N 0 0 399.425 5.508 50 0 GKAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616434 210073018 /nfs/dbraw/zinc/07/30/18/210073018.db2.gz BEZAKURSXPVWON-IFMALSPDSA-N 0 0 378.834 5.721 50 0 GKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616627 210072265 /nfs/dbraw/zinc/07/22/65/210072265.db2.gz ACNOLDSTSIOOBL-XLIONFOSSA-N 0 0 384.863 5.783 50 0 GKAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 ZINC000013618842 210072030 /nfs/dbraw/zinc/07/20/30/210072030.db2.gz FCDIBAMFWMZNJT-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2C)c1 ZINC000013581694 210069051 /nfs/dbraw/zinc/06/90/51/210069051.db2.gz ATPKTOHUCHKWDN-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN CC(=O)c1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000013519848 210064874 /nfs/dbraw/zinc/06/48/74/210064874.db2.gz PLFRNOOMLFOLHF-UHFFFAOYSA-N 0 0 383.698 5.114 50 0 GKAARN CC(C)(C)c1ccc(OCc2nc(Nc3ccccc3Cl)cc(=O)[nH]2)cc1 ZINC000013469809 210062691 /nfs/dbraw/zinc/06/26/91/210062691.db2.gz RKVMQPKSSYXHJR-UHFFFAOYSA-N 0 0 383.879 5.043 50 0 GKAARN CCOc1ccc([C@H](Nc2ccc(C)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000013468388 210063817 /nfs/dbraw/zinc/06/38/17/210063817.db2.gz LYMPIGUWBRSNLO-KVYOAWSJSA-N 0 0 375.405 5.523 50 0 GKAARN C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369016 210058307 /nfs/dbraw/zinc/05/83/07/210058307.db2.gz DALOFGAQYMOQLX-KXBFYZLASA-N 0 0 381.907 5.052 50 0 GKAARN S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)Nc1ccccc1 ZINC000013330825 210057086 /nfs/dbraw/zinc/05/70/86/210057086.db2.gz DIHKHZZSUFIVLN-UHFFFAOYSA-N 0 0 377.300 5.047 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 ZINC000013331268 210056726 /nfs/dbraw/zinc/05/67/26/210056726.db2.gz PRGFHSRQWBSWTB-OAHLLOKOSA-N 0 0 394.494 5.845 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc(-c4ccccc4)co3)c2)cc1 ZINC000013359149 210059583 /nfs/dbraw/zinc/05/95/83/210059583.db2.gz IDKXXHRVXYIQNN-UHFFFAOYSA-N 0 0 390.464 5.118 50 0 GKAARN Cc1ccccc1-c1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)o1 ZINC000013072619 210050072 /nfs/dbraw/zinc/05/00/72/210050072.db2.gz WRRRQBUZOQCTFJ-UHFFFAOYSA-N 0 0 377.872 5.063 50 0 GKAARN CCOc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013057341 210049681 /nfs/dbraw/zinc/04/96/81/210049681.db2.gz NAFMNMOCOSUJCW-LLVKDONJSA-N 0 0 386.801 5.197 50 0 GKAARN CSc1ncccc1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000013020590 210048239 /nfs/dbraw/zinc/04/82/39/210048239.db2.gz ULCXCIZBOCZSGX-UHFFFAOYSA-N 0 0 395.431 5.198 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)o2)cc1C ZINC000012995316 210043667 /nfs/dbraw/zinc/04/36/67/210043667.db2.gz RSAMPAVXTSQSRV-MRXNPFEDSA-N 0 0 382.891 5.422 50 0 GKAARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)cc1 ZINC000013000788 210044000 /nfs/dbraw/zinc/04/40/00/210044000.db2.gz REGDDQCXOKQCMK-GFCCVEGCSA-N 0 0 390.817 5.083 50 0 GKAARN Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NCc3cccnc3)c2c1 ZINC000012951855 210036584 /nfs/dbraw/zinc/03/65/84/210036584.db2.gz OIRMJBSRWYREKT-UHFFFAOYSA-N 0 0 395.506 5.659 50 0 GKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2nc(-c3ccccc3)oc2C)cc1 ZINC000012919495 210030979 /nfs/dbraw/zinc/03/09/79/210030979.db2.gz OZZYKIUYSMFQLE-MRXNPFEDSA-N 0 0 394.496 5.113 50 0 GKAARN Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)ccc1C(C)C ZINC000012919841 210029306 /nfs/dbraw/zinc/02/93/06/210029306.db2.gz FPVQNWDOYRPZCB-UHFFFAOYSA-N 0 0 392.499 5.045 50 0 GKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2ccccc2s1 ZINC000012913671 210028006 /nfs/dbraw/zinc/02/80/06/210028006.db2.gz PVMZGLCYYGNGNO-LBPRGKRZSA-N 0 0 399.566 5.218 50 0 GKAARN COc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3ccc(F)cc3F)o2)cc1 ZINC000012915919 210027760 /nfs/dbraw/zinc/02/77/60/210027760.db2.gz LQXOKXIFHBFHFY-AWEZNQCLSA-N 0 0 385.410 5.043 50 0 GKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1cc(Cl)ccc1F ZINC000012891523 210024579 /nfs/dbraw/zinc/02/45/79/210024579.db2.gz PJKCXTNWCQROQS-UHFFFAOYSA-N 0 0 390.867 5.384 50 0 GKAARN Cc1cc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2C(C)C)nc(C)n1 ZINC000012863976 210020403 /nfs/dbraw/zinc/02/04/03/210020403.db2.gz KNTFXAWBTROCQJ-UHFFFAOYSA-N 0 0 394.331 5.391 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012880694 210021823 /nfs/dbraw/zinc/02/18/23/210021823.db2.gz UKNSQISGUFQQBV-UHFFFAOYSA-N 0 0 396.575 5.170 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1sc(-c2ccsc2)nc1C ZINC000012872969 210021443 /nfs/dbraw/zinc/02/14/43/210021443.db2.gz HNYCFOOGHVRGNC-UHFFFAOYSA-N 0 0 390.961 6.211 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000012855594 210018846 /nfs/dbraw/zinc/01/88/46/210018846.db2.gz QQLWNPJLDZTAMU-UHFFFAOYSA-N 0 0 392.311 5.093 50 0 GKAARN Fc1ccc(-c2cnc(CSc3n[nH]c(C=Cc4ccccc4)n3)o2)cc1 ZINC000012837866 210017139 /nfs/dbraw/zinc/01/71/39/210017139.db2.gz IYNQPSVZQUJLNP-IZZDOVSWSA-N 0 0 378.432 5.062 50 0 GKAARN CCCOc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1OCCC ZINC000012824455 210016824 /nfs/dbraw/zinc/01/68/24/210016824.db2.gz QEFGRZMDQFWWAC-GOSISDBHSA-N 0 0 384.520 5.320 50 0 GKAARN CSc1ccc(Cl)c(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 ZINC000012818865 210014671 /nfs/dbraw/zinc/01/46/71/210014671.db2.gz FSYUSQBIHFRNOV-LBPRGKRZSA-N 0 0 395.981 5.003 50 0 GKAARN COC(=O)CCCCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000012810303 210012826 /nfs/dbraw/zinc/01/28/26/210012826.db2.gz MDORODAZGLAAJH-UHFFFAOYSA-N 0 0 388.316 5.061 50 0 GKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccc(Cl)cc1 ZINC000012806964 210013635 /nfs/dbraw/zinc/01/36/35/210013635.db2.gz GLFIYZBPIKPAKK-GFCCVEGCSA-N 0 0 399.903 5.091 50 0 GKAARN Cc1c(=O)c2cccc(C(=O)N(C)C3CCCCC3)c2oc1-c1ccccc1 ZINC000012811843 210013205 /nfs/dbraw/zinc/01/32/05/210013205.db2.gz UGHHPNIPXQYXRT-UHFFFAOYSA-N 0 0 375.468 5.173 50 0 GKAARN C/C=C/c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1OC ZINC000012780622 210007817 /nfs/dbraw/zinc/00/78/17/210007817.db2.gz RAYVBBRTKXSTCV-MRZGDXHCSA-N 0 0 396.512 5.180 50 0 GKAARN Cc1ccc(-c2nnc(CCC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)o2)cc1 ZINC000012772207 210007450 /nfs/dbraw/zinc/00/74/50/210007450.db2.gz MKNBZKHOPUYQPV-UHFFFAOYSA-N 0 0 395.462 5.188 50 0 GKAARN CC(=O)c1ccc(OCCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 ZINC000012789552 210010141 /nfs/dbraw/zinc/01/01/41/210010141.db2.gz DTPCGKRZOGOUAZ-UHFFFAOYSA-N 0 0 389.451 5.398 50 0 GKAARN O=C(NCCc1c[nH]c2ccccc12)c1ccccc1SCc1ccsc1 ZINC000012790356 210008807 /nfs/dbraw/zinc/00/88/07/210008807.db2.gz OVMGMKRMGMAGIN-UHFFFAOYSA-N 0 0 392.549 5.494 50 0 GKAARN c1csc(-c2nc(CN3CCc4sccc4[C@@H]3c3ccccc3)co2)c1 ZINC000012755111 210001704 /nfs/dbraw/zinc/00/17/04/210001704.db2.gz CULMQGCNCGFQMU-FQEVSTJZSA-N 0 0 378.522 5.612 50 0 GKAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)[C@H](C)c1nccs1 ZINC000012749888 210000367 /nfs/dbraw/zinc/00/03/67/210000367.db2.gz OJIGVYPHHHLYST-LLVKDONJSA-N 0 0 381.423 5.318 50 0 GKAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000012602100 209985683 /nfs/dbraw/zinc/98/56/83/209985683.db2.gz ZZGPJMZZVDSUJZ-INIZCTEOSA-N 0 0 394.327 5.094 50 0 GKAARN CCc1cccc(C)c1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000012549939 209972413 /nfs/dbraw/zinc/97/24/13/209972413.db2.gz IIVBXTLHOPESHM-UHFFFAOYSA-N 0 0 375.497 5.115 50 0 GKAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCCCC2)cc1C ZINC000012437938 209954198 /nfs/dbraw/zinc/95/41/98/209954198.db2.gz VIHRADFARIMXLB-UHFFFAOYSA-N 0 0 394.540 5.065 50 0 GKAARN C[C@@H](Sc1nnc(NC(=O)CCC2CCCCC2)s1)c1ccccc1 ZINC000012401950 209949684 /nfs/dbraw/zinc/94/96/84/209949684.db2.gz XJQGLBTZDJTSCY-CQSZACIVSA-N 0 0 375.563 5.690 50 0 GKAARN CCn1cc(CN2CC[C@H](c3cccc(F)c3)Sc3ccccc32)c(C)n1 ZINC000011913550 209892909 /nfs/dbraw/zinc/89/29/09/209892909.db2.gz UEJNTKDKJHEKKG-OAQYLSRUSA-N 0 0 381.520 5.594 50 0 GKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1C ZINC000011914432 209891844 /nfs/dbraw/zinc/89/18/44/209891844.db2.gz OQBXEMBCFVWWBP-KRWDZBQOSA-N 0 0 386.451 5.518 50 0 GKAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000011914511 209891278 /nfs/dbraw/zinc/89/12/78/209891278.db2.gz QWFHVRYWBXTXLH-CQSZACIVSA-N 0 0 392.455 5.508 50 0 GKAARN CCc1noc(C)c1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1C ZINC000011874361 209890879 /nfs/dbraw/zinc/89/08/79/209890879.db2.gz PALPILGDLFLOQD-DEOSSOPVSA-N 0 0 399.494 5.123 50 0 GKAARN Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O ZINC000011692461 209881354 /nfs/dbraw/zinc/88/13/54/209881354.db2.gz OQJFPMYOCQQQAL-IBGZPJMESA-N 0 0 375.516 5.220 50 0 GKAARN Cc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)o1 ZINC000010951026 209867913 /nfs/dbraw/zinc/86/79/13/209867913.db2.gz QQVLDHDJDQBQLE-QFIPXVFZSA-N 0 0 384.439 5.058 50 0 GKAARN O=C(Nc1ccncc1)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000010892111 209866310 /nfs/dbraw/zinc/86/63/10/209866310.db2.gz KUBJPHDWACVHQY-UHFFFAOYSA-N 0 0 378.428 5.267 50 0 GKAARN Cc1ccccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000010507307 209862309 /nfs/dbraw/zinc/86/23/09/209862309.db2.gz JSDKYLTYSXUQBR-UHFFFAOYSA-N 0 0 376.485 5.301 50 0 GKAARN O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009861917 209848902 /nfs/dbraw/zinc/84/89/02/209848902.db2.gz KEITZTGXPJFEPO-QGZVFWFLSA-N 0 0 391.521 5.397 50 0 GKAARN O=C(NCc1cccn1Cc1ccc(Cl)cc1)Nc1cccc2c1CCCC2 ZINC000009723458 209844488 /nfs/dbraw/zinc/84/44/88/209844488.db2.gz SXCPBMWFJIOBCU-UHFFFAOYSA-N 0 0 393.918 5.390 50 0 GKAARN CCc1ccc(CN(C)C(=O)c2cccc(-c3cn(C(F)F)nc3C)c2)cc1 ZINC000299783422 222789311 /nfs/dbraw/zinc/78/93/11/222789311.db2.gz UNGNPEMWWCHTQC-UHFFFAOYSA-N 0 0 383.442 5.088 50 0 GKAARN COCc1c2ccccc2oc1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000009377234 209826639 /nfs/dbraw/zinc/82/66/39/209826639.db2.gz JCNQFSNJVBTQHK-UHFFFAOYSA-N 0 0 385.463 5.141 50 0 GKAARN CC(=O)N1c2nc(-c3ccc(Cl)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000009250920 209821234 /nfs/dbraw/zinc/82/12/34/209821234.db2.gz LESTZGUVPXOFHI-MOPGFXCFSA-N 0 0 398.938 5.183 50 0 biogenic GKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1ccccc1F ZINC000009265711 209821035 /nfs/dbraw/zinc/82/10/35/209821035.db2.gz DEHHZWAAQLGWQN-UHFFFAOYSA-N 0 0 382.435 5.086 50 0 GKAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000009251048 209820246 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CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000001838886 209341049 /nfs/dbraw/zinc/34/10/49/209341049.db2.gz PUZWNHYYWRSSNU-UHFFFAOYSA-N 0 0 387.439 5.321 50 0 GKAARN CCn1c(=O)c2c(nc1SCCC(C)C)sc1c2CCc2ccccc2-1 ZINC000001827800 209340553 /nfs/dbraw/zinc/34/05/53/209340553.db2.gz ZHIUUEBXMDMSMM-UHFFFAOYSA-N 0 0 384.570 5.382 50 0 GKAARN Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000001785827 209340248 /nfs/dbraw/zinc/34/02/48/209340248.db2.gz NSBBPQOKLHGYFR-VMPITWQZSA-N 0 0 384.508 5.443 50 0 GKAARN Cc1ccc(-c2csc3nc(-c4ccc(C(C)(C)C)cc4)oc(=O)c23)cc1 ZINC000001829463 209340035 /nfs/dbraw/zinc/34/00/35/209340035.db2.gz YFQXJGGFNQHSTM-UHFFFAOYSA-N 0 0 375.493 6.189 50 0 GKAARN Cc1cc2c(cc1C)N(C(=O)c1sc3ccccc3c1Cl)C(C)(C)C[C@H]2C ZINC000001821300 209340052 /nfs/dbraw/zinc/34/00/52/209340052.db2.gz YOWDSBQPFUCUPT-OAHLLOKOSA-N 0 0 397.971 7.104 50 0 GKAARN Clc1ccc(-c2csc3ncnc(Nc4cccc5ccccc54)c23)cc1 ZINC000001790168 209339987 /nfs/dbraw/zinc/33/99/87/209339987.db2.gz 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Cc1cc(C)cc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000001392001 209325633 /nfs/dbraw/zinc/32/56/33/209325633.db2.gz NKJPTMCTAJYUQK-UHFFFAOYSA-N 0 0 393.796 5.414 50 0 GKAARN COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(C)cc2)cc1 ZINC000001389362 209325657 /nfs/dbraw/zinc/32/56/57/209325657.db2.gz MSHNCNCMADMAGG-UHFFFAOYSA-N 0 0 378.859 5.303 50 0 GKAARN O=C(Nc1sccc1OCc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000001396556 209325719 /nfs/dbraw/zinc/32/57/19/209325719.db2.gz UXSXMYPDQIHVPN-UHFFFAOYSA-N 0 0 393.295 6.278 50 0 GKAARN Cn1nc(-c2ccccc2)c(COC(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000001388791 209325248 /nfs/dbraw/zinc/32/52/48/209325248.db2.gz WEQIYRYMWSQGKJ-UHFFFAOYSA-N 0 0 376.243 5.143 50 0 GKAARN O=C(Nc1ccc(Oc2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 ZINC000001384812 209324916 /nfs/dbraw/zinc/32/49/16/209324916.db2.gz WQFCAYQLIQYYJL-UHFFFAOYSA-N 0 0 375.815 5.328 50 0 GKAARN CSc1ccc(CC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000010252327 209324168 /nfs/dbraw/zinc/32/41/68/209324168.db2.gz FBLPJOZBHPGIKI-UHFFFAOYSA-N 0 0 385.539 5.118 50 0 GKAARN O=C(CCCSc1ccc(Cl)cc1)Nc1nc(-c2cccnc2)cs1 ZINC000010218156 209322258 /nfs/dbraw/zinc/32/22/58/209322258.db2.gz VHOXLNZEVJWGMU-UHFFFAOYSA-N 0 0 389.933 5.370 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215078 209321233 /nfs/dbraw/zinc/32/12/33/209321233.db2.gz ILAQOQSBPKBDQK-PZJWPPBQSA-N 0 0 396.899 5.652 50 0 GKAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)cc1C ZINC000010130008 209321070 /nfs/dbraw/zinc/32/10/70/209321070.db2.gz GIFSBKOZMMBPJG-UHFFFAOYSA-N 0 0 385.423 5.398 50 0 GKAARN Cc1cc(-c2cccs2)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 ZINC000001244401 209317209 /nfs/dbraw/zinc/31/72/09/209317209.db2.gz JBNDXFBJRCWIOL-UHFFFAOYSA-N 0 0 399.928 5.821 50 0 GKAARN O=C(Cc1cccs1)N(Cc1ccccn1)c1nc2c(cccc2Cl)s1 ZINC000010060655 209320250 /nfs/dbraw/zinc/32/02/50/209320250.db2.gz RXYXGZGSPPWPEF-UHFFFAOYSA-N 0 0 399.928 5.182 50 0 GKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(C)ccc4C)sc3n2)cc1 ZINC000010069218 209320316 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O=C(Nc1nnc(-c2ccc(F)cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000001245322 209317667 /nfs/dbraw/zinc/31/76/67/209317667.db2.gz HXZZMIBEYYDZSW-UHFFFAOYSA-N 0 0 383.235 5.295 50 0 GKAARN Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1 ZINC000001472123 209330909 /nfs/dbraw/zinc/33/09/09/209330909.db2.gz WQXXNYUBLPIHCO-UHFFFAOYSA-N 0 0 377.444 5.245 50 0 GKAARN O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000001504335 209330752 /nfs/dbraw/zinc/33/07/52/209330752.db2.gz HONCDFWLBCNROE-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN COc1ccc(-n2c(SC)nnc2-c2sc3ccccc3c2Cl)cc1 ZINC000001455641 209329738 /nfs/dbraw/zinc/32/97/38/209329738.db2.gz FYUBRQDKNMTCEX-UHFFFAOYSA-N 0 0 387.917 5.533 50 0 GKAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cl)c(Cl)c1 ZINC000001453223 209329843 /nfs/dbraw/zinc/32/98/43/209329843.db2.gz WOODCRKCGFPNNJ-UHFFFAOYSA-N 0 0 381.259 5.432 50 0 GKAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)C1 ZINC000001459812 209329622 /nfs/dbraw/zinc/32/96/22/209329622.db2.gz 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Cc1ccccc1-c1nc2scc(-c3ccc(-c4ccccc4)cc3)c2c(=O)o1 ZINC000002060393 212262801 /nfs/dbraw/zinc/26/28/01/212262801.db2.gz HODKVDHVTINZPQ-UHFFFAOYSA-N 0 0 395.483 6.559 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)c1cccc2c(Br)cccc12 ZINC000002052442 212262426 /nfs/dbraw/zinc/26/24/26/212262426.db2.gz NMCSOVRDGBHNNN-CQSZACIVSA-N 0 0 382.301 6.368 50 0 GKAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1cccc(Br)c1 ZINC000001950392 212260611 /nfs/dbraw/zinc/26/06/11/212260611.db2.gz HPWQVHPMBLCMFP-MDWZMJQESA-N 0 0 397.055 5.100 50 0 GKAARN CCCOc1ccc(-c2csc3ncn(Cc4cccc(C)c4)c(=O)c23)cc1 ZINC000001911973 212260675 /nfs/dbraw/zinc/26/06/75/212260675.db2.gz REBGFXAWGOSJQO-UHFFFAOYSA-N 0 0 390.508 5.271 50 0 GKAARN COc1ccc(-c2csc(NC(=O)CCCOc3ccc(C)cc3C)n2)cc1 ZINC000001914057 212260297 /nfs/dbraw/zinc/26/02/97/212260297.db2.gz RPLCXGKYANIZLE-UHFFFAOYSA-N 0 0 396.512 5.233 50 0 GKAARN Brc1ccc2oc(-c3ccccc3)c/c(=N\Cc3ccccc3)c2c1 ZINC000001916643 212259668 /nfs/dbraw/zinc/25/96/68/212259668.db2.gz 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/nfs/dbraw/zinc/25/74/66/212257466.db2.gz IMUJXPLMHVFOKO-UHFFFAOYSA-N 0 0 379.572 5.987 50 0 GKAARN CCc1ccc(OCCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001773468 212256312 /nfs/dbraw/zinc/25/63/12/212256312.db2.gz UTGDSZMJFSVKDY-UHFFFAOYSA-N 0 0 385.813 5.719 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000001766986 212256390 /nfs/dbraw/zinc/25/63/90/212256390.db2.gz ANXUJICPEIVTRW-UHFFFAOYSA-N 0 0 387.439 5.321 50 0 GKAARN CCC(CC)C(=O)N1c2cc(C)c(C)cc2-c2c(=S)ssc2C1(C)C ZINC000001749318 212256251 /nfs/dbraw/zinc/25/62/51/212256251.db2.gz VDJPZCXHXPMKHN-UHFFFAOYSA-N 0 0 391.627 6.841 50 0 GKAARN CC(C)OC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000001778610 212255900 /nfs/dbraw/zinc/25/59/00/212255900.db2.gz CBMMYFGIZXZEMQ-LLVKDONJSA-N 0 0 392.933 5.444 50 0 GKAARN COC(=O)c1ccc(OCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)c(N)c1 ZINC000001761833 212255554 /nfs/dbraw/zinc/25/55/54/212255554.db2.gz QRTHBJHZMKOEGQ-UHFFFAOYSA-N 0 0 399.531 5.227 50 0 GKAARN COc1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000001773021 212255570 /nfs/dbraw/zinc/25/55/70/212255570.db2.gz ZBIJVORUHGOPOY-UHFFFAOYSA-N 0 0 396.277 6.356 50 0 GKAARN Cn1c(SC/C=C/c2ccccc2)nnc1-c1sc2ccccc2c1Cl ZINC000001747947 212255417 /nfs/dbraw/zinc/25/54/17/212255417.db2.gz RFGKBISWJNRSCV-JXMROGBWSA-N 0 0 397.956 6.156 50 0 GKAARN Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)Nc1ccccc1 ZINC000001636434 212251917 /nfs/dbraw/zinc/25/19/17/212251917.db2.gz PTGGRWFHHILYEO-UHFFFAOYSA-N 0 0 378.284 5.754 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)c(C)c1 ZINC000001510112 212249383 /nfs/dbraw/zinc/24/93/83/212249383.db2.gz XEEFWCGLPGOWHY-UHFFFAOYSA-N 0 0 387.302 5.442 50 0 GKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1cc(F)c(F)c(F)c1F ZINC000001514573 212249005 /nfs/dbraw/zinc/24/90/05/212249005.db2.gz DAMRDJYUUKGCKA-UHFFFAOYSA-N 0 0 376.334 5.258 50 0 GKAARN CCOc1cccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)c1 ZINC000001467865 212247964 /nfs/dbraw/zinc/24/79/64/212247964.db2.gz ZDFORODGXUONJP-KRWDZBQOSA-N 0 0 396.284 5.475 50 0 GKAARN Cc1cc(Cl)ccc1OCc1nnc(-c2ccc(Br)cc2)o1 ZINC000001479714 212247728 /nfs/dbraw/zinc/24/77/28/212247728.db2.gz YTWHDNPBAMGZEJ-UHFFFAOYSA-N 0 0 379.641 5.040 50 0 GKAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2cccnc2)c1 ZINC000001455557 212246765 /nfs/dbraw/zinc/24/67/65/212246765.db2.gz ZSBLTRAVNLUDRM-UHFFFAOYSA-N 0 0 391.478 5.403 50 0 GKAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC[C@H](C)C2)c1 ZINC000001455560 212246344 /nfs/dbraw/zinc/24/63/44/212246344.db2.gz STOIYSFNYFQXNA-IBGZPJMESA-N 0 0 382.511 5.632 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000253497905 209221212 /nfs/dbraw/zinc/22/12/12/209221212.db2.gz ZGDZDAPCWHIIKB-WLFQKJICSA-N 0 0 394.555 5.824 50 0 biogenic GKAARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)/C(=C/c5ccccc5)C[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000253497667 209220931 /nfs/dbraw/zinc/22/09/31/209220931.db2.gz CGFWQQQWRBBZTJ-SMSIIPMXSA-N 0 0 394.599 5.835 50 0 GKAARN 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OHZOPKNJWGNBNE-UHFFFAOYSA-N 0 0 381.678 5.845 50 0 GKAARN CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 ZINC000000675331 212171869 /nfs/dbraw/zinc/17/18/69/212171869.db2.gz KXLFGIONGNMZFK-UHFFFAOYSA-N 0 0 376.294 5.398 50 0 GKAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000000668730 212171319 /nfs/dbraw/zinc/17/13/19/212171319.db2.gz TUMWASHMMHCVBN-CQSZACIVSA-N 0 0 384.932 6.021 50 0 GKAARN C[C@H](NC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N)c1ccccc1 ZINC000000661690 212170908 /nfs/dbraw/zinc/17/09/08/212170908.db2.gz SKAXHTYRLVVOMD-ZDUSSCGKSA-N 0 0 391.471 5.176 50 0 GKAARN O=C(NCCc1cccc(Cl)c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000668799 212170715 /nfs/dbraw/zinc/17/07/15/212170715.db2.gz YXMDQGDCWCECET-OAQYLSRUSA-N 0 0 381.928 5.532 50 0 GKAARN O=C(NCc1ccc(Cl)c(Cl)c1)C1c2ccccc2Oc2ccccc21 ZINC000000657472 212170412 /nfs/dbraw/zinc/17/04/12/212170412.db2.gz UPDYSUWVQAOKGX-UHFFFAOYSA-N 0 0 384.262 5.547 50 0 GKAARN COC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccc(Cl)cc1 ZINC000000662968 212170485 /nfs/dbraw/zinc/17/04/85/212170485.db2.gz MGMUQGCPXKLJQJ-UHFFFAOYSA-N 0 0 391.901 5.477 50 0 GKAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000000705300 212175710 /nfs/dbraw/zinc/17/57/10/212175710.db2.gz QKGXLFDIBGVCLH-UHFFFAOYSA-N 0 0 384.218 5.586 50 0 GKAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000000677513 212173651 /nfs/dbraw/zinc/17/36/51/212173651.db2.gz WAKRKCWAIUEUIH-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000000677604 212173603 /nfs/dbraw/zinc/17/36/03/212173603.db2.gz MRQKQWDTKLJPHH-UHFFFAOYSA-N 0 0 383.407 5.505 50 0 GKAARN Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(Br)cc1Cl ZINC000000676507 212172609 /nfs/dbraw/zinc/17/26/09/212172609.db2.gz QQJRTHLWJLVTEZ-UHFFFAOYSA-N 0 0 390.060 5.049 50 0 GKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1sc2ccccc2c1Cl ZINC000000636705 212167231 /nfs/dbraw/zinc/16/72/31/212167231.db2.gz MFQRRUXFDGDWBE-UHFFFAOYSA-N 0 0 384.913 5.854 50 0 GKAARN COc1ccc(NC(=S)Nc2ccc(SCc3ccc(F)cc3)cc2)cc1 ZINC000000636467 212167159 /nfs/dbraw/zinc/16/71/59/212167159.db2.gz CEYAYMLGPATRGK-UHFFFAOYSA-N 0 0 398.528 5.936 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cc(C(=O)c2ccccc2)c2cc(C)ccn12 ZINC000000633210 212166556 /nfs/dbraw/zinc/16/65/56/212166556.db2.gz UZVDUEWSMXETDP-UHFFFAOYSA-N 0 0 396.490 5.602 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc(-c3ccccc3)cc2)n2ccc(C)cc12 ZINC000000626867 212166074 /nfs/dbraw/zinc/16/60/74/212166074.db2.gz GCULIHARWYBTLP-UHFFFAOYSA-N 0 0 383.447 5.322 50 0 GKAARN O=C(Nc1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000000625338 212166097 /nfs/dbraw/zinc/16/60/97/212166097.db2.gz UHPHWWWBVBGYGK-UHFFFAOYSA-N 0 0 394.883 5.781 50 0 GKAARN O=C(NCc1ccc(F)cc1)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000000649459 212169511 /nfs/dbraw/zinc/16/95/11/212169511.db2.gz RRTDWFSOXMFKFA-UHFFFAOYSA-N 0 0 385.438 5.488 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)s1 ZINC000000651170 212169562 /nfs/dbraw/zinc/16/95/62/212169562.db2.gz YBUJKSMIHORHDX-UHFFFAOYSA-N 0 0 376.456 5.917 50 0 GKAARN O=C(Nc1ccc2c(c1)OCCO2)c1sc2cc(Cl)ccc2c1Cl ZINC000000651924 212169275 /nfs/dbraw/zinc/16/92/75/212169275.db2.gz PIZRBZTUBIMTHJ-UHFFFAOYSA-N 0 0 380.252 5.232 50 0 GKAARN C(=C/c1ccccc1)\c1nc2cc3nc(/C=C\c4ccccc4)sc3cc2s1 ZINC000034870922 212168587 /nfs/dbraw/zinc/16/85/87/212168587.db2.gz XPTQSFZQLPZVKQ-HEEUSZRZSA-N 0 0 396.540 7.247 50 0 GKAARN Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000000643055 212168168 /nfs/dbraw/zinc/16/81/68/212168168.db2.gz LEZWWPYKPKIXLL-SFHVURJKSA-N 0 0 381.690 5.801 50 0 aggregator,fda GKAARN Cc1ccc(C)c(NC(=O)Oc2ccc(Br)cc2Br)c1 ZINC000000640823 212167861 /nfs/dbraw/zinc/16/78/61/212167861.db2.gz YLEPHIHCDGAQIR-UHFFFAOYSA-N 0 0 399.082 5.439 50 0 GKAARN C[C@H](Oc1ccccc1)c1nn2c(nnc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000000632760 212167547 /nfs/dbraw/zinc/16/75/47/212167547.db2.gz KIZFJNMRRNGJEB-NSHDSACASA-N 0 0 390.390 5.012 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000634765 212167552 /nfs/dbraw/zinc/16/75/52/212167552.db2.gz GKGNVKJXAMXTJY-UHFFFAOYSA-N 0 0 383.181 5.487 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2cccc3ccccc32)n2ccc3ccccc3c12 ZINC000000633170 212167569 /nfs/dbraw/zinc/16/75/69/212167569.db2.gz WDSCVFYHMHCMRJ-UHFFFAOYSA-N 0 0 393.442 5.653 50 0 GKAARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc2c(c1)OCO2 ZINC000009175741 212163658 /nfs/dbraw/zinc/16/36/58/212163658.db2.gz JLZLSLNNMWIHAD-UHFFFAOYSA-N 0 0 399.280 5.159 50 0 GKAARN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1/C=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000096662875 212156162 /nfs/dbraw/zinc/15/61/62/212156162.db2.gz CPYJOFWOBBENJI-LICLKQGHSA-N 0 0 398.293 5.597 50 0 GKAARN CCOc1cc(C=C(Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1OC ZINC000096792849 212155913 /nfs/dbraw/zinc/15/59/13/212155913.db2.gz SSVRQVBMYVPGFU-RIYZIHGNSA-N 0 0 391.254 5.133 50 0 GKAARN CCOc1cc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc(Cl)c1OC ZINC000096920092 212155408 /nfs/dbraw/zinc/15/54/08/212155408.db2.gz GLHRBYKXEHAQPU-NTUHNPAUSA-N 0 0 397.283 5.596 50 0 GKAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)C(C)C)cc43)oc21 ZINC000004586187 212146502 /nfs/dbraw/zinc/14/65/02/212146502.db2.gz JMHAFGCQRWDVMA-UHFFFAOYSA-N 0 0 392.407 5.085 50 0 biogenic GKAARN CCc1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc32)cc1 ZINC000015880458 212150104 /nfs/dbraw/zinc/15/01/04/212150104.db2.gz YIQOGXYROMAANW-UHFFFAOYSA-N 0 0 385.463 6.135 50 0 GKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1c(C)cccc1C ZINC000011866471 212149699 /nfs/dbraw/zinc/14/96/99/212149699.db2.gz UAKQGFIAVKDEPG-UHFFFAOYSA-N 0 0 385.463 6.189 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3c(C)cccc3C)c2c1 ZINC000011866474 212149502 /nfs/dbraw/zinc/14/95/02/212149502.db2.gz SOERTPGKMOUMGT-UHFFFAOYSA-N 0 0 385.463 6.368 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccccc3CC)c2c1 ZINC000015880453 212149321 /nfs/dbraw/zinc/14/93/21/212149321.db2.gz FHKCGKUFVHDTFK-UHFFFAOYSA-N 0 0 385.463 6.313 50 0 GKAARN Cc1noc(-c2ccc(OCc3ccc(F)cc3)cc2O)c1-c1ccccc1 ZINC000005482867 212147472 /nfs/dbraw/zinc/14/74/72/212147472.db2.gz OSWWRDVOALOZEY-UHFFFAOYSA-N 0 0 375.399 5.741 50 0 GKAARN COc1ccc(-c2c(C)oc3cc(Nc4cccc(OC)c4)ccc3c2=O)cc1 ZINC000006673051 212147321 /nfs/dbraw/zinc/14/73/21/212147321.db2.gz CIMZYMYHUDQOBD-UHFFFAOYSA-N 0 0 387.435 5.529 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1 ZINC000009660131 212147347 /nfs/dbraw/zinc/14/73/47/212147347.db2.gz WXGHXOXEAASSHU-UHFFFAOYSA-N 0 0 397.474 6.144 50 0 GKAARN COc1ccc(-c2c(C)c3cc(OCc4ccccc4F)ccc3oc2=O)cc1 ZINC000004340806 212146030 /nfs/dbraw/zinc/14/60/30/212146030.db2.gz HXCNJIAUBCMYKL-UHFFFAOYSA-N 0 0 390.410 5.495 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccccc1 ZINC000001133389 212145042 /nfs/dbraw/zinc/14/50/42/212145042.db2.gz YRNZRXCWBOAHNB-NRFANRHFSA-N 0 0 377.484 5.249 50 0 biogenic GKAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3N=C(c3ccc(C)cc3)C[C@H]21 ZINC000001204138 212144757 /nfs/dbraw/zinc/14/47/57/212144757.db2.gz CFQPOWRJAPPJEW-OAQYLSRUSA-N 0 0 398.462 5.238 50 0 biogenic GKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000002101634 212144031 /nfs/dbraw/zinc/14/40/31/212144031.db2.gz MQLLBXWBAZPVNC-UHFFFAOYSA-N 0 0 386.447 5.664 50 0 GKAARN COc1ccc2c(c1)oc(=O)cc2-c1oc2c(cc(Cl)cc2Cl)c1C ZINC000001448199 212144124 /nfs/dbraw/zinc/14/41/24/212144124.db2.gz FLGMMRSLJMXWFQ-UHFFFAOYSA-N 0 0 375.207 5.830 50 0 biogenic GKAARN COc1ccc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1 ZINC000000622190 212143451 /nfs/dbraw/zinc/14/34/51/212143451.db2.gz QVQZWPVERHIVNL-UHFFFAOYSA-N 0 0 386.447 5.280 50 0 biogenic GKAARN COc1ccc(Oc2coc3cc(OCCc4ccccc4)ccc3c2=O)cc1 ZINC000000706957 212142066 /nfs/dbraw/zinc/14/20/66/212142066.db2.gz LMHVDFZCLNSEIQ-UHFFFAOYSA-N 0 0 388.419 5.215 50 0 biogenic GKAARN CCCc1cc2c(cc1OC)oc(C)c(-c1ccc3c(c1)OCCO3)c2=S ZINC000000630494 212142128 /nfs/dbraw/zinc/14/21/28/212142128.db2.gz IXVNCDCOMZPCTK-UHFFFAOYSA-N 0 0 382.481 5.870 50 0 biogenic GKAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)C(C)(C)C)ccc2c1=O ZINC000001125569 212142165 /nfs/dbraw/zinc/14/21/65/212142165.db2.gz VOVLFDJABRYLKT-UHFFFAOYSA-N 0 0 396.439 5.244 50 0 biogenic GKAARN CC(C)c1nc2cc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)ccc2[nH]1 ZINC000263587507 212140986 /nfs/dbraw/zinc/14/09/86/212140986.db2.gz HOXWWVDWHLIJSP-IBGZPJMESA-N 0 0 378.501 5.168 50 0 GKAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc(-c2cccs2)cs1 ZINC000263587377 212141255 /nfs/dbraw/zinc/14/12/55/212141255.db2.gz GGAPMUWDKWYKNW-HNNXBMFYSA-N 0 0 385.539 5.353 50 0 GKAARN CN(C)c1ccc(Oc2ccc3c(c2)CC[C@H]2[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)cc1 ZINC000248077242 212133987 /nfs/dbraw/zinc/13/39/87/212133987.db2.gz ULYOBMCBSNBRSQ-GWZVJQKXSA-N 0 0 389.539 5.970 50 0 GKAARN CCSc1ccccc1NC(=O)c1oc2ccc(Br)cc2c1C ZINC000334162308 212108153 /nfs/dbraw/zinc/10/81/53/212108153.db2.gz MALQNSCIRXSBMJ-UHFFFAOYSA-N 0 0 390.302 5.868 50 0 GKAARN OC1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000002172742 212101828 /nfs/dbraw/zinc/10/18/28/212101828.db2.gz NUKYUTMEABHFPN-UHFFFAOYSA-N 0 0 386.494 6.583 50 0 GKAARN CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC ZINC000003860432 212102949 /nfs/dbraw/zinc/10/29/49/212102949.db2.gz BJQHLKABXJIVAM-BGYRXZFFSA-N 0 0 390.564 6.433 50 0 biogenic,in-vitro GKAARN CSc1ccc(NC(=O)Oc2ccc3cc(Br)ccc3c2)cc1 ZINC000000641115 212100508 /nfs/dbraw/zinc/10/05/08/212100508.db2.gz ZOLLNEZLXVLSFB-UHFFFAOYSA-N 0 0 388.286 5.935 50 0 GKAARN COc1ccc(C)cc1NC(=O)Oc1c(C)cc(Cl)cc1Br ZINC000000640844 212100267 /nfs/dbraw/zinc/10/02/67/212100267.db2.gz HQFFUOZBJJAQRA-UHFFFAOYSA-N 0 0 384.657 5.339 50 0 GKAARN O=S(=O)(Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1 ZINC000328591253 212083006 /nfs/dbraw/zinc/08/30/06/212083006.db2.gz LCAYKDKNSJGIPK-UHFFFAOYSA-N 0 0 384.309 5.091 50 0 GKAARN O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1c(Cl)cccc1Cl ZINC000004541814 212080284 /nfs/dbraw/zinc/08/02/84/212080284.db2.gz FWPGNKNYOSCFPM-UHFFFAOYSA-N 0 0 394.685 6.478 50 0 GKAARN Cc1ccc(NC(=O)CCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000004542701 212079435 /nfs/dbraw/zinc/07/94/35/212079435.db2.gz BJHAOEKFVJUUHV-UHFFFAOYSA-N 0 0 398.300 5.897 50 0 GKAARN Cc1ccc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1Cl ZINC000004543208 212079219 /nfs/dbraw/zinc/07/92/19/212079219.db2.gz FCNHVPDZSYCFBQ-UHFFFAOYSA-N 0 0 387.951 6.380 50 0 GKAARN O=c1nc2n(c3sc4c(c31)CCCC4)Cc1ccccc1/C2=C\c1ccccc1 ZINC000032669829 212077075 /nfs/dbraw/zinc/07/70/75/212077075.db2.gz IDSVKYCUNBWHES-XSFVSMFZSA-N 0 0 396.515 5.287 50 0 GKAARN C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 ZINC000008783578 212076339 /nfs/dbraw/zinc/07/63/39/212076339.db2.gz YHEHTYHJCUTGGM-MRXNPFEDSA-N 0 0 384.907 5.040 50 0 GKAARN C[C@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)c1cccs1 ZINC000003765587 212063406 /nfs/dbraw/zinc/06/34/06/212063406.db2.gz HUYQIUVFSLUYKO-GOSISDBHSA-N 0 0 388.536 5.502 50 0 GKAARN CCc1ccc(N[C@@H](CC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000003170713 212063824 /nfs/dbraw/zinc/06/38/24/212063824.db2.gz FLJZLNKBAHGBNX-DEOSSOPVSA-N 0 0 389.495 5.692 50 0 GKAARN Cc1ccc(-c2csc(-n3nc(-c4ccco4)cc3C(F)(F)F)n2)cc1 ZINC000001415821 212060454 /nfs/dbraw/zinc/06/04/54/212060454.db2.gz 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O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000004064155 204025634 /nfs/dbraw/zinc/02/56/34/204025634.db2.gz ANYIVWOZYCYISF-UHFFFAOYSA-N 0 0 394.474 5.504 50 0 GKAARN CCCOc1ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000004051266 204025757 /nfs/dbraw/zinc/02/57/57/204025757.db2.gz LWQDSVKHRUMCNM-UHFFFAOYSA-N 0 0 378.350 5.123 50 0 GKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc2ccccc21 ZINC000004086645 204026545 /nfs/dbraw/zinc/02/65/45/204026545.db2.gz PEFPZNWCYIODNH-UHFFFAOYSA-N 0 0 377.494 5.236 50 0 GKAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCc1ccc(Cl)cc1 ZINC000004092035 204026959 /nfs/dbraw/zinc/02/69/59/204026959.db2.gz YULBFGJSMYNBFX-XNTDXEJSSA-N 0 0 377.871 5.249 50 0 GKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(Cl)cc1 ZINC000004109520 204027293 /nfs/dbraw/zinc/02/72/93/204027293.db2.gz LVPZLXFXQMRAQG-UHFFFAOYSA-N 0 0 398.702 5.341 50 0 GKAARN CC(C)(C)c1cccc(Oc2nnnn2Cc2ccc(Cl)c(Cl)c2)c1 ZINC000004110184 204027367 /nfs/dbraw/zinc/02/73/67/204027367.db2.gz NTWQTEGEGZPMOY-UHFFFAOYSA-N 0 0 377.275 5.118 50 0 GKAARN O=C1CN=C(c2ccccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1 ZINC000004110017 204027885 /nfs/dbraw/zinc/02/78/85/204027885.db2.gz JYDPUDDUKGREJG-UHFFFAOYSA-N 0 0 394.396 5.090 50 0 GKAARN C[C@@]12CC[C@H]3[C@]1(C)C[C@]32C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004135358 204028744 /nfs/dbraw/zinc/02/87/44/204028744.db2.gz NOUAHAVQAIHVSW-XSEFMFLKSA-N 0 0 379.887 5.336 50 0 GKAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000004144430 204029522 /nfs/dbraw/zinc/02/95/22/204029522.db2.gz MZLBNIFGEMLRHI-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN Cc1ccccc1-n1c(SCc2cc(F)ccc2F)nnc1-c1ccco1 ZINC000004145422 204029566 /nfs/dbraw/zinc/02/95/66/204029566.db2.gz YSNLNSUTJWVNNW-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN CC(C)(C)CC(C)(C)Nc1c(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cn21 ZINC000004158096 204030059 /nfs/dbraw/zinc/03/00/59/204030059.db2.gz AQCPFVRYFWIUCU-UHFFFAOYSA-N 0 0 399.922 6.010 50 0 GKAARN C[C@H](c1ccccc1)n1c(CO)cnc1SCc1ccc(C(C)(C)C)cc1 ZINC000004155860 204030112 /nfs/dbraw/zinc/03/01/12/204030112.db2.gz VUDXAIDEBIGMGG-QGZVFWFLSA-N 0 0 380.557 5.575 50 0 GKAARN O=C(CCSc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000004174025 204030176 /nfs/dbraw/zinc/03/01/76/204030176.db2.gz PWGSPQLTEUDYLD-UHFFFAOYSA-N 0 0 390.533 6.084 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000004176557 204030672 /nfs/dbraw/zinc/03/06/72/204030672.db2.gz HJLZSUUAOKLQAC-UHFFFAOYSA-N 0 0 398.702 6.414 50 0 GKAARN CCC[C@H](Sc1nnc(-c2cccc(C)c2)n1-c1ccccc1)C(=O)OCC ZINC000004209048 204032393 /nfs/dbraw/zinc/03/23/93/204032393.db2.gz XVSQAKHVZCSHCT-IBGZPJMESA-N 0 0 395.528 5.067 50 0 GKAARN CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(OCC)c1OCC ZINC000004196043 204032610 /nfs/dbraw/zinc/03/26/10/204032610.db2.gz DTSFVXGTTOYTNI-UHFFFAOYSA-N 0 0 397.393 5.154 50 0 GKAARN CC[C@H](C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccccc1 ZINC000004224429 204032930 /nfs/dbraw/zinc/03/29/30/204032930.db2.gz FSGFIPXGYKHTDK-KRWDZBQOSA-N 0 0 397.931 5.405 50 0 GKAARN CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccc(Cl)cc1 ZINC000004284131 204035587 /nfs/dbraw/zinc/03/55/87/204035587.db2.gz CJURSMQSYUFOEK-UHFFFAOYSA-N 0 0 392.336 6.178 50 0 GKAARN Oc1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000004695856 204064967 /nfs/dbraw/zinc/06/49/67/204064967.db2.gz GWMMEBXALYYZCP-UHFFFAOYSA-N 0 0 388.470 6.579 50 0 GKAARN CCCC[C@H](CC)CNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004699457 204065162 /nfs/dbraw/zinc/06/51/62/204065162.db2.gz GUKIDEMJZHNOBO-FQEVSTJZSA-N 0 0 380.532 5.464 50 0 GKAARN Cc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000004698802 204065921 /nfs/dbraw/zinc/06/59/21/204065921.db2.gz CAEBPNYSBHAHJQ-UHFFFAOYSA-N 0 0 381.284 5.556 50 0 GKAARN CCCC[C@H](CC)CNC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 ZINC000004702629 204066605 /nfs/dbraw/zinc/06/66/05/204066605.db2.gz OQOMOXJYDQOOBW-SFHVURJKSA-N 0 0 378.516 6.215 50 0 GKAARN COc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1C)oc1ccccc12 ZINC000004704985 204066840 /nfs/dbraw/zinc/06/68/40/204066840.db2.gz HXYSHRJSYCQUOZ-UHFFFAOYSA-N 0 0 395.842 5.574 50 0 GKAARN O=C(CSc1c2c(nc3ccccc31)CCC2)Nc1ccc(F)cc1Cl ZINC000004923709 204091825 /nfs/dbraw/zinc/09/18/25/204091825.db2.gz ZRVJIWLYPAIVMA-UHFFFAOYSA-N 0 0 386.879 5.247 50 0 GKAARN O=C(Nc1cccc(/C=C/c2ccncc2)c1)C(c1ccccc1)c1ccccc1 ZINC000004710171 204067449 /nfs/dbraw/zinc/06/74/49/204067449.db2.gz DGTKNVPPPSPCDO-CCEZHUSRSA-N 0 0 390.486 6.023 50 0 GKAARN COc1ccc(NC(=S)N2CCC(CCc3cc(F)cc(F)c3)CC2)cc1 ZINC000004710323 204067841 /nfs/dbraw/zinc/06/78/41/204067841.db2.gz SZWKSNGGYNAHAC-UHFFFAOYSA-N 0 0 390.499 5.015 50 0 GKAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000004724567 204069545 /nfs/dbraw/zinc/06/95/45/204069545.db2.gz SDJGGJMVXAUFIJ-KAMYIIQDSA-N 0 0 391.902 5.218 50 0 GKAARN O=C1c2ccccc2C(=O)N1c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000004728718 204069623 /nfs/dbraw/zinc/06/96/23/204069623.db2.gz LXXNQRHFFRVLBN-UHFFFAOYSA-N 0 0 399.449 5.474 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N ZINC000004727111 204069772 /nfs/dbraw/zinc/06/97/72/204069772.db2.gz RYPZZPNDDFNOND-UHFFFAOYSA-N 0 0 380.300 5.363 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cc(C)ccn32)cc1 ZINC000004735111 204070296 /nfs/dbraw/zinc/07/02/96/204070296.db2.gz KFIWDNOWXRWWBU-UHFFFAOYSA-N 0 0 398.510 5.198 50 0 GKAARN Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004733661 204070633 /nfs/dbraw/zinc/07/06/33/204070633.db2.gz URMJURGYWHILJD-UHFFFAOYSA-N 0 0 377.469 5.194 50 0 GKAARN C/C(=C\c1ccccc1)c1nc2ccc(Cl)cn2c1Nc1ccc(Cl)cc1 ZINC000004733533 204071207 /nfs/dbraw/zinc/07/12/07/204071207.db2.gz CKBMXNLOOXQVEJ-FYWRMAATSA-N 0 0 394.305 6.945 50 0 GKAARN CC(C)(C)c1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000004740842 204071787 /nfs/dbraw/zinc/07/17/87/204071787.db2.gz NGEIEELSMPYAOS-UHFFFAOYSA-N 0 0 392.362 5.868 50 0 GKAARN CCOc1cccc2c1NC(C)(C)c1sn(-c3ccc(C)cc3C)c(=S)c1-2 ZINC000004740150 204072616 /nfs/dbraw/zinc/07/26/16/204072616.db2.gz AYPBVOGFPYIPCU-UHFFFAOYSA-N 0 0 396.581 6.611 50 0 GKAARN Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4cccc(C(F)(F)F)c4)nc3C2)cc1 ZINC000004747358 204073114 /nfs/dbraw/zinc/07/31/14/204073114.db2.gz CIPNLJADONFTHA-HNNXBMFYSA-N 0 0 397.400 5.460 50 0 GKAARN CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(Cl)cc4)o3)c(=O)oc2c1 ZINC000004754822 204073683 /nfs/dbraw/zinc/07/36/83/204073683.db2.gz GUQCXAWUPHTUID-UHFFFAOYSA-N 0 0 395.846 5.010 50 0 GKAARN Clc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004921922 204091987 /nfs/dbraw/zinc/09/19/87/204091987.db2.gz ZOAAVZPFPRTLCG-UHFFFAOYSA-N 0 0 398.249 5.780 50 0 GKAARN CCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000004767995 204074117 /nfs/dbraw/zinc/07/41/17/204074117.db2.gz ODZWOWPOYCETCW-FQEVSTJZSA-N 0 0 395.890 5.322 50 0 GKAARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000004785153 204075488 /nfs/dbraw/zinc/07/54/88/204075488.db2.gz ORCPRXTWJDDNHP-FOCLMDBBSA-N 0 0 377.447 5.346 50 0 GKAARN O=C(Nc1ccc(C(=O)OCC23CC4CC(CC(C4)C2)C3)cc1)C1CCCC1 ZINC000004779440 204076185 /nfs/dbraw/zinc/07/61/85/204076185.db2.gz WNWGWPLLABOHKT-UHFFFAOYSA-N 0 0 381.516 5.189 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccncc2)cc1Cl ZINC000004811034 204076700 /nfs/dbraw/zinc/07/67/00/204076700.db2.gz YBEGNPQBYFDFDQ-UHFFFAOYSA-N 0 0 392.915 5.583 50 0 GKAARN O=C(/C=C/c1ccccc1)n1c2ccccc2nc1SC/C=C/c1ccccc1 ZINC000004813198 204078317 /nfs/dbraw/zinc/07/83/17/204078317.db2.gz UGBJFXIWJPMXCH-CFYUHYMKSA-N 0 0 396.515 6.195 50 0 GKAARN CC(C)CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000004816656 204078414 /nfs/dbraw/zinc/07/84/14/204078414.db2.gz KMYNLSGYVDTQBO-VQTJNVASSA-N 0 0 394.906 5.045 50 0 GKAARN CC(C)CC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004815092 204078450 /nfs/dbraw/zinc/07/84/50/204078450.db2.gz BNWGZHAEWYMCSV-VQTJNVASSA-N 0 0 394.906 5.045 50 0 GKAARN Cc1cccc(C2=N/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)c1 ZINC000004812705 204078575 /nfs/dbraw/zinc/07/85/75/204078575.db2.gz XRJOZYKNBSJGSL-PDGQHHTCSA-N 0 0 397.352 5.618 50 0 GKAARN FC(F)(F)c1nc(Nc2cccc(Cl)c2Cl)sc1-c1ccccc1 ZINC000004832539 204079153 /nfs/dbraw/zinc/07/91/53/204079153.db2.gz QHXJAPVNWGCFIM-UHFFFAOYSA-N 0 0 389.229 6.879 50 0 GKAARN Cc1cccc(C(=O)N[C@H](Nc2ccccc2Cl)C(Cl)(Cl)Cl)c1 ZINC000004831793 204079423 /nfs/dbraw/zinc/07/94/23/204079423.db2.gz INMIBKOYRICQAN-HNNXBMFYSA-N 0 0 392.113 5.187 50 0 GKAARN CCc1cc(=O)oc2cc(OCc3cccc(Br)c3)c(Cl)cc12 ZINC000004833554 204080591 /nfs/dbraw/zinc/08/05/91/204080591.db2.gz NZJQGOUDIVPZAQ-UHFFFAOYSA-N 0 0 393.664 5.350 50 0 GKAARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(C(C)C)cc1)O2 ZINC000004857455 204083096 /nfs/dbraw/zinc/08/30/96/204083096.db2.gz AKWROQDNNUAPQC-AHWVRZQESA-N 0 0 398.506 6.061 50 0 GKAARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(C(C)C)cc1)O2 ZINC000004857452 204083247 /nfs/dbraw/zinc/08/32/47/204083247.db2.gz AKWROQDNNUAPQC-AZGAKELHSA-N 0 0 398.506 6.061 50 0 GKAARN Cc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004863802 204083443 /nfs/dbraw/zinc/08/34/43/204083443.db2.gz RUYDECFBATXHLP-DEOSSOPVSA-N 0 0 381.454 6.112 50 0 GKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc2c1OCO2 ZINC000004870570 204084585 /nfs/dbraw/zinc/08/45/85/204084585.db2.gz HWMZWZRCBMMZLN-UHFFFAOYSA-N 0 0 388.398 5.287 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(C(C)C)cc4)sc3nc2c1 ZINC000004886354 204086943 /nfs/dbraw/zinc/08/69/43/204086943.db2.gz OWBDGKLKFOCLIU-UHFFFAOYSA-N 0 0 376.481 5.834 50 0 GKAARN COc1ccc2nc3sc(C(=O)Nc4cnc5ccccc5c4)cc3cc2c1 ZINC000004900196 204087947 /nfs/dbraw/zinc/08/79/47/204087947.db2.gz REVPOLIXYIQTAC-UHFFFAOYSA-N 0 0 385.448 5.259 50 0 GKAARN COc1ccc2nc3sc(C(=O)N(C)c4cccc(Cl)c4)cc3cc2c1 ZINC000004900910 204087977 /nfs/dbraw/zinc/08/79/77/204087977.db2.gz ZWRIEGQSSUARJF-UHFFFAOYSA-N 0 0 382.872 5.388 50 0 GKAARN COc1cc(-c2nc3nc(C)cc(C)n3c2Nc2c(C)cccc2C)ccc1C ZINC000004903839 204088005 /nfs/dbraw/zinc/08/80/05/204088005.db2.gz JURFLEVTNNYZRI-UHFFFAOYSA-N 0 0 386.499 5.691 50 0 GKAARN COc1ccc2cc3cc(C(=O)N[C@@H](C)CCc4ccccc4)sc3nc2c1 ZINC000004900099 204088559 /nfs/dbraw/zinc/08/85/59/204088559.db2.gz PMNPRLPBWCATQD-HNNXBMFYSA-N 0 0 390.508 5.209 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc21 ZINC000004901941 204088651 /nfs/dbraw/zinc/08/86/51/204088651.db2.gz UIUROEAPECVKHC-UHFFFAOYSA-N 0 0 381.479 5.487 50 0 GKAARN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)Nc1ccc(Cl)cc1 ZINC000004899228 204088829 /nfs/dbraw/zinc/08/88/29/204088829.db2.gz QUQRQYOXKQGJDD-UHFFFAOYSA-N 0 0 388.924 5.303 50 0 GKAARN COc1cc2nc(=S)[nH]c(Nc3cc(Cl)cc(Cl)c3)c2cc1OC ZINC000004919098 204092464 /nfs/dbraw/zinc/09/24/64/204092464.db2.gz SWGNFNPTXZODJR-UHFFFAOYSA-N 0 0 382.272 5.360 50 0 GKAARN CCOc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000004911670 204089336 /nfs/dbraw/zinc/08/93/36/204089336.db2.gz NMZCJEMDTBWKKK-QGZVFWFLSA-N 0 0 396.284 5.475 50 0 GKAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)CCS2)N1CCc2ccccc21 ZINC000004908030 204089475 /nfs/dbraw/zinc/08/94/75/204089475.db2.gz 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O=C(NCc1cccnc1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005488533 204136091 /nfs/dbraw/zinc/13/60/91/204136091.db2.gz FELGAFNEYRIONA-HXUWFJFHSA-N 0 0 397.305 5.011 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2OC3(C)C)cc1 ZINC000005499972 204136467 /nfs/dbraw/zinc/13/64/67/204136467.db2.gz YBTZOYWFTIGTRH-KRWDZBQOSA-N 0 0 377.271 5.282 50 0 GKAARN COc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000005527601 204137743 /nfs/dbraw/zinc/13/77/43/204137743.db2.gz KJGLPIQTMLAFPK-UHFFFAOYSA-N 0 0 388.854 5.816 50 0 GKAARN CCc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000005516459 204138087 /nfs/dbraw/zinc/13/80/87/204138087.db2.gz LPEPXNNNNFTJBS-UHFFFAOYSA-N 0 0 376.891 5.973 50 0 GKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccncc4)=NN32)cc1F ZINC000005547616 204138325 /nfs/dbraw/zinc/13/83/25/204138325.db2.gz KYVMVWMHBQXYKR-FPOVZHCZSA-N 0 0 397.812 5.256 50 0 GKAARN COc1ccc(-c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)cc1OC ZINC000005547714 204138410 /nfs/dbraw/zinc/13/84/10/204138410.db2.gz MEPRBMFSYKXBIG-UHFFFAOYSA-N 0 0 386.495 5.892 50 0 GKAARN CC(C)Cn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(Cl)cc1Cl ZINC000005536006 204139150 /nfs/dbraw/zinc/13/91/50/204139150.db2.gz QVAIFJKNAOTFGG-INIZCTEOSA-N 0 0 398.359 5.512 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000005557783 204139759 /nfs/dbraw/zinc/13/97/59/204139759.db2.gz CYQICCZCYHBTPT-UHFFFAOYSA-N 0 0 380.494 5.073 50 0 GKAARN Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)n1 ZINC000005562984 204140309 /nfs/dbraw/zinc/14/03/09/204140309.db2.gz NTUXVLWLCUQAIK-UHFFFAOYSA-N 0 0 393.922 5.458 50 0 GKAARN Cc1ccc(Cl)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000005560524 204140520 /nfs/dbraw/zinc/14/05/20/204140520.db2.gz RIFKBXIABHAAGJ-UHFFFAOYSA-N 0 0 397.371 5.331 50 0 GKAARN O=C(C[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000005554976 204140727 /nfs/dbraw/zinc/14/07/27/204140727.db2.gz CORRRPPJSABOHW-LJQANCHMSA-N 0 0 390.913 5.190 50 0 GKAARN CCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005576844 204142002 /nfs/dbraw/zinc/14/20/02/204142002.db2.gz BQYIGLVZRVMNNE-XAHYOPIXSA-N 0 0 376.500 5.535 50 0 GKAARN COc1ccc(NC(=S)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cc1 ZINC000005611963 204143188 /nfs/dbraw/zinc/14/31/88/204143188.db2.gz IEVABJPDNTYRSM-SFHVURJKSA-N 0 0 376.525 5.655 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc3ccccc3[nH]2)c2ccccc2)c1 ZINC000005628208 204143516 /nfs/dbraw/zinc/14/35/16/204143516.db2.gz VAFYEMKEVGUYBB-NRFANRHFSA-N 0 0 387.508 5.652 50 0 GKAARN COc1ccc(-c2nc(CSc3nc4ccccc4o3)cs2)cc1OC ZINC000005628552 204143600 /nfs/dbraw/zinc/14/36/00/204143600.db2.gz FDQLZKVFKMFTIA-UHFFFAOYSA-N 0 0 384.482 5.261 50 0 GKAARN COc1ccc(C)cc1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000005688576 204145806 /nfs/dbraw/zinc/14/58/06/204145806.db2.gz JKDTWIRQBZUJTM-UHFFFAOYSA-N 0 0 390.508 5.635 50 0 GKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000005673487 204146203 /nfs/dbraw/zinc/14/62/03/204146203.db2.gz QDHTWZIMHLUENP-DENIHFKCSA-N 0 0 376.481 5.389 50 0 GKAARN Cc1cc(C2=NNC(=Nc3cccc(C)c3C)SC2)c(C)n1Cc1ccco1 ZINC000005692865 204146960 /nfs/dbraw/zinc/14/69/60/204146960.db2.gz IRGSEBSVPYINNF-UHFFFAOYSA-N 0 0 392.528 5.282 50 0 GKAARN Clc1cccc(OCc2cccc(-c3nc4ccccc4s3)c2)c1Cl ZINC000005705113 204147054 /nfs/dbraw/zinc/14/70/54/204147054.db2.gz GZVSDRYVTUOJON-UHFFFAOYSA-N 0 0 386.303 6.849 50 0 GKAARN Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)c(C)c1 ZINC000006768987 204203538 /nfs/dbraw/zinc/20/35/38/204203538.db2.gz MVSCMBRIUPOCKD-UHFFFAOYSA-N 0 0 379.529 5.356 50 0 GKAARN CC(C)CNC(=O)c1c(C(C)C)nn(-c2ccc(Cl)c(Cl)c2)c1C(C)C ZINC000006770796 204203684 /nfs/dbraw/zinc/20/36/84/204203684.db2.gz IMXMGLDDFVNWJZ-UHFFFAOYSA-N 0 0 396.362 5.812 50 0 GKAARN Cc1c(NC(=O)CCC2CCCCC2)cccc1-c1nc2cccnc2s1 ZINC000006781399 204204318 /nfs/dbraw/zinc/20/43/18/204204318.db2.gz UKLUGOQQPNXCAC-UHFFFAOYSA-N 0 0 379.529 5.966 50 0 GKAARN O=C(NCc1cccnc1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000006780641 204204544 /nfs/dbraw/zinc/20/45/44/204204544.db2.gz 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204207431 /nfs/dbraw/zinc/20/74/31/204207431.db2.gz AADGVXUGJLAOBT-UHFFFAOYSA-N 0 0 382.872 5.496 50 0 GKAARN Cc1c(C[NH2+][C@H]2CCCC[C@@H]2C)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000006806786 204209243 /nfs/dbraw/zinc/20/92/43/204209243.db2.gz AKEHKMDQPBNTAV-XOBRGWDASA-N 0 0 388.939 5.173 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccc(C)c(C)c4)oc3ccc2O1 ZINC000006808099 204209354 /nfs/dbraw/zinc/20/93/54/204209354.db2.gz GPVJSQMJQXDNSO-XMMPIXPASA-N 0 0 391.467 5.744 50 0 GKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccc(F)cc4F)oc3ccc2O1 ZINC000006808066 204209373 /nfs/dbraw/zinc/20/93/73/204209373.db2.gz LPVSXTRUQMPKPV-QFIPXVFZSA-N 0 0 399.393 5.406 50 0 GKAARN O=C(c1cc2c(s1)-c1ccccc1OC2)N(Cc1ccco1)C1CCCC1 ZINC000006804842 204209767 /nfs/dbraw/zinc/20/97/67/204209767.db2.gz TXVNZWWUBOPIDY-UHFFFAOYSA-N 0 0 379.481 5.486 50 0 GKAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1Cl ZINC000006810614 204210726 /nfs/dbraw/zinc/21/07/26/204210726.db2.gz MSIZWGBVYVHPDL-UHFFFAOYSA-N 0 0 390.266 5.194 50 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ZINC000006202340 204170399 /nfs/dbraw/zinc/17/03/99/204170399.db2.gz NQUGOYNDRXXRBQ-ZDUSSCGKSA-N 0 0 394.606 5.059 50 0 GKAARN CC[C@@H](C)N(C(=O)C(C)(C)C)c1ccc(N(C(=O)C(C)(C)C)[C@@H](C)CC)cc1 ZINC000006223986 204171828 /nfs/dbraw/zinc/17/18/28/204171828.db2.gz PILYYPOOKHLGJD-HDICACEKSA-N 0 0 388.596 6.042 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccnc1Cl ZINC000006254069 204172140 /nfs/dbraw/zinc/17/21/40/204172140.db2.gz VDQRSNOBMPLTMJ-UHFFFAOYSA-N 0 0 382.634 5.258 50 0 GKAARN Clc1ccc2oc(-c3cccnc3Oc3cc(Cl)cc(Cl)c3)nc2c1 ZINC000006251087 204172502 /nfs/dbraw/zinc/17/25/02/204172502.db2.gz POVCQJDDYBGFOH-UHFFFAOYSA-N 0 0 391.641 6.642 50 0 GKAARN Cc1ccc(C)c(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c1 ZINC000006413429 204178707 /nfs/dbraw/zinc/17/87/07/204178707.db2.gz DPSQEXULXSVOOO-UHFFFAOYSA-N 0 0 380.451 5.140 50 0 GKAARN Cc1cc(C)c(Cn2c(SCc3ccccc3F)nc3cccnc32)c(C)c1 ZINC000006877842 204218989 /nfs/dbraw/zinc/21/89/89/204218989.db2.gz XAWLWGYPMIHGMN-UHFFFAOYSA-N 0 0 391.515 5.836 50 0 GKAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1ccccc1 ZINC000006508557 204181884 /nfs/dbraw/zinc/18/18/84/204181884.db2.gz IOLVADQBOLLOOG-UHFFFAOYSA-N 0 0 389.539 5.602 50 0 GKAARN Cc1c(Cl)ccc2c(C(=O)NCc3cccs3)cc(-c3ccccc3)nc12 ZINC000006527107 204182195 /nfs/dbraw/zinc/18/21/95/204182195.db2.gz AJHHSARKLLQPIO-UHFFFAOYSA-N 0 0 392.911 5.855 50 0 GKAARN CCC(=O)Nc1nc(Br)sc1Cc1cc(Cl)ccc1Cl ZINC000006541956 204183222 /nfs/dbraw/zinc/18/32/22/204183222.db2.gz CQKFRZQSAKZLFD-UHFFFAOYSA-N 0 0 394.121 5.152 50 0 GKAARN COc1ccccc1CNC(=O)c1cc2c(s1)-c1cc(F)ccc1SC2 ZINC000006559545 204183389 /nfs/dbraw/zinc/18/33/89/204183389.db2.gz SAUQOYJTVBKGFI-UHFFFAOYSA-N 0 0 385.485 5.099 50 0 GKAARN COC(=O)c1c(NC(=O)/C=C\c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000035395081 204184747 /nfs/dbraw/zinc/18/47/47/204184747.db2.gz TZDWWSSMXQMHKK-DDKJEQMHSA-N 0 0 397.540 5.338 50 0 GKAARN COc1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1OC ZINC000006570965 204184858 /nfs/dbraw/zinc/18/48/58/204184858.db2.gz JFOYDBBTDMZTDT-NRFANRHFSA-N 0 0 381.522 6.123 50 0 GKAARN COc1ccc2c(c1)nc(SCC(=O)NCCC(C)C)cc2-c1ccccc1 ZINC000006586814 204184895 /nfs/dbraw/zinc/18/48/95/204184895.db2.gz DTJDSPSMIYMWHN-UHFFFAOYSA-N 0 0 394.540 5.165 50 0 GKAARN Cc1ccc(NC(=S)Nc2nc(-c3cccc4ccccc43)cs2)cc1C ZINC000006574571 204184996 /nfs/dbraw/zinc/18/49/96/204184996.db2.gz ZJHZMFBNNLPBOC-UHFFFAOYSA-N 0 0 389.549 6.389 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000006583286 204185032 /nfs/dbraw/zinc/18/50/32/204185032.db2.gz FQNHBQHFCKUHNU-UHFFFAOYSA-N 0 0 385.263 5.635 50 0 GKAARN COc1cc(OC)cc(-c2nc(SCc3ccc(Cl)cc3Cl)n[nH]2)c1 ZINC000006603391 204185892 /nfs/dbraw/zinc/18/58/92/204185892.db2.gz UISABKUQTDHPDS-UHFFFAOYSA-N 0 0 396.299 5.088 50 0 GKAARN CCCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000006635285 204187462 /nfs/dbraw/zinc/18/74/62/204187462.db2.gz ICYYXZJGDRILSD-UHFFFAOYSA-N 0 0 397.500 5.035 50 0 GKAARN C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2ccnc2)cc1 ZINC000006657740 204189683 /nfs/dbraw/zinc/18/96/83/204189683.db2.gz NWGXTANPSLKXIF-ZDUSSCGKSA-N 0 0 381.888 5.231 50 0 GKAARN CC(C)CC(=O)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000006689384 204191841 /nfs/dbraw/zinc/19/18/41/204191841.db2.gz LASWOHBSOXGYDS-UHFFFAOYSA-N 0 0 382.335 5.021 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C(C)(C)C)c2)cc1C ZINC000006704271 204192483 /nfs/dbraw/zinc/19/24/83/204192483.db2.gz IPHHRKSRQGRNDT-FQEVSTJZSA-N 0 0 382.529 5.067 50 0 GKAARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006706174 204192879 /nfs/dbraw/zinc/19/28/79/204192879.db2.gz VVNAACACNNRFAB-QHCPKHFHSA-N 0 0 394.540 5.292 50 0 GKAARN CCCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000006704206 204193041 /nfs/dbraw/zinc/19/30/41/204193041.db2.gz FKYASMOYACAXRD-LJQANCHMSA-N 0 0 394.515 5.014 50 0 biogenic GKAARN C[C@@H](CC(=O)Nc1nnc(SCc2cccc(Cl)c2)s1)CC(C)(C)C ZINC000006705837 204193172 /nfs/dbraw/zinc/19/31/72/204193172.db2.gz IAIAYIPPWXHKHG-LBPRGKRZSA-N 0 0 397.997 5.885 50 0 GKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000006704650 204193588 /nfs/dbraw/zinc/19/35/88/204193588.db2.gz UPXAWNLVOTYSAY-QFIPXVFZSA-N 0 0 382.529 5.374 50 0 GKAARN Cn1cc([C@H](CC(=O)N2CCCCC2)c2ccc(Cl)cc2)c2ccccc21 ZINC000006713816 204194172 /nfs/dbraw/zinc/19/41/72/204194172.db2.gz XYPUJXXAFARCRT-HXUWFJFHSA-N 0 0 380.919 5.366 50 0 GKAARN CC(C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000006713246 204194182 /nfs/dbraw/zinc/19/41/82/204194182.db2.gz WCOCTDUEEKCSML-GOSISDBHSA-N 0 0 388.433 5.244 50 0 GKAARN CCCCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000006720130 204194581 /nfs/dbraw/zinc/19/45/81/204194581.db2.gz TULXOYYSGFNURI-UHFFFAOYSA-N 0 0 399.494 6.051 50 0 GKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)cc3)=NN21 ZINC000006721416 204194698 /nfs/dbraw/zinc/19/46/98/204194698.db2.gz HNJPGLPXPZJCFQ-DHLKQENFSA-N 0 0 384.479 5.636 50 0 GKAARN CCCCCc1ccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cc2)cc1 ZINC000006727224 204195251 /nfs/dbraw/zinc/19/52/51/204195251.db2.gz PVKPKWYAYSBNLK-UHFFFAOYSA-N 0 0 382.507 6.727 50 0 GKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CC[C@@H](C)C3)c1 ZINC000006728226 204195870 /nfs/dbraw/zinc/19/58/70/204195870.db2.gz PFCOAYPJMHLFRR-MRXNPFEDSA-N 0 0 396.556 5.060 50 0 GKAARN CCOc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000006727396 204195981 /nfs/dbraw/zinc/19/59/81/204195981.db2.gz FAKVZUCEBGELSZ-UGKGYDQZSA-N 0 0 376.481 5.389 50 0 GKAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C3CCCC3)cc2)c1 ZINC000006733784 204196997 /nfs/dbraw/zinc/19/69/97/204196997.db2.gz FPVRBTYQHVNXGX-JOCHJYFZSA-N 0 0 398.503 5.041 50 0 GKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)C(C)C)c3ccccc3OC)c[nH]c21 ZINC000006734486 204197236 /nfs/dbraw/zinc/19/72/36/204197236.db2.gz RLMGQYWDNMWJEY-UTKZUKDTSA-N 0 0 392.543 5.422 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CC(C)C)cc2)cc1C ZINC000006739434 204197962 /nfs/dbraw/zinc/19/79/62/204197962.db2.gz WRRHKQBHXFXZIZ-JOCHJYFZSA-N 0 0 382.529 5.067 50 0 GKAARN COc1ccc2c(c1)N=C(c1ccccc1)NC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000006743615 204198068 /nfs/dbraw/zinc/19/80/68/204198068.db2.gz ZOEZAHCASSDMAG-UHFFFAOYSA-N 0 0 383.495 5.943 50 0 GKAARN COc1ccc(C2=Nc3ccc(Cl)cc3N=C(c3ccc(C)cc3)N2)cc1 ZINC000006743613 204198286 /nfs/dbraw/zinc/19/82/86/204198286.db2.gz ISEZYUXKAHMJFX-UHFFFAOYSA-N 0 0 375.859 5.608 50 0 GKAARN Cc1ccccc1OC(=O)c1nc(SCc2ccccc2F)ncc1Cl ZINC000006748054 204198616 /nfs/dbraw/zinc/19/86/16/204198616.db2.gz YTDXVURKMXWRLV-UHFFFAOYSA-N 0 0 388.851 5.089 50 0 aggregator GKAARN Cc1ccc(NC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000006743935 204198852 /nfs/dbraw/zinc/19/88/52/204198852.db2.gz CTZCZMHGJVZLRZ-UHFFFAOYSA-N 0 0 384.867 5.141 50 0 GKAARN CCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1 ZINC000006739802 204198894 /nfs/dbraw/zinc/19/88/94/204198894.db2.gz LVVPKYJRCUYCOL-OAQYLSRUSA-N 0 0 386.492 5.041 50 0 GKAARN COc1cccc(CSc2nc3ccncc3n2Cc2ccccc2C)c1 ZINC000006752264 204199279 /nfs/dbraw/zinc/19/92/79/204199279.db2.gz YSRQBYWWMZRPKE-UHFFFAOYSA-N 0 0 375.497 5.089 50 0 GKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000006751682 204199761 /nfs/dbraw/zinc/19/97/61/204199761.db2.gz PRAGGIMXLUQACY-DEOSSOPVSA-N 0 0 399.469 5.795 50 0 GKAARN Cc1c(C(=O)NC2CCCCC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006751375 204199782 /nfs/dbraw/zinc/19/97/82/204199782.db2.gz VVZZTVKYVLKLQY-QGZVFWFLSA-N 0 0 397.515 5.323 50 0 biogenic GKAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000006753006 204200741 /nfs/dbraw/zinc/20/07/41/204200741.db2.gz PEMGRQTUVXIFFQ-QHCPKHFHSA-N 0 0 389.499 5.251 50 0 GKAARN Cc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CCCC3)cc1F ZINC000006768685 204202138 /nfs/dbraw/zinc/20/21/38/204202138.db2.gz HJISPEAATFBMCJ-HNNXBMFYSA-N 0 0 397.519 5.748 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(N(CC(C)C)CC(C)C)s2)cc1Cl ZINC000006768041 204202667 /nfs/dbraw/zinc/20/26/67/204202667.db2.gz BZQZZZAYZSQNRK-UHFFFAOYSA-N 0 0 395.960 5.262 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(C)n2c3ccsc3cc12 ZINC000006893817 204220997 /nfs/dbraw/zinc/22/09/97/204220997.db2.gz OFUZNCAVCKPXRC-UHFFFAOYSA-N 0 0 392.509 5.508 50 0 GKAARN Cc1oc(-c2ccccc2Cl)nc1CSc1nncn2c3ccoc3cc12 ZINC000006893974 204221315 /nfs/dbraw/zinc/22/13/15/204221315.db2.gz YAWUQPZTOCVNKY-UHFFFAOYSA-N 0 0 396.859 5.385 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)c1C ZINC000006895533 204221542 /nfs/dbraw/zinc/22/15/42/204221542.db2.gz YWPZIZRHZMBVSM-AREMUKBSSA-N 0 0 387.888 5.110 50 0 GKAARN CCn1c2ccccc2c(C(=O)COc2ccc3c(c2)CCC3)c1-c1ccccc1 ZINC000006910906 204222527 /nfs/dbraw/zinc/22/25/27/204222527.db2.gz KHBRJHJIYZTARN-UHFFFAOYSA-N 0 0 395.502 6.079 50 0 GKAARN Cn1c2ccccc2nc1-c1c(-c2ccccc2)n[nH]c1-c1ccccc1Cl ZINC000006909103 204222739 /nfs/dbraw/zinc/22/27/39/204222739.db2.gz LRWFAMLAJXIRSG-UHFFFAOYSA-N 0 0 384.870 5.951 50 0 GKAARN Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)c2c1C ZINC000006902419 204223222 /nfs/dbraw/zinc/22/32/22/204223222.db2.gz CGBKFLQDDMQIMH-UHFFFAOYSA-N 0 0 399.585 5.228 50 0 GKAARN CCc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1 ZINC000006913299 204224140 /nfs/dbraw/zinc/22/41/40/204224140.db2.gz WCPIMEIPQAKDBI-UHFFFAOYSA-N 0 0 396.534 5.799 50 0 GKAARN Cc1ccccc1CNC(=O)c1ccc(N2C[C@@H](C)Sc3ccccc32)s1 ZINC000006914910 204224436 /nfs/dbraw/zinc/22/44/36/204224436.db2.gz OFQCMFPXTJWVSR-MRXNPFEDSA-N 0 0 394.565 5.619 50 0 GKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935691 204224750 /nfs/dbraw/zinc/22/47/50/204224750.db2.gz GPIZIWKFNVFJRI-CRAIPNDOSA-N 0 0 385.939 5.238 50 0 GKAARN CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000006935611 204225373 /nfs/dbraw/zinc/22/53/73/204225373.db2.gz FHSWGTVSCWSRMW-UHFFFAOYSA-N 0 0 393.918 5.745 50 0 GKAARN Cc1cccc(NC(=S)Nc2ccn(Cc3c(F)cccc3Cl)n2)c1C ZINC000006968292 204228121 /nfs/dbraw/zinc/22/81/21/204228121.db2.gz LGGKZYFDZQJPNQ-UHFFFAOYSA-N 0 0 388.899 5.150 50 0 GKAARN CC1=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(Cl)cc3)N2C=C1 ZINC000006995570 204229112 /nfs/dbraw/zinc/22/91/12/204229112.db2.gz SQRYVIOMVGYRAI-UHFFFAOYSA-N 0 0 393.718 5.095 50 0 GKAARN CCN(C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1cccc(C)c1 ZINC000007000846 204229149 /nfs/dbraw/zinc/22/91/49/204229149.db2.gz QYDPAHPZYUIBJH-UHFFFAOYSA-N 0 0 377.488 5.024 50 0 GKAARN CCC[C@H](NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1cccs1 ZINC000007001217 204229249 /nfs/dbraw/zinc/22/92/49/204229249.db2.gz XAGNRUBJGJCPTJ-SFHVURJKSA-N 0 0 397.544 5.382 50 0 GKAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2cccc(CC)c2)cc1 ZINC000007003897 204230101 /nfs/dbraw/zinc/23/01/01/204230101.db2.gz WVRLDSZRCOGTPP-UHFFFAOYSA-N 0 0 398.510 5.414 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000007003415 204230270 /nfs/dbraw/zinc/23/02/70/204230270.db2.gz KONVOTZNTNCQBW-UHFFFAOYSA-N 0 0 384.483 5.160 50 0 GKAARN C[C@@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000007004081 204230611 /nfs/dbraw/zinc/23/06/11/204230611.db2.gz UMZILMHOWLZFKT-LJQANCHMSA-N 0 0 385.511 5.393 50 0 GKAARN Cc1cccc(C)c1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000007035951 204231399 /nfs/dbraw/zinc/23/13/99/204231399.db2.gz ZUPNKQHAYBYOSF-UHFFFAOYSA-N 0 0 393.870 5.205 50 0 GKAARN CCc1ccc2nc(NC(=O)c3sc(-c4ccccc4)nc3C)sc2c1 ZINC000007996181 204258171 /nfs/dbraw/zinc/25/81/71/204258171.db2.gz GUWWSFZKPPRLHH-UHFFFAOYSA-N 0 0 379.510 5.543 50 0 GKAARN CCOc1ccc([C@@H](C)NC(=S)Nc2ccccc2Cl)cc1OCC ZINC000007060618 204232577 /nfs/dbraw/zinc/23/25/77/204232577.db2.gz KHHBRUROEKVGSD-CYBMUJFWSA-N 0 0 378.925 5.185 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000007062832 204233143 /nfs/dbraw/zinc/23/31/43/204233143.db2.gz QUQVXNXUCISZTL-UHFFFAOYSA-N 0 0 394.515 5.078 50 0 GKAARN c1csc(Cc2nnc(SCc3ccc4ccccc4n3)n2C2CC2)c1 ZINC000007191313 204235919 /nfs/dbraw/zinc/23/59/19/204235919.db2.gz YMAAAWXWMRWLOK-UHFFFAOYSA-N 0 0 378.526 5.106 50 0 GKAARN Cc1nc(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cs1 ZINC000007438068 204241120 /nfs/dbraw/zinc/24/11/20/204241120.db2.gz ASTPPWNSKRSQKO-UHFFFAOYSA-N 0 0 378.375 5.269 50 0 GKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)c2ccco2)cc1 ZINC000007434045 204241475 /nfs/dbraw/zinc/24/14/75/204241475.db2.gz JRAOAQQXBQQAQC-INIZCTEOSA-N 0 0 388.467 5.247 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007542650 204242046 /nfs/dbraw/zinc/24/20/46/204242046.db2.gz YVIYIYGLAKZNEM-QGZVFWFLSA-N 0 0 395.934 5.791 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000007580492 204243573 /nfs/dbraw/zinc/24/35/73/204243573.db2.gz LMJHAOSURMGNIJ-UHFFFAOYSA-N 0 0 382.529 5.414 50 0 GKAARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1CCC1=CCCCC1 ZINC000007617519 204244551 /nfs/dbraw/zinc/24/45/51/204244551.db2.gz YTZLYAUMWZVPGP-UHFFFAOYSA-N 0 0 398.576 5.205 50 0 GKAARN Cc1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1C1CC1 ZINC000007617373 204245123 /nfs/dbraw/zinc/24/51/23/204245123.db2.gz IGTHBUXIVSPHHI-NRFANRHFSA-N 0 0 377.513 5.255 50 0 GKAARN CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1 ZINC000007644043 204245187 /nfs/dbraw/zinc/24/51/87/204245187.db2.gz FYNJPSPTJSLIJO-KRWDZBQOSA-N 0 0 378.541 5.551 50 0 GKAARN Cc1c(-c2ccccc2)sc(NC(=O)c2ccco2)c1C(=O)N1CCCCC1 ZINC000007989615 204258489 /nfs/dbraw/zinc/25/84/89/204258489.db2.gz IAURETNSBCWHCC-UHFFFAOYSA-N 0 0 394.496 5.195 50 0 GKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC000007734603 204248003 /nfs/dbraw/zinc/24/80/03/204248003.db2.gz UXWGENFROKNVNB-UHFFFAOYSA-N 0 0 397.906 5.854 50 0 GKAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(SC(F)F)cc1 ZINC000007750592 204248325 /nfs/dbraw/zinc/24/83/25/204248325.db2.gz YNBWXNDUGUZWQE-UHFFFAOYSA-N 0 0 385.435 5.756 50 0 GKAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)c1 ZINC000007742909 204249123 /nfs/dbraw/zinc/24/91/23/204249123.db2.gz NMSGMRTXBIWYBN-UHFFFAOYSA-N 0 0 398.557 5.246 50 0 GKAARN Cc1csc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000007738661 204249200 /nfs/dbraw/zinc/24/92/00/204249200.db2.gz XSFDHBAOBJLTBY-UHFFFAOYSA-N 0 0 384.913 5.765 50 0 GKAARN COc1ccccc1NC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000007777127 204249646 /nfs/dbraw/zinc/24/96/46/204249646.db2.gz JSUBITLGWGDIRT-UHFFFAOYSA-N 0 0 389.480 5.924 50 0 GKAARN O=C(CSc1ccccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000007781325 204249657 /nfs/dbraw/zinc/24/96/57/204249657.db2.gz PRYNJJOCFQYQOI-UHFFFAOYSA-N 0 0 378.881 5.333 50 0 GKAARN O=C(COc1ccccc1-c1ccccc1)N[C@@H](c1ccco1)c1ccccc1 ZINC000007808813 204251280 /nfs/dbraw/zinc/25/12/80/204251280.db2.gz BLFAQNCGPDQAIH-RUZDIDTESA-N 0 0 383.447 5.231 50 0 GKAARN Cc1cc(NC(=O)Cc2csc(-c3ccsc3)n2)ccc1Br ZINC000007807444 204251814 /nfs/dbraw/zinc/25/18/14/204251814.db2.gz DIYJRDGQFXYHRX-UHFFFAOYSA-N 0 0 393.331 5.124 50 0 GKAARN Cc1cc(C)c(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c(Cl)c1 ZINC000007908849 204254057 /nfs/dbraw/zinc/25/40/57/204254057.db2.gz LZYDNPNDICGOFM-KRWDZBQOSA-N 0 0 399.947 5.342 50 0 GKAARN O=c1c(Cl)c(N[C@H](c2cccs2)c2ccccc2)cnn1-c1ccccc1 ZINC000007907400 204254236 /nfs/dbraw/zinc/25/42/36/204254236.db2.gz 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398.510 5.208 50 0 GKAARN CC(=O)N(c1nc(CSc2nc(C)c(C)o2)cs1)c1cccc(C)c1C ZINC000055237707 205144329 /nfs/dbraw/zinc/14/43/29/205144329.db2.gz HJFIZKLFHXHGQB-UHFFFAOYSA-N 0 0 387.530 5.342 50 0 GKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(Cl)cc1)NC2 ZINC000055211408 205146402 /nfs/dbraw/zinc/14/64/02/205146402.db2.gz XSFIKCCVRWPVDR-JOCHJYFZSA-N 0 0 382.891 5.121 50 0 GKAARN O=C(/C=C\c1c(Cl)cccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000050647355 205131473 /nfs/dbraw/zinc/13/14/73/205131473.db2.gz QVIOTIZHXWDEJC-RXQFDZFGSA-N 0 0 386.282 5.247 50 0 GKAARN C[C@H]1CN(C(=S)Nc2ccc(SC(F)F)cc2)C[C@@H](c2ccccc2)O1 ZINC000063177295 205185868 /nfs/dbraw/zinc/18/58/68/205185868.db2.gz HWKVUBGWNFSMIT-GUYCJALGSA-N 0 0 394.512 5.160 50 0 GKAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3nccc4ccccc43)cc2)n1 ZINC000063474388 205185978 /nfs/dbraw/zinc/18/59/78/205185978.db2.gz HIUUXDHXLJLQRA-UHFFFAOYSA-N 0 0 386.480 5.045 50 0 GKAARN Cc1cc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)c(C)n1CC(F)(F)F ZINC000058014823 205163113 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CCCn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2cc(C)ccc21 ZINC000064963690 205202978 /nfs/dbraw/zinc/20/29/78/205202978.db2.gz PCYAYPDBPJCHIL-UHFFFAOYSA-N 0 0 379.847 5.090 50 0 GKAARN O=C(NCc1cccc(Cl)c1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968033 205203077 /nfs/dbraw/zinc/20/30/77/205203077.db2.gz NYOGKKBTZYNLDJ-UHFFFAOYSA-N 0 0 390.870 5.196 50 0 GKAARN CCCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(C)ccc21 ZINC000064963693 205203912 /nfs/dbraw/zinc/20/39/12/205203912.db2.gz MJKUJCZQHOZXGE-UHFFFAOYSA-N 0 0 379.847 5.090 50 0 GKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(Cc4cccs4)n3)cc2)cc1 ZINC000065005336 205205667 /nfs/dbraw/zinc/20/56/67/205205667.db2.gz NDJGVQHOYVLHLJ-UHFFFAOYSA-N 0 0 391.452 5.140 50 0 GKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccccc3C)cc21 ZINC000065033930 205208622 /nfs/dbraw/zinc/20/86/22/205208622.db2.gz VWVRURDHZMYCGW-UHFFFAOYSA-N 0 0 386.426 5.610 50 0 GKAARN COc1ccc(-c2cc(OC)c3cc(NC(=O)c4ccccc4)ccc3n2)cc1 ZINC000065033862 205208799 /nfs/dbraw/zinc/20/87/99/205208799.db2.gz 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ZINC000065063244 205210201 /nfs/dbraw/zinc/21/02/01/205210201.db2.gz SRWNKZRWZHIRCV-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN CCSc1ccc(-c2cccc(NC(=O)c3cc(F)ccc3Cl)c2)nn1 ZINC000065185912 205217148 /nfs/dbraw/zinc/21/71/48/205217148.db2.gz OTMYGULTAFGIDG-UHFFFAOYSA-N 0 0 387.867 5.300 50 0 GKAARN O=C(C[C@H](Nc1ccc(Br)cc1)c1ccccc1)c1ccccc1 ZINC000002493458 209116448 /nfs/dbraw/zinc/11/64/48/209116448.db2.gz OWCUFVPBXFRRPV-FQEVSTJZSA-N 0 0 380.285 5.875 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(Cl)cc2)n1 ZINC000065114417 205211057 /nfs/dbraw/zinc/21/10/57/205211057.db2.gz YFZNTULRYAEHNO-UHFFFAOYSA-N 0 0 394.906 5.351 50 0 GKAARN COc1ccc2oc(-c3noc(Cc4ccc(Br)cc4)n3)c(C)c2c1 ZINC000065097283 205211169 /nfs/dbraw/zinc/21/11/69/205211169.db2.gz NRFTUFURMOIIDM-UHFFFAOYSA-N 0 0 399.244 5.153 50 0 GKAARN CCc1nc(-c2cccc(-c3noc(-c4cccc(OC)c4OC)n3)c2)cs1 ZINC000065098216 205211214 /nfs/dbraw/zinc/21/12/14/205211214.db2.gz WJOFHCBIEWRSAA-UHFFFAOYSA-N 0 0 393.468 5.107 50 0 GKAARN Cc1ccc(C(=O)[C@H](OC(=O)COc2ccccc2C)c2ccccc2)cc1C ZINC000001121456 209116180 /nfs/dbraw/zinc/11/61/80/209116180.db2.gz IHMJFGIVRTXDPQ-RUZDIDTESA-N 0 0 388.463 5.158 50 0 GKAARN O=C(CSCCCC(=O)c1ccc(F)cc1)Nc1ccc2ccccc2c1 ZINC000059506200 209116027 /nfs/dbraw/zinc/11/60/27/209116027.db2.gz GWFVGRLHMGFTDH-UHFFFAOYSA-N 0 0 381.472 5.314 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168869 205213913 /nfs/dbraw/zinc/21/39/13/205213913.db2.gz SVYNSYALPSUYQM-UHFFFAOYSA-N 0 0 399.281 5.041 50 0 GKAARN O=C(Nc1cccc(Cl)c1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168864 205214354 /nfs/dbraw/zinc/21/43/54/205214354.db2.gz LZILZCJHOVWCFS-UHFFFAOYSA-N 0 0 399.281 5.041 50 0 GKAARN COc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 ZINC000064472499 205190394 /nfs/dbraw/zinc/19/03/94/205190394.db2.gz VYDHGWBONRTMRZ-UHFFFAOYSA-N 0 0 388.492 5.775 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3cccc(Cl)c3)c2-n2cccc2)cc1 ZINC000064472570 205190925 /nfs/dbraw/zinc/19/09/25/205190925.db2.gz MVHJNCHTLPCWRJ-UHFFFAOYSA-N 0 0 392.911 6.420 50 0 GKAARN COc1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc32)c1 ZINC000064568425 205191217 /nfs/dbraw/zinc/19/12/17/205191217.db2.gz IATORCFLXXNQLM-UHFFFAOYSA-N 0 0 389.499 5.168 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)c1 ZINC000064606035 205191651 /nfs/dbraw/zinc/19/16/51/205191651.db2.gz YBQVMWCVBFPDFX-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCCc1ccccc1 ZINC000064657517 205191703 /nfs/dbraw/zinc/19/17/03/205191703.db2.gz DGSXVAQQATXZMA-UHFFFAOYSA-N 0 0 392.499 5.258 50 0 GKAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)cc2Cl)CC3)cc1 ZINC000064660001 205191710 /nfs/dbraw/zinc/19/17/10/205191710.db2.gz HDLDDCLNWQQZAA-UHFFFAOYSA-N 0 0 397.931 5.671 50 0 GKAARN COc1cccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)cc2C)CC3)c1 ZINC000064659958 205192826 /nfs/dbraw/zinc/19/28/26/205192826.db2.gz SJSHWGVCUMNYLL-UHFFFAOYSA-N 0 0 393.512 5.026 50 0 GKAARN CC(C)CCNC(=O)c1ccc(-c2nc3cccnc3n2C2CCCCC2)cc1 ZINC000064756206 205193984 /nfs/dbraw/zinc/19/39/84/205193984.db2.gz NNJHLTSVQUUXBT-UHFFFAOYSA-N 0 0 390.531 5.379 50 0 GKAARN CC(=O)c1cccc(NC(=O)Nc2c(-c3ccc(C)cc3)nc3ccccn32)c1 ZINC000064758059 205194015 /nfs/dbraw/zinc/19/40/15/205194015.db2.gz WCKCSHFEUDEULI-UHFFFAOYSA-N 0 0 384.439 5.156 50 0 GKAARN Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)n1 ZINC000064747376 205194043 /nfs/dbraw/zinc/19/40/43/205194043.db2.gz MWNQHYUZAFWNAE-KRWDZBQOSA-N 0 0 382.851 5.067 50 0 GKAARN COc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(SC)c2)s1 ZINC000064757695 205194300 /nfs/dbraw/zinc/19/43/00/205194300.db2.gz MIIKIOSCEIKMOS-UHFFFAOYSA-N 0 0 385.514 5.178 50 0 GKAARN O=[S@](Cc1coc(-c2cccs2)n1)Cc1csc(C2CCCCC2)n1 ZINC000064827731 205196836 /nfs/dbraw/zinc/19/68/36/205196836.db2.gz MFPXDMRHASEZNT-VWLOTQADSA-N 0 0 392.571 5.356 50 0 GKAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000064847776 205198151 /nfs/dbraw/zinc/19/81/51/205198151.db2.gz HEDVAAXIEDOOJR-MRXNPFEDSA-N 0 0 399.922 5.167 50 0 GKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F ZINC000067296331 205245292 /nfs/dbraw/zinc/24/52/92/205245292.db2.gz WWMBZMAMFWELIY-DAFNUICNSA-N 0 0 393.805 5.105 50 0 GKAARN CC(C)OCCCNc1c(-c2ccc(O)cc2)nc2sc3ccccc3n21 ZINC000065319287 205228574 /nfs/dbraw/zinc/22/85/74/205228574.db2.gz CXVIGIPEWFYIHS-UHFFFAOYSA-N 0 0 381.501 5.149 50 0 GKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 ZINC000065331266 205230232 /nfs/dbraw/zinc/23/02/32/205230232.db2.gz YVQLIYDVOJOCGK-SFHVURJKSA-N 0 0 395.890 5.179 50 0 GKAARN CCc1cccc(C)c1Nc1c(-c2ccc(OC)c(OC)c2)nc2cnccn21 ZINC000065322682 205230443 /nfs/dbraw/zinc/23/04/43/205230443.db2.gz LYWXMWSXPPVKIX-UHFFFAOYSA-N 0 0 388.471 5.028 50 0 GKAARN COc1ccc(C[C@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 ZINC000000852956 209112970 /nfs/dbraw/zinc/11/29/70/209112970.db2.gz GDSUUCHCBXITSQ-QGZVFWFLSA-N 0 0 382.467 5.017 50 0 GKAARN COc1ccc(C(C)C)cc1-c1c(-c2ccccc2)ncn1Cc1nnc(C)o1 ZINC000065405619 205234101 /nfs/dbraw/zinc/23/41/01/205234101.db2.gz 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/nfs/dbraw/zinc/28/17/39/206281739.db2.gz HAJKZJDPNDOFGP-OJJQZRKESA-N 0 0 393.486 5.238 50 0 GKAARN CN(C)c1ccc(Oc2ccc3c(c2)CC[C@H]2[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)cc1 ZINC000248077247 206282142 /nfs/dbraw/zinc/28/21/42/206282142.db2.gz ULYOBMCBSNBRSQ-PMHJDTQVSA-N 0 0 389.539 5.970 50 0 GKAARN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000245238045 206281306 /nfs/dbraw/zinc/28/13/06/206281306.db2.gz DFUVYUIOKPEVNC-OPBMBUAESA-N 0 0 395.502 5.462 50 0 GKAARN COc1ccc(-c2cn3c(C(C)=O)c(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000005283758 211566746 /nfs/dbraw/zinc/56/67/46/211566746.db2.gz FHGUIACUFOCCPK-UHFFFAOYSA-N 0 0 384.479 5.622 50 0 GKAARN C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000253473176 206284159 /nfs/dbraw/zinc/28/41/59/206284159.db2.gz RZABDNUEOKCHLU-AWEZNQCLSA-N 0 0 375.390 5.132 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000253498518 206284186 /nfs/dbraw/zinc/28/41/86/206284186.db2.gz DIYGODQITXZLQE-VNDJRSAQSA-N 0 0 396.571 5.616 50 0 biogenic GKAARN CCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000005399256 211564846 /nfs/dbraw/zinc/56/48/46/211564846.db2.gz FBOFGBZVVPVETP-IFMALSPDSA-N 0 0 389.580 5.301 50 0 GKAARN O=C1C[C@@H](c2ccc(F)c(F)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587203 206287787 /nfs/dbraw/zinc/28/77/87/206287787.db2.gz DIMPIKDIRGDSCV-KRWDZBQOSA-N 0 0 388.417 5.442 50 0 GKAARN O=C1C[C@H](c2ccc(F)c(F)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263587204 206287804 /nfs/dbraw/zinc/28/78/04/206287804.db2.gz DIMPIKDIRGDSCV-QGZVFWFLSA-N 0 0 388.417 5.442 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H](CC(C)C)n2cccc2)c2ccccc12 ZINC000263588185 206289017 /nfs/dbraw/zinc/28/90/17/206289017.db2.gz QDYOVDQBKCOOPP-DHIUTWEWSA-N 0 0 390.527 5.601 50 0 GKAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(-c2ccccc2)cc1 ZINC000004138224 211535663 /nfs/dbraw/zinc/53/56/63/211535663.db2.gz XVCUQMCMJBTVRV-UHFFFAOYSA-N 0 0 380.491 5.644 50 0 GKAARN COc1ccc(Oc2coc3cc(OC(=O)C4CCCCC4)ccc3c2=O)cc1 ZINC000000940503 206290112 /nfs/dbraw/zinc/29/01/12/206290112.db2.gz AIWZSEWAXNIRJB-UHFFFAOYSA-N 0 0 394.423 5.080 50 0 GKAARN CC(C)(C)CC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000004043290 211528120 /nfs/dbraw/zinc/52/81/20/211528120.db2.gz DVJQRHITOFFOBS-UHFFFAOYSA-N 0 0 386.831 5.580 50 0 GKAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000003228053 211520790 /nfs/dbraw/zinc/52/07/90/211520790.db2.gz KIEIWTXIYUCDMC-FQEVSTJZSA-N 0 0 384.353 5.486 50 0 GKAARN COc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc2c1 ZINC000002210447 206291533 /nfs/dbraw/zinc/29/15/33/206291533.db2.gz QOWISXLBGDBXEW-UHFFFAOYSA-N 0 0 399.162 5.250 50 0 GKAARN Cc1oc2cc(OCc3cccc(F)c3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002433541 206291606 /nfs/dbraw/zinc/29/16/06/206291606.db2.gz CARDRGNJTPQCNJ-UHFFFAOYSA-N 0 0 394.829 6.140 50 0 GKAARN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(C)c(C)c1 ZINC000002889737 211519019 /nfs/dbraw/zinc/51/90/19/211519019.db2.gz MXDDEMOIRYNKFC-UHFFFAOYSA-N 0 0 395.480 5.079 50 0 GKAARN CCCCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC ZINC000002752428 211517812 /nfs/dbraw/zinc/51/78/12/211517812.db2.gz VSBBUIVDSVCVJK-QGOAFFKASA-N 0 0 399.874 5.262 50 0 GKAARN COc1ccc(C2=C(Cl)C=C(c3ccccc3)c3ccccc3O2)cc1OC ZINC000001818539 206291761 /nfs/dbraw/zinc/29/17/61/206291761.db2.gz VXORGNCRRCOSOZ-UHFFFAOYSA-N 0 0 390.866 6.136 50 0 biogenic GKAARN Cc1ccc(C(=O)[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1C ZINC000002092941 206292062 /nfs/dbraw/zinc/29/20/62/206292062.db2.gz OEWXWTCAWFZETL-SANMLTNESA-N 0 0 398.458 5.721 50 0 biogenic GKAARN Cc1ccc(-c2nnc(S[C@H](C)c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000003442898 211523056 /nfs/dbraw/zinc/52/30/56/211523056.db2.gz JIUFKBPJRIQUFX-LJQANCHMSA-N 0 0 385.536 6.404 50 0 GKAARN O=c1oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc2c2c1CCC2 ZINC000002119310 206292147 /nfs/dbraw/zinc/29/21/47/206292147.db2.gz SULWHQQIHAFFNI-UHFFFAOYSA-N 0 0 378.427 6.362 50 0 biogenic GKAARN CCOC(=O)c1ccc(Oc2coc3cc(OCC=C(C)C)ccc3c2=O)cc1 ZINC000002102045 206292275 /nfs/dbraw/zinc/29/22/75/206292275.db2.gz MXTKGBFHQXMAPY-UHFFFAOYSA-N 0 0 394.423 5.107 50 0 biogenic GKAARN Cc1oc2cc(OCc3ccccc3F)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002418474 206292333 /nfs/dbraw/zinc/29/23/33/206292333.db2.gz VWCFMANLMMDILF-UHFFFAOYSA-N 0 0 394.829 6.140 50 0 GKAARN COc1ccc([C@@]2(C)CCc3oc4ccc(Cl)cc4c3-c3oc(C)cc32)cc1 ZINC000003846785 206293257 /nfs/dbraw/zinc/29/32/57/206293257.db2.gz AKQYTWNPENOPLR-XMMPIXPASA-N 0 0 392.882 6.915 50 0 biogenic GKAARN Cc1ccccc1COc1ccc(-c2nc(N)nc(C)c2-c2ccccc2)c(O)c1 ZINC000005560905 206293096 /nfs/dbraw/zinc/29/30/96/206293096.db2.gz DTHQMLWAZKCSNG-UHFFFAOYSA-N 0 0 397.478 5.294 50 0 GKAARN COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccccc2)cc1O ZINC000006719583 206294396 /nfs/dbraw/zinc/29/43/96/206294396.db2.gz YWIBMCIYKOAMQW-UHFFFAOYSA-N 0 0 387.435 5.610 50 0 GKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)cc1 ZINC000009660089 206295260 /nfs/dbraw/zinc/29/52/60/206295260.db2.gz HADFVKGBQOFDMT-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 GKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4cccnc4)ccc3o2)cc1 ZINC000009660136 206295297 /nfs/dbraw/zinc/29/52/97/206295297.db2.gz ULJPXZJXRPZUQA-UHFFFAOYSA-N 0 0 398.462 5.405 50 0 GKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4C)cc3c2C)c1 ZINC000015729470 206297019 /nfs/dbraw/zinc/29/70/19/206297019.db2.gz SKQXXKRCBGYQRP-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)c1 ZINC000011865077 206294524 /nfs/dbraw/zinc/29/45/24/206294524.db2.gz FTADGUDAEDBOPW-UHFFFAOYSA-N 0 0 399.446 5.094 50 0 GKAARN CCCCc1nc2sc3c(ncnc3NCc3ccco3)c2c2c1CCC2 ZINC000002224217 211514630 /nfs/dbraw/zinc/51/46/30/211514630.db2.gz XZKMWMATZGEYGJ-UHFFFAOYSA-N 0 0 378.501 5.276 50 0 GKAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4C)ccc3o2)cc1 ZINC000009660084 206294720 /nfs/dbraw/zinc/29/47/20/206294720.db2.gz KDFPJOWGXAJKTO-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 biogenic GKAARN O=C(Nc1ccc(Cl)cc1)C1=C(N2CCCCC2)/C(=C/c2ccncc2)CC1 ZINC000006508045 206295014 /nfs/dbraw/zinc/29/50/14/206295014.db2.gz XKPVLIHINJSLEH-FBMGVBCBSA-N 0 0 393.918 5.291 50 0 GKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4C)cc3c2C)cc1 ZINC000015729471 206297436 /nfs/dbraw/zinc/29/74/36/206297436.db2.gz JZLIAVAHTSUASA-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN Cc1ccc(-n2ncc3c2ncnc3N(c2ccccc2)c2ccccc2)c(C)c1 ZINC000096346857 206299885 /nfs/dbraw/zinc/29/98/85/206299885.db2.gz VHOJYROJHCULRU-UHFFFAOYSA-N 0 0 391.478 5.902 50 0 GKAARN Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000000596881 206307576 /nfs/dbraw/zinc/30/75/76/206307576.db2.gz LEZWWPYKPKIXLL-GOSISDBHSA-N 0 0 381.690 5.801 50 0 aggregator,fda GKAARN O=C(Nc1ccccc1NC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000000623255 206308522 /nfs/dbraw/zinc/30/85/22/206308522.db2.gz NOBNYGYYOZKKPS-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CC(C)c1ccccc1NC(=O)CSCc1ccccc1Br ZINC000000628064 206309492 /nfs/dbraw/zinc/30/94/92/206309492.db2.gz QVGWCBDMOKAMBI-UHFFFAOYSA-N 0 0 378.335 5.444 50 0 GKAARN Cc1nc(CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cs1 ZINC000000630349 206309864 /nfs/dbraw/zinc/30/98/64/206309864.db2.gz TYRDUMWECBEPME-UHFFFAOYSA-N 0 0 399.566 5.121 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000000640666 206310734 /nfs/dbraw/zinc/31/07/34/206310734.db2.gz RJCUVTSPLCJZSI-SFQUDFHCSA-N 0 0 381.840 5.429 50 0 GKAARN COc1cc(OC)c(NC(=O)Oc2c(Cl)cccc2Cl)cc1Cl ZINC000000641594 206310947 /nfs/dbraw/zinc/31/09/47/206310947.db2.gz WHKVRGCNWRLCMN-UHFFFAOYSA-N 0 0 376.623 5.275 50 0 GKAARN O=C(C[C@H](Cc1cc(=O)cc(-c2ccccc2)o1)c1ccccc1)c1ccccc1 ZINC000000634142 206311167 /nfs/dbraw/zinc/31/11/67/206311167.db2.gz DRQHSOBUZLKYBX-QHCPKHFHSA-N 0 0 394.470 5.906 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccccc4F)c3n2)cc1 ZINC000000649077 206311618 /nfs/dbraw/zinc/31/16/18/206311618.db2.gz LGOHNNZKSYWNBC-UHFFFAOYSA-N 0 0 396.372 5.034 50 0 GKAARN O=C1N[C@H](c2ccccc2)Nc2c1sc1nc3c(c(-c4ccccc4)c12)CCC3 ZINC000000643042 206311692 /nfs/dbraw/zinc/31/16/92/206311692.db2.gz MQGSMYQWYWLPIU-JOCHJYFZSA-N 0 0 397.503 5.306 50 0 GKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c(C)c1 ZINC000000648861 206311830 /nfs/dbraw/zinc/31/18/30/206311830.db2.gz ZFDLMIPDTSEUMJ-UHFFFAOYSA-N 0 0 392.409 5.203 50 0 GKAARN O=c1c(Oc2ccccc2)coc2cc(OCc3ccc(Cl)cc3)ccc21 ZINC000000644084 206312082 /nfs/dbraw/zinc/31/20/82/206312082.db2.gz AQUOCURDMWTQPE-UHFFFAOYSA-N 0 0 378.811 5.818 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1Br ZINC000000652103 206312903 /nfs/dbraw/zinc/31/29/03/206312903.db2.gz BUDYQNYRNVWTIO-UHFFFAOYSA-N 0 0 393.693 5.478 50 0 GKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C)c(F)c4)c(N)c3cc2C1 ZINC000000661807 206313227 /nfs/dbraw/zinc/31/32/27/206313227.db2.gz KDTMJXUJNOWAIG-GFCCVEGCSA-N 0 0 383.492 5.093 50 0 GKAARN O=C(COc1ccccc1Cl)Nc1nc(-c2ccccc2Cl)cs1 ZINC000000651896 206313754 /nfs/dbraw/zinc/31/37/54/206313754.db2.gz DURCGVQAOKMUEE-UHFFFAOYSA-N 0 0 379.268 5.134 50 0 GKAARN COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(Cl)c1 ZINC000000662938 206314089 /nfs/dbraw/zinc/31/40/89/206314089.db2.gz SLCMQQDRPKGEBL-UHFFFAOYSA-N 0 0 385.872 5.031 50 0 GKAARN CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OCC ZINC000000668064 206314373 /nfs/dbraw/zinc/31/43/73/206314373.db2.gz VSBUQTVRBQZWBU-QFIPXVFZSA-N 0 0 389.495 5.198 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 ZINC000000666534 206314532 /nfs/dbraw/zinc/31/45/32/206314532.db2.gz FEVIZMOHKGCIEI-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cc(C)ccc4C)c(C)c3cc12 ZINC000002147881 211513217 /nfs/dbraw/zinc/51/32/17/211513217.db2.gz FMNTZCHQNZIARG-UHFFFAOYSA-N 0 0 389.451 5.344 50 0 biogenic GKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000000672213 206315038 /nfs/dbraw/zinc/31/50/38/206315038.db2.gz RUUWQPDRCFWPCS-UHFFFAOYSA-N 0 0 394.110 5.427 50 0 GKAARN Cc1c(Cc2ccccc2)sc(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O ZINC000000672000 206315075 /nfs/dbraw/zinc/31/50/75/206315075.db2.gz 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206316013 /nfs/dbraw/zinc/31/60/13/206316013.db2.gz BIVUOVKEVPVQLJ-UHFFFAOYSA-N 0 0 389.076 5.082 50 0 GKAARN Cc1cccc(N2C(=O)c3cccc4c(C(=O)c5ccccc5)ccc(c43)C2=O)c1 ZINC000000677872 206316029 /nfs/dbraw/zinc/31/60/29/206316029.db2.gz KNEOWAXRGWBESO-UHFFFAOYSA-N 0 0 391.426 5.180 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Br)cc2Br)c(C)c1 ZINC000000682549 206316229 /nfs/dbraw/zinc/31/62/29/206316229.db2.gz LOZSRCXMWRWKNJ-UHFFFAOYSA-N 0 0 383.083 5.081 50 0 GKAARN O=C(Nc1ccccc1)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000000691602 206316486 /nfs/dbraw/zinc/31/64/86/206316486.db2.gz ANKXCMQRIJDRLM-NRFANRHFSA-N 0 0 376.481 5.758 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(-c3cccs3)s2)cc1 ZINC000000680090 206316965 /nfs/dbraw/zinc/31/69/65/206316965.db2.gz ZDLNJJRVRWXJSD-GJZGRUSLSA-N 0 0 383.542 5.306 50 0 GKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(Cl)c1 ZINC000000682603 206316979 /nfs/dbraw/zinc/31/69/79/206316979.db2.gz AEDPVGYONZPEBM-UHFFFAOYSA-N 0 0 387.870 5.123 50 0 GKAARN 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GKAARN Clc1ccccc1-n1ncc2c1nc(C1CCCCC1)nc2N1CCCC1 ZINC000036000333 210701289 /nfs/dbraw/zinc/70/12/89/210701289.db2.gz LBYALTHPPOBALM-UHFFFAOYSA-N 0 0 381.911 5.117 50 0 GKAARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992478 207081624 /nfs/dbraw/zinc/08/16/24/207081624.db2.gz OKPVSCGJXOQNAN-UHFFFAOYSA-N 0 0 385.851 5.416 50 0 GKAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)sc2nc(-c3ccccc3)cn12 ZINC000016994166 207081742 /nfs/dbraw/zinc/08/17/42/207081742.db2.gz HYGPRRLXKJTTBU-UHFFFAOYSA-N 0 0 375.497 5.549 50 0 GKAARN Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000017057600 207081976 /nfs/dbraw/zinc/08/19/76/207081976.db2.gz HTXVYLHFPRRVNH-UHFFFAOYSA-N 0 0 388.880 5.031 50 0 GKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000036246185 210713846 /nfs/dbraw/zinc/71/38/46/210713846.db2.gz JVZBNUDFXJRZEA-UHFFFAOYSA-N 0 0 393.842 5.014 50 0 GKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2ccccc2)c1-c1ccc(C)c(C)c1 ZINC000017077839 207082442 /nfs/dbraw/zinc/08/24/42/207082442.db2.gz 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CCc1ccc(C[NH2+]Cc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021024993 207224760 /nfs/dbraw/zinc/22/47/60/207224760.db2.gz KYHZDKNEINUSAH-UHFFFAOYSA-N 0 0 396.918 5.298 50 0 GKAARN O=C(NC1CCCCC1)N1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000021047762 207224802 /nfs/dbraw/zinc/22/48/02/207224802.db2.gz NMJYBPJAKNCREY-JOCHJYFZSA-N 0 0 394.584 5.617 50 0 GKAARN COc1ccc2cc3cc(C(=O)N(C)c4ccccc4)sc3nc2c1Cl ZINC000021087621 207225320 /nfs/dbraw/zinc/22/53/20/207225320.db2.gz SQTVXCQOIGFHAV-UHFFFAOYSA-N 0 0 382.872 5.388 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4cc(C)ccc4C)sc3nc2c1Cl ZINC000021087686 207225370 /nfs/dbraw/zinc/22/53/70/207225370.db2.gz FTRNKYJHTWINQI-UHFFFAOYSA-N 0 0 396.899 5.981 50 0 GKAARN Cc1cccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)c1C ZINC000021530432 207230991 /nfs/dbraw/zinc/23/09/91/207230991.db2.gz JRXXRCWWEOZMIL-FQEVSTJZSA-N 0 0 390.508 5.091 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000021107929 207225715 /nfs/dbraw/zinc/22/57/15/207225715.db2.gz KFQVPLRABMUMQU-IBGZPJMESA-N 0 0 399.372 5.060 50 0 GKAARN CCOc1ccccc1CNC(=O)c1cc2cc3cc(C)ccc3nc2s1 ZINC000021054247 207226081 /nfs/dbraw/zinc/22/60/81/207226081.db2.gz PCNAPNRBWSEHRF-UHFFFAOYSA-N 0 0 376.481 5.087 50 0 GKAARN Cc1ccc(Cl)c(OC(=O)c2cn(-c3ccccc3)c(=O)c3ccccc23)c1 ZINC000021109388 207226318 /nfs/dbraw/zinc/22/63/18/207226318.db2.gz GBKJVHJVMBBRSI-UHFFFAOYSA-N 0 0 389.838 5.172 50 0 GKAARN Fc1ccc(Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000021161936 207226623 /nfs/dbraw/zinc/22/66/23/207226623.db2.gz OIZOAPCEOJVHCL-UHFFFAOYSA-N 0 0 383.879 5.564 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1cccnc1Cl ZINC000021142742 207227359 /nfs/dbraw/zinc/22/73/59/207227359.db2.gz MCQSXBJOYFOPOE-UHFFFAOYSA-N 0 0 398.800 5.399 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000021525614 207231090 /nfs/dbraw/zinc/23/10/90/207231090.db2.gz SAVKNEYJEQERCT-UHFFFAOYSA-N 0 0 375.815 5.309 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(Cl)c1Cl ZINC000021928403 207241879 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Cc1ccc(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000021704867 207235330 /nfs/dbraw/zinc/23/53/30/207235330.db2.gz ZAYVIHRZFQTSSQ-UHFFFAOYSA-N 0 0 384.483 5.311 50 0 GKAARN Cc1cccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C)no2)c1 ZINC000021717829 207235409 /nfs/dbraw/zinc/23/54/09/207235409.db2.gz FEPBYRYMFBBGIY-UHFFFAOYSA-N 0 0 399.475 5.453 50 0 GKAARN COc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711521 207235491 /nfs/dbraw/zinc/23/54/91/207235491.db2.gz LUSYZZKXAZGOFC-UHFFFAOYSA-N 0 0 386.411 5.056 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1C ZINC000021890406 207240318 /nfs/dbraw/zinc/24/03/18/207240318.db2.gz SEZUNFCVZLIJMX-CQSZACIVSA-N 0 0 381.863 5.248 50 0 GKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(Cl)ccc1OC ZINC000021889934 207241198 /nfs/dbraw/zinc/24/11/98/207241198.db2.gz JBUDBFYZRAUHBN-GOSISDBHSA-N 0 0 395.890 5.638 50 0 GKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000021889977 207241314 /nfs/dbraw/zinc/24/13/14/207241314.db2.gz 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ZINC000022330296 207252666 /nfs/dbraw/zinc/25/26/66/207252666.db2.gz SCQQUMHPXHWUGO-AWEZNQCLSA-N 0 0 377.550 5.349 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)CC1CCCC1 ZINC000022327681 207252792 /nfs/dbraw/zinc/25/27/92/207252792.db2.gz JZLLROLSTYIKDL-AWEZNQCLSA-N 0 0 379.566 5.983 50 0 GKAARN CCC[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)OCC)C1 ZINC000022331225 207252815 /nfs/dbraw/zinc/25/28/15/207252815.db2.gz ZUQGDIGJEDKDDC-CQSZACIVSA-N 0 0 377.550 5.349 50 0 GKAARN CC(C)NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021894038 207242543 /nfs/dbraw/zinc/24/25/43/207242543.db2.gz JRCGVFBYTYSYRF-OAQYLSRUSA-N 0 0 379.891 5.154 50 0 GKAARN O=C(Nc1cc(-c2ccccc2F)nn1-c1ccccc1)c1ccccc1F ZINC000021944876 207242936 /nfs/dbraw/zinc/24/29/36/207242936.db2.gz GEOCSYKOHCJWGW-UHFFFAOYSA-N 0 0 375.378 5.070 50 0 GKAARN CC(=O)N1N=C(c2cc(C3CC3)nc3ccccc32)O[C@H]1c1cccc(Cl)c1 ZINC000021941214 207243974 /nfs/dbraw/zinc/24/39/74/207243974.db2.gz FLVNJBFMZQYBJT-QFIPXVFZSA-N 0 0 391.858 5.005 50 0 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/nfs/dbraw/zinc/25/85/22/207258522.db2.gz QIDLTQLDMMOPSX-INIZCTEOSA-N 0 0 399.556 5.986 50 0 GKAARN C[C@H]1CCCN(c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)C1 ZINC000022626533 207258685 /nfs/dbraw/zinc/25/86/85/207258685.db2.gz NGVVOWZWUUTXLI-SFHVURJKSA-N 0 0 377.532 5.091 50 0 GKAARN COc1ccccc1C(=O)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1 ZINC000022668289 207259595 /nfs/dbraw/zinc/25/95/95/207259595.db2.gz IYBUVAXHSIHRFK-UHFFFAOYSA-N 0 0 399.534 5.847 50 0 GKAARN CCOC(=O)c1c(NC(=O)C[C@H](C)CC(C)(C)C)sc2c1Cc1ccccc1-2 ZINC000022663823 207260043 /nfs/dbraw/zinc/26/00/43/207260043.db2.gz SRDNMSKBRFCYRV-AWEZNQCLSA-N 0 0 399.556 5.897 50 0 GKAARN CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)cnn32)cc1 ZINC000023114948 207268591 /nfs/dbraw/zinc/26/85/91/207268591.db2.gz KBTZCQGAFUXJMD-UHFFFAOYSA-N 0 0 378.863 5.500 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H](C)CCC(C)C)cc2)c1 ZINC000023306830 207271845 /nfs/dbraw/zinc/27/18/45/207271845.db2.gz HZAFZWABOJPEND-FQEVSTJZSA-N 0 0 389.543 5.711 50 0 GKAARN CCCCOCCCNC(=O)c1sc2ccc3ccccc3c2c1Cl ZINC000023307920 207272521 /nfs/dbraw/zinc/27/25/21/207272521.db2.gz UTCUKTMCOAYOSM-UHFFFAOYSA-N 0 0 375.921 5.645 50 0 GKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(C)cc1 ZINC000023331303 207272865 /nfs/dbraw/zinc/27/28/65/207272865.db2.gz AEDNDAFVAKGJEL-MRXNPFEDSA-N 0 0 393.508 5.637 50 0 GKAARN O=C(c1cccc(Cl)c1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023325283 207272907 /nfs/dbraw/zinc/27/29/07/207272907.db2.gz UXHDTIHDUXPAHZ-NRFANRHFSA-N 0 0 382.290 5.781 50 0 GKAARN O=C(c1ccc(Cl)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023323820 207273033 /nfs/dbraw/zinc/27/30/33/207273033.db2.gz RRDWOQPYKDHNSA-OAQYLSRUSA-N 0 0 382.290 5.781 50 0 GKAARN C[C@@H](c1nccs1)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000023478922 207277353 /nfs/dbraw/zinc/27/73/53/207277353.db2.gz XWTMDFIAOAWCAP-KRWDZBQOSA-N 0 0 394.588 5.784 50 0 GKAARN O=C(C1CCCC1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023318243 207273426 /nfs/dbraw/zinc/27/34/26/207273426.db2.gz 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207284679 /nfs/dbraw/zinc/28/46/79/207284679.db2.gz LVVRWKJGRLPIBI-KRWDZBQOSA-N 0 0 394.500 5.283 50 0 GKAARN COc1ccccc1CN(Cc1cccs1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000024023722 207286282 /nfs/dbraw/zinc/28/62/82/207286282.db2.gz IXVUANCUGKSCFD-UHFFFAOYSA-N 0 0 395.568 5.502 50 0 GKAARN FC(F)(F)c1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 ZINC000024013009 207286636 /nfs/dbraw/zinc/28/66/36/207286636.db2.gz XOPYCPPMUIIFBP-UHFFFAOYSA-N 0 0 389.768 5.231 50 0 GKAARN FC(F)(F)c1ccc(-c2ccc3nc(-c4ccc5c(c4)OCCO5)oc3c2)cc1 ZINC000023448511 207277736 /nfs/dbraw/zinc/27/77/36/207277736.db2.gz SOIRXNNMMOAPFX-UHFFFAOYSA-N 0 0 397.352 5.952 50 0 GKAARN Cc1ccc2c(c1)CCCN2C(=O)c1sc2ccc3ccccc3c2c1Cl ZINC000023458608 207277911 /nfs/dbraw/zinc/27/79/11/207277911.db2.gz ZOLLIPRKKMVEFB-UHFFFAOYSA-N 0 0 391.923 6.609 50 0 GKAARN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)C1 ZINC000023439998 207277925 /nfs/dbraw/zinc/27/79/25/207277925.db2.gz OUCADHMRPMFWCA-SFHVURJKSA-N 0 0 395.506 5.769 50 0 GKAARN 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Cc1ccccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)NC(C)C)n2c1 ZINC000096294113 208304546 /nfs/dbraw/zinc/30/45/46/208304546.db2.gz ARDIJOIYQGGLJY-UHFFFAOYSA-N 0 0 397.522 5.434 50 0 GKAARN CC[C@H](C)[C@@H](NC(=O)C1CCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291969 208304929 /nfs/dbraw/zinc/30/49/29/208304929.db2.gz VDMPMXLEYXAXIM-BLLLJJGKSA-N 0 0 395.425 5.149 50 0 GKAARN CC[C@H](C)[C@@H](NC(=O)CC(C)C)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000096293328 208305074 /nfs/dbraw/zinc/30/50/74/208305074.db2.gz WIUSOQNVRQZQGT-BLLLJJGKSA-N 0 0 383.414 5.005 50 0 GKAARN C/C=C\c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1OC ZINC000096925954 208329238 /nfs/dbraw/zinc/32/92/38/208329238.db2.gz RAYVBBRTKXSTCV-PIZKADEWSA-N 0 0 396.512 5.180 50 0 GKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)/C=C\c2ccco2)c1 ZINC000096936110 208331240 /nfs/dbraw/zinc/33/12/40/208331240.db2.gz HIGVVKWLCLOEIC-HWOXTHGCSA-N 0 0 388.467 5.041 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(-c3c(C)c4ccccc4n3CC)[nH]n2)cc1 ZINC000096400272 208316936 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c1ccc(C2=NC3(CCCCCCCCCCC3)N3[C@H]2[C@@H]3c2ccccc2)cc1 ZINC000025760396 210486147 /nfs/dbraw/zinc/48/61/47/210486147.db2.gz QKUHRMSTHCNTAR-YTUWVCBBSA-N 0 0 386.583 6.916 50 0 GKAARN Fc1cccc(Cl)c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025781917 210485483 /nfs/dbraw/zinc/48/54/83/210485483.db2.gz VHRFZXJWYYNVMM-DENIHFKCSA-N 0 0 378.834 5.721 50 0 GKAARN O=C(c1ccc(Cl)o1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000097996410 208365641 /nfs/dbraw/zinc/36/56/41/208365641.db2.gz FSBSIIGISWJQDA-DAXSKMNVSA-N 0 0 395.842 5.064 50 0 GKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000100702800 208377795 /nfs/dbraw/zinc/37/77/95/208377795.db2.gz PDHQBASMXKWODR-REWPJTCUSA-N 0 0 388.854 5.093 50 0 GKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@]32CCCC(=O)C2)cc1 ZINC000100671128 208377841 /nfs/dbraw/zinc/37/78/41/208377841.db2.gz FVPAJTUVQGPZMX-RBBKRZOGSA-N 0 0 380.875 5.514 50 0 GKAARN Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000024093505 210459879 /nfs/dbraw/zinc/45/98/79/210459879.db2.gz UKRHCAJJRKADDH-UHFFFAOYSA-N 0 0 389.480 5.263 50 0 GKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100708309 208379692 /nfs/dbraw/zinc/37/96/92/208379692.db2.gz DLSXXFHEJHUUOX-UNMCSNQZSA-N 0 0 375.859 5.286 50 0 GKAARN FC(F)(F)c1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 ZINC000012204370 210457222 /nfs/dbraw/zinc/45/72/22/210457222.db2.gz MUZHSZPGGGEVLT-NRFANRHFSA-N 0 0 396.416 5.058 50 0 GKAARN COc1cc(/C=C/c2nc3cc(C)ccc3s2)ccc1OCc1ccncc1 ZINC000024829385 210471261 /nfs/dbraw/zinc/47/12/61/210471261.db2.gz AJJYPJLFVORIOA-VMPITWQZSA-N 0 0 388.492 5.758 50 0 GKAARN Cc1cccc(C(=O)Nc2cc3c4c(c2)[C@@H]2CCC[C@@H]2CN4C[C@@H]2CCC[C@@H]32)c1 ZINC000101150415 208387834 /nfs/dbraw/zinc/38/78/34/208387834.db2.gz KSSSRFZOZNQEAX-NPDDRXJXSA-N 0 0 386.539 5.848 50 0 GKAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCCC1)c1ccc(Cl)cc1 ZINC000101096015 208387868 /nfs/dbraw/zinc/38/78/68/208387868.db2.gz HSHQOPXXTCXDMK-UHFFFAOYSA-N 0 0 396.874 5.443 50 0 GKAARN C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)c1c[nH]c2ccccc21 ZINC000024631871 210468057 /nfs/dbraw/zinc/46/80/57/210468057.db2.gz QZMBIZBLUZYPIF-GFCCVEGCSA-N 0 0 386.546 5.128 50 0 GKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000100424347 208375597 /nfs/dbraw/zinc/37/55/97/208375597.db2.gz QEPWEMZUNWOODD-AFMDSPMNSA-N 0 0 396.490 6.324 50 0 GKAARN O=C1CC(c2cccs2)=Nc2ccccc2N1Cc1c(F)cccc1Cl ZINC000102300901 208403639 /nfs/dbraw/zinc/40/36/39/208403639.db2.gz CTMNDKFQLBCLCO-UHFFFAOYSA-N 0 0 384.863 5.598 50 0 GKAARN CC(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ncnn32)cc1 ZINC000102402267 208404264 /nfs/dbraw/zinc/40/42/64/208404264.db2.gz GAUUKOAFNLRMAB-KKSFZXQISA-N 0 0 390.512 5.528 50 0 GKAARN O=C(Nc1ccccc1F)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023317942 210440294 /nfs/dbraw/zinc/44/02/94/210440294.db2.gz OOIWDXDAXKMFHV-NRFANRHFSA-N 0 0 380.850 5.659 50 0 GKAARN CC[C@@H](C)CC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023315346 210440307 /nfs/dbraw/zinc/44/03/07/210440307.db2.gz NVZRGHCYOGVHQM-QGZVFWFLSA-N 0 0 393.506 5.442 50 0 GKAARN O=C(c1cc(F)ccc1F)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023327933 210440138 /nfs/dbraw/zinc/44/01/38/210440138.db2.gz IXNQEOVVZZWOCM-OAQYLSRUSA-N 0 0 383.825 5.406 50 0 GKAARN c1ccc(C2=Nc3ccccc3N=C(N3CCC(c4ccccc4)CC3)C2)cc1 ZINC000101362141 208393147 /nfs/dbraw/zinc/39/31/47/208393147.db2.gz DASLMGINVBEYEJ-UHFFFAOYSA-N 0 0 379.507 6.121 50 0 GKAARN CCOc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1 ZINC000101424615 208393747 /nfs/dbraw/zinc/39/37/47/208393747.db2.gz CCAOTKIHFLARJJ-XMMPIXPASA-N 0 0 385.488 6.336 50 0 GKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)on2)cc1 ZINC000022671922 210421136 /nfs/dbraw/zinc/42/11/36/210421136.db2.gz LUWQBVXVGKNZAY-HNNXBMFYSA-N 0 0 378.472 5.139 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)C1CCCCC1 ZINC000022648990 210421060 /nfs/dbraw/zinc/42/10/60/210421060.db2.gz MCUZOQOJDRBNNC-HNNXBMFYSA-N 0 0 385.529 5.595 50 0 GKAARN CCCCC[C@H](C)NC(=O)c1cncn1-c1ccc(-c2ccccc2C)cc1 ZINC000022670887 210420115 /nfs/dbraw/zinc/42/01/15/210420115.db2.gz KSIAGFXWWQNNJK-IBGZPJMESA-N 0 0 375.516 5.546 50 0 GKAARN C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1 ZINC000022621498 210418683 /nfs/dbraw/zinc/41/86/83/210418683.db2.gz HVRPMXRNYHZZLC-PSASIEDQSA-N 0 0 393.236 5.037 50 0 GKAARN Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000102751022 208410789 /nfs/dbraw/zinc/41/07/89/208410789.db2.gz IEUXETWYVNUJQB-FKIZINRSSA-N 0 0 378.453 5.358 50 0 GKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1 ZINC000102741434 208410934 /nfs/dbraw/zinc/41/09/34/208410934.db2.gz SWAXQWSLWNJKEL-QKKBWIMNSA-N 0 0 392.480 5.661 50 0 GKAARN Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000102741851 208411906 /nfs/dbraw/zinc/41/19/06/208411906.db2.gz PGSHIMPSCWZYBA-YJYMSZOUSA-N 0 0 378.453 5.358 50 0 GKAARN Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccco1)c1ccc(C)cc1 ZINC000022476746 210415512 /nfs/dbraw/zinc/41/55/12/210415512.db2.gz DFCZSBLUTSZHBT-UHFFFAOYSA-N 0 0 392.480 5.389 50 0 GKAARN O=C(c1c(F)cccc1F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022352752 210411328 /nfs/dbraw/zinc/41/13/28/210411328.db2.gz UMWFDRIMVOXZAX-UHFFFAOYSA-N 0 0 383.360 5.079 50 0 GKAARN CCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000022239169 210407162 /nfs/dbraw/zinc/40/71/62/210407162.db2.gz PSVOMXMYTLHKBU-QINSGFPZSA-N 0 0 379.891 5.074 50 0 GKAARN CSc1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 ZINC000022007358 210404015 /nfs/dbraw/zinc/40/40/15/210404015.db2.gz ZGJSTMNJLIBMLY-UHFFFAOYSA-N 0 0 397.500 5.105 50 0 GKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(NC4CCCCC4)n3)o2)c1 ZINC000021942945 210402604 /nfs/dbraw/zinc/40/26/04/210402604.db2.gz PHMDQUKWZUTNEP-UHFFFAOYSA-N 0 0 385.471 5.400 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1C(C)C ZINC000021889693 210399503 /nfs/dbraw/zinc/39/95/03/210399503.db2.gz DQCDGEYHMWTZIJ-QFIPXVFZSA-N 0 0 393.918 6.184 50 0 GKAARN CC(C)NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021888773 210399059 /nfs/dbraw/zinc/39/90/59/210399059.db2.gz BMMUIIMPFSZVHF-OAQYLSRUSA-N 0 0 379.891 5.154 50 0 GKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021890148 210399204 /nfs/dbraw/zinc/39/92/04/210399204.db2.gz VFFVTJKBZFAXRI-GOSISDBHSA-N 0 0 399.416 5.995 50 0 GKAARN O=C1C[C@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000021728733 210392097 /nfs/dbraw/zinc/39/20/97/210392097.db2.gz ARHGKJMPNKMPFG-HXUWFJFHSA-N 0 0 383.426 5.153 50 0 GKAARN O=C(Cc1cccs1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021715469 210389278 /nfs/dbraw/zinc/38/92/78/210389278.db2.gz DLWZBSCZEINTOJ-QHCPKHFHSA-N 0 0 390.483 5.085 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c(C)c1 ZINC000021704947 210388987 /nfs/dbraw/zinc/38/89/87/210388987.db2.gz VQKFFRNIIRUXRA-UHFFFAOYSA-N 0 0 398.510 5.619 50 0 GKAARN COc1ccc(OC)c(CNc2ncnc3scc(-c4ccc(F)cc4)c32)c1 ZINC000021643063 210387798 /nfs/dbraw/zinc/38/77/98/210387798.db2.gz RODJCYLKDKLQRT-UHFFFAOYSA-N 0 0 395.459 5.127 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1Cl ZINC000021870268 210397330 /nfs/dbraw/zinc/39/73/30/210397330.db2.gz JLSUUTUXODJBSP-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(Cl)c1 ZINC000044087298 208443403 /nfs/dbraw/zinc/44/34/03/208443403.db2.gz PCFFRTPORIJLNV-UHFFFAOYSA-N 0 0 386.904 5.156 50 0 GKAARN Cc1cc(-c2csc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)ccc1F ZINC000021795929 210393872 /nfs/dbraw/zinc/39/38/72/210393872.db2.gz VHPYUXULGBZQEZ-UHFFFAOYSA-N 0 0 384.863 5.274 50 0 GKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3cccc(F)c3)cc12 ZINC000021116093 210378097 /nfs/dbraw/zinc/37/80/97/210378097.db2.gz QMHVLSHUQUITEX-UHFFFAOYSA-N 0 0 377.463 5.171 50 0 GKAARN Brc1ccc(-c2nnc(SCc3cccc4ccccc43)o2)cc1 ZINC000021146989 210377905 /nfs/dbraw/zinc/37/79/05/210377905.db2.gz UZJLTWLNRUAYES-UHFFFAOYSA-N 0 0 397.297 5.945 50 0 GKAARN Cc1ccc(COc2cc(C(=O)NCc3ccccc3C)c3ccccc3n2)cc1 ZINC000021094478 210376242 /nfs/dbraw/zinc/37/62/42/210376242.db2.gz ZNUOPVASHPAOHK-UHFFFAOYSA-N 0 0 396.490 5.361 50 0 GKAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1C ZINC000021020564 210375500 /nfs/dbraw/zinc/37/55/00/210375500.db2.gz CWFOIGUKNOYQKC-UHFFFAOYSA-N 0 0 384.483 5.142 50 0 GKAARN O=C(CCCc1cccs1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000021335801 210382126 /nfs/dbraw/zinc/38/21/26/210382126.db2.gz KRJSGYONMDEPEA-UHFFFAOYSA-N 0 0 378.522 5.986 50 0 GKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1cc(F)cc(F)c1 ZINC000021358083 210381907 /nfs/dbraw/zinc/38/19/07/210381907.db2.gz NDUQCINIMDOACB-UHFFFAOYSA-N 0 0 392.365 5.326 50 0 GKAARN CC(C)CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000021167711 210380745 /nfs/dbraw/zinc/38/07/45/210380745.db2.gz HNUXIEBPVAMYKD-INIZCTEOSA-N 0 0 381.907 5.256 50 0 GKAARN Cc1ccccc1-n1ncc(C(=O)Nc2ccc3ncccc3c2)c1C(F)(F)F ZINC000130490660 208476326 /nfs/dbraw/zinc/47/63/26/208476326.db2.gz CKVSJFLEDKMYJP-UHFFFAOYSA-N 0 0 396.372 5.000 50 0 GKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)NC4CCC(C)CC4)oc3ccc2O1 ZINC000021166330 210380505 /nfs/dbraw/zinc/38/05/05/210380505.db2.gz MVHPFXOHOHUBAT-QQTLNFAQSA-N 0 0 383.488 5.184 50 0 GKAARN COc1cc(OC)c(NC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1Cl ZINC000020998909 210373515 /nfs/dbraw/zinc/37/35/15/210373515.db2.gz SMHROYDPBCPNON-LJQANCHMSA-N 0 0 398.890 5.085 50 0 GKAARN Fc1ccc([C@H](NCCC2=CCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988531 210373150 /nfs/dbraw/zinc/37/31/50/210373150.db2.gz NFJDVGUSCASTNC-NRFANRHFSA-N 0 0 377.463 5.445 50 0 GKAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1ccc(C)cc1C ZINC000020979194 210370258 /nfs/dbraw/zinc/37/02/58/210370258.db2.gz JWTQFCATSTWUGF-UHFFFAOYSA-N 0 0 384.483 5.149 50 0 GKAARN CC(C)c1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O ZINC000000954156 208488946 /nfs/dbraw/zinc/48/89/46/208488946.db2.gz CELKYISFAWOPCX-UHFFFAOYSA-N 0 0 390.391 5.521 50 0 GKAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(C)cc1C)SCC(=O)N2 ZINC000020891836 210366432 /nfs/dbraw/zinc/36/64/32/210366432.db2.gz PJKPIELJTROZQF-FQEVSTJZSA-N 0 0 397.931 5.226 50 0 GKAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(C)cc1C)SCC(=O)N2 ZINC000020891832 210366053 /nfs/dbraw/zinc/36/60/53/210366053.db2.gz PWKVVEOOOJAKKH-HXUWFJFHSA-N 0 0 397.931 5.226 50 0 GKAARN COc1ccc(-n2nc(-c3ccccc3)c3cnc4c(OC)cccc4c32)cc1 ZINC000021017298 210374229 /nfs/dbraw/zinc/37/42/29/210374229.db2.gz LFTVPVXSRVHFTK-UHFFFAOYSA-N 0 0 381.435 5.258 50 0 GKAARN Cc1ccc(OCc2ccccc2)c(/C=C2/N=C(c3ccccc3C)OC2=O)c1 ZINC000002823285 208507062 /nfs/dbraw/zinc/50/70/62/208507062.db2.gz WKJLPTUJWCIOIZ-PXLXIMEGSA-N 0 0 383.447 5.227 50 0 GKAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002721100 208507471 /nfs/dbraw/zinc/50/74/71/208507471.db2.gz TWYQPUCFWBHVEH-UHFFFAOYSA-N 0 0 386.520 5.665 50 0 GKAARN Cc1cccc(NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)c1 ZINC000003194207 208509419 /nfs/dbraw/zinc/50/94/19/208509419.db2.gz IXSLPRWFCGYAQM-UHFFFAOYSA-N 0 0 384.451 6.306 50 0 GKAARN O=C(COc1ccc(Br)cc1)Oc1ccc(Oc2ccccc2)cc1 ZINC000003236079 208511668 /nfs/dbraw/zinc/51/16/68/208511668.db2.gz JUENHBDVGAVFKX-UHFFFAOYSA-N 0 0 399.240 5.226 50 0 GKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000020808358 210363375 /nfs/dbraw/zinc/36/33/75/210363375.db2.gz LPBVOUFTSVNJFT-UHFFFAOYSA-N 0 0 399.494 5.825 50 0 GKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000020808361 210363005 /nfs/dbraw/zinc/36/30/05/210363005.db2.gz FQQYOWPHAQIEJL-UKTHLTGXSA-N 0 0 387.870 5.844 50 0 GKAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4)cs2)cc1OC ZINC000003338635 208512465 /nfs/dbraw/zinc/51/24/65/208512465.db2.gz GFFDLIKNAJBKGX-UHFFFAOYSA-N 0 0 399.515 6.456 50 0 GKAARN COc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(OC)c1 ZINC000001507958 208498649 /nfs/dbraw/zinc/49/86/49/208498649.db2.gz COZCFITVIGGVEA-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN COc1ccc([C@@H](CC(=O)Nc2nc3c(cccc3C)s2)n2cccc2)cc1 ZINC000020760902 210361329 /nfs/dbraw/zinc/36/13/29/210361329.db2.gz LGMUBFCEKPEFOC-GOSISDBHSA-N 0 0 391.496 5.033 50 0 GKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000001982116 208499105 /nfs/dbraw/zinc/49/91/05/208499105.db2.gz YJVBGNNQHLFWQE-LJQANCHMSA-N 0 0 397.515 5.447 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc5ccccc54)c3)oc2c(C)c1 ZINC000002498264 208502612 /nfs/dbraw/zinc/50/26/12/208502612.db2.gz MXHOEIBPZJYNBK-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN CC(C)CN(CC(C)C)C1=N/C(=C/c2ccccc2)C(=O)N1c1ccccc1 ZINC000002179755 208502708 /nfs/dbraw/zinc/50/27/08/208502708.db2.gz LQJXTCDWLHHGGC-PXLXIMEGSA-N 0 0 375.516 5.044 50 0 GKAARN O=C(NC1CCCCCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728623 210357451 /nfs/dbraw/zinc/35/74/51/210357451.db2.gz DXGMACLMACXTHW-RCCKNPSSSA-N 0 0 392.524 5.225 50 0 GKAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1c(F)cccc1Cl ZINC000002659933 208505314 /nfs/dbraw/zinc/50/53/14/208505314.db2.gz CKTWIOYSBZEOOQ-UHFFFAOYSA-N 0 0 396.565 5.513 50 0 GKAARN CC(C)Oc1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000003018223 208507041 /nfs/dbraw/zinc/50/70/41/208507041.db2.gz WKTACKCSZBMFLT-UHFFFAOYSA-N 0 0 383.384 6.152 50 0 GKAARN CC(C)n1c2nc(-c3cccc4ccccc43)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615380 210353201 /nfs/dbraw/zinc/35/32/01/210353201.db2.gz WRXCUVWOIPQJPC-UHFFFAOYSA-N 0 0 397.450 5.793 50 0 GKAARN CC1=C[C@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@H](c3ccco3)[C@H]1[C@H]2C ZINC000004023016 208533182 /nfs/dbraw/zinc/53/31/82/208533182.db2.gz UBWSSQOTCAHVGX-CGNYWNNHSA-N 0 0 387.520 5.245 50 0 biogenic GKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)s1 ZINC000020603335 210350718 /nfs/dbraw/zinc/35/07/18/210350718.db2.gz KPTQRTNJJXBPJL-UHFFFAOYSA-N 0 0 399.463 5.345 50 0 GKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3cccs3)cc(C(F)F)c12 ZINC000020602760 210350043 /nfs/dbraw/zinc/35/00/43/210350043.db2.gz SPNUNUDFCNPRGD-UHFFFAOYSA-N 0 0 389.858 6.108 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020602997 210350101 /nfs/dbraw/zinc/35/01/01/210350101.db2.gz PUUCXJJKNUVQCI-UHFFFAOYSA-N 0 0 393.412 6.350 50 0 GKAARN Cc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c(Br)c1 ZINC000020575367 210347974 /nfs/dbraw/zinc/34/79/74/210347974.db2.gz ACQOJPAAQOVTIZ-UHFFFAOYSA-N 0 0 380.245 5.039 50 0 GKAARN Cc1ccc([C@@H](CC(=O)Nc2cc(C)ccc2C)N2Cc3ccccc3C2=O)cc1 ZINC000020561854 210347521 /nfs/dbraw/zinc/34/75/21/210347521.db2.gz RTTRMXHYSCNSPA-XMMPIXPASA-N 0 0 398.506 5.338 50 0 GKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(C)cc2)cc1 ZINC000020529074 210343564 /nfs/dbraw/zinc/34/35/64/210343564.db2.gz RBAQUPUEENWLNV-AREMUKBSSA-N 0 0 382.507 5.633 50 0 biogenic,in-vitro GKAARN Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@H]1CCCc2ccccc21)CO3 ZINC000020502555 210342852 /nfs/dbraw/zinc/34/28/52/210342852.db2.gz LGHOIKHZKBJTHV-FQEVSTJZSA-N 0 0 395.886 5.293 50 0 GKAARN CSc1nc2ccc3nc(NC(=O)c4ccc(C)c(C)c4)sc3c2s1 ZINC000004134757 208536858 /nfs/dbraw/zinc/53/68/58/208536858.db2.gz LNJCDHMYZLPKNS-UHFFFAOYSA-N 0 0 385.539 5.497 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1cnc(NC2CCCCC2)cc1C(F)(F)F ZINC000020458661 210337500 /nfs/dbraw/zinc/33/75/00/210337500.db2.gz YHVQSHWGBXZHAE-UHFFFAOYSA-N 0 0 391.437 5.714 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2ccc(F)cc2)o1 ZINC000004538710 208545693 /nfs/dbraw/zinc/54/56/93/208545693.db2.gz LXZKJKUGVCXBJJ-UHFFFAOYSA-N 0 0 383.728 6.010 50 0 GKAARN Cc1c(Cl)cc2nc(SCc3cc(Cl)ccc3Cl)oc2c1Cl ZINC000020295425 210327680 /nfs/dbraw/zinc/32/76/80/210327680.db2.gz CDFSDXGMSJAHQZ-UHFFFAOYSA-N 0 0 393.122 7.042 50 0 GKAARN COc1cccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c1 ZINC000020274480 210326799 /nfs/dbraw/zinc/32/67/99/210326799.db2.gz LUXKAYCKXYJUAL-FQEVSTJZSA-N 0 0 391.858 5.600 50 0 GKAARN FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)c2cccc(Cl)c2n1 ZINC000020443811 210334045 /nfs/dbraw/zinc/33/40/45/210334045.db2.gz BDKPEFNBMNDHMU-UHFFFAOYSA-N 0 0 391.824 5.234 50 0 GKAARN CC(=O)c1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 ZINC000020096539 210316862 /nfs/dbraw/zinc/31/68/62/210316862.db2.gz YDMVBZYHDNSTEP-UHFFFAOYSA-N 0 0 386.289 5.102 50 0 GKAARN COc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)nc2c1 ZINC000020103006 210316302 /nfs/dbraw/zinc/31/63/02/210316302.db2.gz OGVPIDBOMWWMEJ-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3c4ccccc4C[C@@H]3C)nc2C1 ZINC000020102026 210316214 /nfs/dbraw/zinc/31/62/14/210316214.db2.gz OVAVKXRVQKVFDD-LPHOPBHVSA-N 0 0 383.495 5.089 50 0 GKAARN COc1cccc2c1O[C@H](C1CCCCC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000019833822 210302610 /nfs/dbraw/zinc/30/26/10/210302610.db2.gz PXNUSHKVIZZUSE-NFBKMPQASA-N 0 0 396.918 5.799 50 0 GKAARN COc1cccc2c1O[C@H](C1CCCCC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000019833820 210302628 /nfs/dbraw/zinc/30/26/28/210302628.db2.gz PXNUSHKVIZZUSE-NZQKXSOJSA-N 0 0 396.918 5.799 50 0 GKAARN COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccco2)cc1 ZINC000019824422 210300152 /nfs/dbraw/zinc/30/01/52/210300152.db2.gz ZDGBVSVJUZMLRP-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2OC(C)C)s1 ZINC000019819687 210300101 /nfs/dbraw/zinc/30/01/01/210300101.db2.gz YNSPMYDPZVITLT-UHFFFAOYSA-N 0 0 386.542 5.539 50 0 GKAARN Fc1ccc(-c2csc(=S)n2CN2CCC(c3ccccc3)CC2)cc1 ZINC000019933421 210308547 /nfs/dbraw/zinc/30/85/47/210308547.db2.gz ZJLOHKOFOBZEDR-UHFFFAOYSA-N 0 0 384.545 5.922 50 0 GKAARN Cc1cccc(NC(=O)N2[C@@H](c3ccccc3)CC(=O)[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000019897540 210306871 /nfs/dbraw/zinc/30/68/71/210306871.db2.gz BUHGFSNVBGDUNT-RZPHLTDDSA-N 0 0 398.506 5.920 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc(Br)cc1 ZINC000019879411 210305369 /nfs/dbraw/zinc/30/53/69/210305369.db2.gz IRADSKWXOJBRMS-OAQYLSRUSA-N 0 0 392.300 5.835 50 0 GKAARN Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](COc2ccccc2F)C1 ZINC000019791348 210295607 /nfs/dbraw/zinc/29/56/07/210295607.db2.gz CYERHLGACCRSJA-INIZCTEOSA-N 0 0 386.492 5.142 50 0 GKAARN Cc1oc(-c2cccc3ccccc32)nc1CN1CCCC[C@@H]1c1ccccn1 ZINC000019773311 210295473 /nfs/dbraw/zinc/29/54/73/210295473.db2.gz NFXXUMPPIDATDW-XMMPIXPASA-N 0 0 383.495 5.925 50 0 GKAARN C[C@H](CNc1ccc(OCCC2CCCCC2)cc1)Oc1ccccc1Cl ZINC000019738567 210292110 /nfs/dbraw/zinc/29/21/10/210292110.db2.gz IYRXYTIMCWHTDF-GOSISDBHSA-N 0 0 387.951 6.569 50 0 GKAARN C[C@@H](CNc1cccc(OCCOc2ccccc2)c1)Oc1ccccc1Cl ZINC000019738409 210290683 /nfs/dbraw/zinc/29/06/83/210290683.db2.gz LNBAGNMZUFYZKJ-SFHVURJKSA-N 0 0 397.902 5.677 50 0 GKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C1CCCC1 ZINC000005106900 208663520 /nfs/dbraw/zinc/66/35/20/208663520.db2.gz REMSTHZQJWDJFH-UHFFFAOYSA-N 0 0 392.455 5.213 50 0 GKAARN O=C(CCSc1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000005076118 208665503 /nfs/dbraw/zinc/66/55/03/208665503.db2.gz WRQCJKDOVLMPQT-UHFFFAOYSA-N 0 0 391.471 5.490 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000006344873 208677007 /nfs/dbraw/zinc/67/70/07/208677007.db2.gz WSGAHWGBRZJJSG-UHFFFAOYSA-N 0 0 391.279 5.039 50 0 GKAARN COc1cccc2cc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)oc21 ZINC000008960420 208701602 /nfs/dbraw/zinc/70/16/02/208701602.db2.gz XDJKQVCFRQBWKD-UHFFFAOYSA-N 0 0 383.407 5.237 50 0 GKAARN O=C(N[C@H]1CCOc2ccccc21)c1oc2ccccc2c1COc1ccccc1 ZINC000007217154 208686483 /nfs/dbraw/zinc/68/64/83/208686483.db2.gz NDTHHNFUENYXQP-NRFANRHFSA-N 0 0 399.446 5.265 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000007007216 208686568 /nfs/dbraw/zinc/68/65/68/208686568.db2.gz VHWNCMUJPQDNGY-UHFFFAOYSA-N 0 0 398.384 5.583 50 0 GKAARN Clc1ccc(-c2nc3c(c(-c4ccc(Cl)cc4)n2)CCCCCC3)cc1 ZINC000007078602 208686787 /nfs/dbraw/zinc/68/67/87/208686787.db2.gz VATJHJUELAACIG-UHFFFAOYSA-N 0 0 383.322 6.776 50 0 GKAARN CC(C)Sc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000007597900 208690582 /nfs/dbraw/zinc/69/05/82/208690582.db2.gz GRAJKAZRGIHTCP-UHFFFAOYSA-N 0 0 398.509 5.292 50 0 GKAARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1sc2ccccc2c1Cl ZINC000100837231 208707750 /nfs/dbraw/zinc/70/77/50/208707750.db2.gz OQQRGRILVDTJPM-JZJYNLBNSA-N 0 0 393.320 5.502 50 0 GKAARN COC(=O)c1ccc(C(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 ZINC000010694904 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O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1SCC(F)(F)F ZINC000022522722 208843318 /nfs/dbraw/zinc/84/33/18/208843318.db2.gz CKFRXVSOIGTHCF-UHFFFAOYSA-N 0 0 380.313 5.007 50 0 GKAARN CCc1cccc(CC)c1NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000000888371 220463690 /nfs/dbraw/zinc/46/36/90/220463690.db2.gz AXKGZCQKIUMBLI-UHFFFAOYSA-N 0 0 389.495 5.408 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000728435 220454961 /nfs/dbraw/zinc/45/49/61/220454961.db2.gz PHGKOFPKPDVBHW-UHFFFAOYSA-N 0 0 395.673 6.171 50 0 GKAARN O=C1C[C@@H](c2ccccc2OCc2ccccc2)c2ccc3ccccc3c2N1 ZINC000000727716 220455912 /nfs/dbraw/zinc/45/59/12/220455912.db2.gz XXZKEPREBIVFNG-QHCPKHFHSA-N 0 0 379.459 5.893 50 0 GKAARN O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)c1ccccc1 ZINC000000977033 220472529 /nfs/dbraw/zinc/47/25/29/220472529.db2.gz HFLUPVSYWBUROI-UHFFFAOYSA-N 0 0 391.540 5.349 50 0 GKAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000058003261 208854193 /nfs/dbraw/zinc/85/41/93/208854193.db2.gz 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COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002999122 220595356 /nfs/dbraw/zinc/59/53/56/220595356.db2.gz YYMAZBXRXNCFIF-UHFFFAOYSA-N 0 0 379.765 5.773 50 0 GKAARN CCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=N[C@@H](C)CS1 ZINC000003259386 220617425 /nfs/dbraw/zinc/61/74/25/220617425.db2.gz HQYDKFFPSWZXSM-ZDUSSCGKSA-N 0 0 389.908 5.269 50 0 GKAARN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(C)cc4)OC3=O)cc2)cc1 ZINC000003016887 220596177 /nfs/dbraw/zinc/59/61/77/220596177.db2.gz UVQSRHHOJVIKFL-HAHDFKILSA-N 0 0 383.447 5.227 50 0 GKAARN COc1ccc(-c2cc(C(=O)NCCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000003037544 220600085 /nfs/dbraw/zinc/60/00/85/220600085.db2.gz HTTKKVVEASOFKX-UHFFFAOYSA-N 0 0 396.490 5.191 50 0 biogenic GKAARN S=C(Nc1cccc2ccccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000003099850 220603794 /nfs/dbraw/zinc/60/37/94/220603794.db2.gz LPXAVTQPRKMUNC-UHFFFAOYSA-N 0 0 382.532 6.239 50 0 GKAARN O=C(N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000003092787 220603922 /nfs/dbraw/zinc/60/39/22/220603922.db2.gz IDAMQNOJQMDLEF-ZDUSSCGKSA-N 0 0 381.061 5.320 50 0 GKAARN Cc1cccc(SCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000003128413 220605350 /nfs/dbraw/zinc/60/53/50/220605350.db2.gz GFOMWSZGHNQJFX-UHFFFAOYSA-N 0 0 389.347 6.330 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(Cl)cc1Cl ZINC000003131789 220605637 /nfs/dbraw/zinc/60/56/37/220605637.db2.gz XHIHEXGBFUFHSJ-MRVPVSSYSA-N 0 0 380.054 5.673 50 0 GKAARN CCC(NC(=O)Nc1c(Cl)cccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000003189009 220608046 /nfs/dbraw/zinc/60/80/46/220608046.db2.gz STZFKOAFYCKBAQ-UHFFFAOYSA-N 0 0 383.119 5.388 50 0 GKAARN CCc1ccc(N[C@@H](CC(=O)c2ccc(CC)cc2)c2ccc(Cl)cc2)cc1 ZINC000003193953 220608313 /nfs/dbraw/zinc/60/83/13/220608313.db2.gz DCVWQZWRLKOHMD-DEOSSOPVSA-N 0 0 391.942 6.891 50 0 GKAARN COc1ccccc1NC(=S)Nc1ccc(N(c2ccccc2)C(C)C)cc1 ZINC000003214423 220610652 /nfs/dbraw/zinc/61/06/52/220610652.db2.gz TWKNNTTWJKCHLB-UHFFFAOYSA-N 0 0 391.540 6.051 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000003221052 220612722 /nfs/dbraw/zinc/61/27/22/220612722.db2.gz RGVVCXZBJPQTKI-UHFFFAOYSA-N 0 0 389.495 5.829 50 0 GKAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C(C)C)s2)cc1 ZINC000003249933 220614910 /nfs/dbraw/zinc/61/49/10/220614910.db2.gz KENDNEQFSXLESS-UHFFFAOYSA-N 0 0 398.557 5.444 50 0 GKAARN Cn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003341722 220630097 /nfs/dbraw/zinc/63/00/97/220630097.db2.gz BNUMVCDIUSHWEZ-HSZRJFAPSA-N 0 0 399.519 5.122 50 0 GKAARN O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003343019 220631629 /nfs/dbraw/zinc/63/16/29/220631629.db2.gz HSERQXYGQZWGLM-CCEZHUSRSA-N 0 0 376.839 5.446 50 0 GKAARN Cc1sc2[nH]c([C@@H](C)Sc3nc(-c4ccccc4)cs3)nc(=O)c2c1C ZINC000003405874 220639386 /nfs/dbraw/zinc/63/93/86/220639386.db2.gz SCPJERCWIOUOSY-GFCCVEGCSA-N 0 0 399.566 5.578 50 0 GKAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3cccc(F)c3)cc12 ZINC000003302928 220625258 /nfs/dbraw/zinc/62/52/58/220625258.db2.gz HRFZYKFJLLPMFQ-UHFFFAOYSA-N 0 0 399.878 5.499 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1OCC ZINC000003408078 220640667 /nfs/dbraw/zinc/64/06/67/220640667.db2.gz OFQFNQWWYATAPS-UHFFFAOYSA-N 0 0 398.684 5.152 50 0 GKAARN C[C@@H]1CSC(N(C(=O)Cc2cccc3ccccc32)c2ccc(Cl)cc2)=N1 ZINC000003425274 220643577 /nfs/dbraw/zinc/64/35/77/220643577.db2.gz CQIGCRJRGJCTJR-OAHLLOKOSA-N 0 0 394.927 5.560 50 0 GKAARN CCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2CC)cc1OCC ZINC000003431547 220643655 /nfs/dbraw/zinc/64/36/55/220643655.db2.gz CWLAPMPZJZVOHO-UHFFFAOYSA-N 0 0 375.896 5.651 50 0 GKAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)N1c2ccccc2C[C@H]1C ZINC000003447123 220644800 /nfs/dbraw/zinc/64/48/00/220644800.db2.gz VYNACAWZBIRIAG-ZIAGYGMSSA-N 0 0 398.528 5.408 50 0 GKAARN CCN(CC)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 ZINC000003438940 220646034 /nfs/dbraw/zinc/64/60/34/220646034.db2.gz VJDSUDCNRQWTPD-UHFFFAOYSA-N 0 0 377.513 5.331 50 0 GKAARN Cn1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 ZINC000003581814 220657995 /nfs/dbraw/zinc/65/79/95/220657995.db2.gz PYSRRLFPSYZFQG-UHFFFAOYSA-N 0 0 398.837 5.581 50 0 GKAARN O=C(c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)N1CCCCC1 ZINC000003658368 220662799 /nfs/dbraw/zinc/66/27/99/220662799.db2.gz USSYDFYKBKRMOR-UHFFFAOYSA-N 0 0 382.916 5.666 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccccc1F ZINC000003655569 220662964 /nfs/dbraw/zinc/66/29/64/220662964.db2.gz MHQJLAIDOISBPU-UHFFFAOYSA-N 0 0 377.346 5.194 50 0 GKAARN Cc1ccc(/C=C/c2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000004002703 220670952 /nfs/dbraw/zinc/67/09/52/220670952.db2.gz WMAWUEVFBCPWKI-BUHFOSPRSA-N 0 0 392.424 6.582 50 0 GKAARN CCC(=O)N(CC[C@]1(C(C)C)CCO[C@](C)(CC)C1)Cc1ccc(OC)cc1 ZINC000004073440 220676380 /nfs/dbraw/zinc/67/63/80/220676380.db2.gz AIRQQGBZEVXKQV-RPWUZVMVSA-N 0 0 389.580 5.445 50 0 biogenic GKAARN Cc1nc2c(-c3cccs3)cnn2c(C)c1Cc1cccc(C(F)(F)F)c1 ZINC000004072993 220676738 /nfs/dbraw/zinc/67/67/38/220676738.db2.gz LWFLQWDXFOMBSZ-UHFFFAOYSA-N 0 0 387.430 5.684 50 0 GKAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(-c2ccccc2)cc1 ZINC000004070834 220676981 /nfs/dbraw/zinc/67/69/81/220676981.db2.gz XDQGPYJNYTWLFC-UHFFFAOYSA-N 0 0 382.488 5.828 50 0 GKAARN O=C(c1cccs1)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000004273265 220698405 /nfs/dbraw/zinc/69/84/05/220698405.db2.gz LVVZETXIZRYSLS-UHFFFAOYSA-N 0 0 385.901 5.253 50 0 GKAARN ClC(Cl)=Cn1sc(=Nc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000334157804 209096192 /nfs/dbraw/zinc/09/61/92/209096192.db2.gz KDWLNGJTKXATOT-UHFFFAOYSA-N 0 0 382.703 5.731 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(Cl)sc1Cl ZINC000004173460 220690543 /nfs/dbraw/zinc/69/05/43/220690543.db2.gz FXPYYSNSOUXNMI-UHFFFAOYSA-N 0 0 395.745 6.146 50 0 GKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc(C(C)C)cc1 ZINC000004192467 220691471 /nfs/dbraw/zinc/69/14/71/220691471.db2.gz JDBICNDTKFYNJI-UHFFFAOYSA-N 0 0 398.890 5.941 50 0 GKAARN Fc1ccccc1-c1nnc(SCc2c(F)cccc2F)n1-c1ccccc1 ZINC000004211408 220692452 /nfs/dbraw/zinc/69/24/52/220692452.db2.gz GWYOLSYZPIQLBR-UHFFFAOYSA-N 0 0 397.425 5.644 50 0 GKAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000004377837 220712984 /nfs/dbraw/zinc/71/29/84/220712984.db2.gz LSCIMGDUDACNGG-ZDUSSCGKSA-N 0 0 389.373 5.489 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000004309616 220702695 /nfs/dbraw/zinc/70/26/95/220702695.db2.gz AMPROBWNLJZHSM-FYYLOGMGSA-N 0 0 390.870 5.591 50 0 GKAARN N=c1scc(-c2ccc(Cl)cc2)n1-c1cc(Cl)c(Cl)cc1Cl ZINC000004306885 220702879 /nfs/dbraw/zinc/70/28/79/220702879.db2.gz VKJGNTQZYXSKFJ-UHFFFAOYSA-N 0 0 390.122 6.299 50 0 GKAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000004309003 220702913 /nfs/dbraw/zinc/70/29/13/220702913.db2.gz UBGSYIBTCDSVOJ-OAHLLOKOSA-N 0 0 379.460 5.579 50 0 GKAARN CC[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CC)c1 ZINC000004327491 220706584 /nfs/dbraw/zinc/70/65/84/220706584.db2.gz ZTIVJQZPGREOEC-WOJBJXKFSA-N 0 0 386.540 5.279 50 0 GKAARN Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000004551570 220730037 /nfs/dbraw/zinc/73/00/37/220730037.db2.gz IVSQOLVVSHWQCX-STZFKDTASA-N 0 0 387.410 5.058 50 0 GKAARN Cc1cc2nc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)oc2c(C)c1 ZINC000004503100 220723398 /nfs/dbraw/zinc/72/33/98/220723398.db2.gz ZSTPEFBZFWLGLA-UHFFFAOYSA-N 0 0 383.662 5.420 50 0 GKAARN CCCC[C@@H](CC)CNC(=O)c1cc(Br)ccc1Br ZINC000004666522 220743315 /nfs/dbraw/zinc/74/33/15/220743315.db2.gz YVPGIGVQQXRCRA-LLVKDONJSA-N 0 0 391.147 5.158 50 0 GKAARN CCC1=Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2Sc2ccccc21 ZINC000004670313 220743941 /nfs/dbraw/zinc/74/39/41/220743941.db2.gz HAGJIQBMVLATFB-UHFFFAOYSA-N 0 0 390.483 5.751 50 0 GKAARN Fc1ccc(C2=NN(C(=S)NC3CCCCC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004666120 220744350 /nfs/dbraw/zinc/74/43/50/220744350.db2.gz GGCHKFKUJHHXTM-NRFANRHFSA-N 0 0 399.510 5.323 50 0 GKAARN CSC1=NC(=CNc2cccc(Cl)c2)C(=O)N1Cc1cccc(Cl)c1 ZINC000004698169 220750237 /nfs/dbraw/zinc/75/02/37/220750237.db2.gz RGVTURJRSDDFET-YBEGLDIGSA-N 0 0 392.311 5.008 50 0 GKAARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000004648588 220740487 /nfs/dbraw/zinc/74/04/87/220740487.db2.gz DKAGYOSZIJCFLT-KBVGCWLLSA-N 0 0 399.497 5.142 50 0 aggregator GKAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000004659590 220742347 /nfs/dbraw/zinc/74/23/47/220742347.db2.gz MZSPLWHMJMOULA-AUWJEWJLSA-N 0 0 376.818 5.349 50 0 GKAARN O=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccccc1F ZINC000004755587 220760631 /nfs/dbraw/zinc/76/06/31/220760631.db2.gz GIRAYNBKCRRZEY-DEDYPNTBSA-N 0 0 391.833 5.284 50 0 GKAARN COc1cccc(Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1 ZINC000004780942 220764762 /nfs/dbraw/zinc/76/47/62/220764762.db2.gz KCFSTWMSTKOYQX-UHFFFAOYSA-N 0 0 381.501 5.547 50 0 GKAARN CCCc1nc2sc3c(ncnc3NCCC(C)C)c2c2c1COC(C)(C)C2 ZINC000004802383 220766670 /nfs/dbraw/zinc/76/66/70/220766670.db2.gz ZANBCNFYMWAQMN-UHFFFAOYSA-N 0 0 398.576 5.501 50 0 GKAARN Cc1cc(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)ccc1Cl ZINC000004819338 220769595 /nfs/dbraw/zinc/76/95/95/220769595.db2.gz OXGCAIRXWIEJIW-UHFFFAOYSA-N 0 0 398.959 5.453 50 0 GKAARN CCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cccc(Cl)c1 ZINC000004886410 220784954 /nfs/dbraw/zinc/78/49/54/220784954.db2.gz WWEWTCQTBZYQMO-UHFFFAOYSA-N 0 0 396.899 5.778 50 0 GKAARN COc1ccc2nc3sc(C(=O)Nc4cc(C)ccc4OC)cc3cc2c1 ZINC000004900704 220785638 /nfs/dbraw/zinc/78/56/38/220785638.db2.gz RBMIWDWEWWGBQW-UHFFFAOYSA-N 0 0 378.453 5.027 50 0 GKAARN COc1ccc2nc3sc(C(=O)Nc4ccc(F)cc4Cl)cc3cc2c1 ZINC000004900329 220785723 /nfs/dbraw/zinc/78/57/23/220785723.db2.gz ZVLRPDQJKXYQIV-UHFFFAOYSA-N 0 0 386.835 5.503 50 0 GKAARN C[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004902265 220786277 /nfs/dbraw/zinc/78/62/77/220786277.db2.gz WWRFYCMQYLBFNL-MMVUMSBSSA-N 0 0 388.349 5.183 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000004854413 220777609 /nfs/dbraw/zinc/77/76/09/220777609.db2.gz IUPGVZVQQSEXKC-IBGZPJMESA-N 0 0 387.817 5.057 50 0 GKAARN 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221154700 /nfs/dbraw/zinc/15/47/00/221154700.db2.gz KZRPHBAMDPYTLA-UHFFFAOYSA-N 0 0 391.471 5.012 50 0 GKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)no2)cc1 ZINC000011915992 221135767 /nfs/dbraw/zinc/13/57/67/221135767.db2.gz ZPPHOGDQPYJSOE-UHFFFAOYSA-N 0 0 396.752 5.275 50 0 GKAARN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)c2)c1 ZINC000012301477 221178554 /nfs/dbraw/zinc/17/85/54/221178554.db2.gz OGUULJPRAIBVMF-QFIPXVFZSA-N 0 0 390.527 5.029 50 0 GKAARN CCC(CC)C(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012322236 221181439 /nfs/dbraw/zinc/18/14/39/221181439.db2.gz CXLJFMKYONWBLR-HSZRJFAPSA-N 0 0 386.499 5.052 50 0 GKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192215 221165627 /nfs/dbraw/zinc/16/56/27/221165627.db2.gz VRWOGABCCOGONY-RSXGOPAZSA-N 0 0 398.506 6.108 50 0 GKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1F ZINC000012196911 221166161 /nfs/dbraw/zinc/16/61/61/221166161.db2.gz XUHSOJVZOXMWTM-PXNSSMCTSA-N 0 0 386.785 5.454 50 0 GKAARN COc1cccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012196804 221166240 /nfs/dbraw/zinc/16/62/40/221166240.db2.gz VKYDCRJKGPBMIM-GCJKJVERSA-N 0 0 392.480 5.008 50 0 GKAARN COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000012196942 221166455 /nfs/dbraw/zinc/16/64/55/221166455.db2.gz UVQCSEHLSQGITD-LAUBAEHRSA-N 0 0 380.831 5.184 50 0 GKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196330 221166840 /nfs/dbraw/zinc/16/68/40/221166840.db2.gz SVPQGXZTUGEPQE-WIYYLYMNSA-N 0 0 396.899 5.652 50 0 GKAARN CC[C@@H](C)Nc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419694 221191898 /nfs/dbraw/zinc/19/18/98/221191898.db2.gz JPZOGNDWYBXPIA-LLVKDONJSA-N 0 0 396.921 5.100 50 0 GKAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@@H]1c1cccnc1 ZINC000012448730 221196874 /nfs/dbraw/zinc/19/68/74/221196874.db2.gz YCVMEIBZXFXLGX-XMMPIXPASA-N 0 0 383.495 5.925 50 0 GKAARN Cc1ccc(-c2nnc(COc3cccc(C4OC(C)(C)C(C)(C)O4)c3)o2)cc1 ZINC000012462087 221198617 /nfs/dbraw/zinc/19/86/17/221198617.db2.gz VKFXKBCAYQDVBB-UHFFFAOYSA-N 0 0 394.471 5.227 50 0 GKAARN COc1ccc(-c2nnc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 ZINC000012506163 221200464 /nfs/dbraw/zinc/20/04/64/221200464.db2.gz RGIGQARHXKPYNB-UHFFFAOYSA-N 0 0 378.435 5.363 50 0 GKAARN CN1c2ccccc2C(C)(C)/C1=C/C(=S)Nc1ccc(SC(F)F)cc1 ZINC000012524203 221201047 /nfs/dbraw/zinc/20/10/47/221201047.db2.gz MIRPCVABSLEFHJ-ATVHPVEESA-N 0 0 390.524 6.052 50 0 GKAARN CC(C)(C)c1nc2cc(NC(=O)CCc3ncc(-c4ccccc4)o3)ccc2[nH]1 ZINC000012520040 221201659 /nfs/dbraw/zinc/20/16/59/221201659.db2.gz JOEMRTGUHPFVTO-UHFFFAOYSA-N 0 0 388.471 5.087 50 0 GKAARN c1csc(-c2nnc(SCCOc3ccccc3)n2-c2ccccc2)c1 ZINC000012554363 221206266 /nfs/dbraw/zinc/20/62/66/221206266.db2.gz FHBOJMUUHXHSCR-UHFFFAOYSA-N 0 0 379.510 5.167 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccccc1N1CCCCC1 ZINC000012555730 221206902 /nfs/dbraw/zinc/20/69/02/221206902.db2.gz UPNZOTAJUGSOEJ-UHFFFAOYSA-N 0 0 393.575 5.179 50 0 GKAARN CCN(C(=O)CSc1nc2cc(C)ccc2[nH]1)c1cccc2ccccc21 ZINC000012569749 221208494 /nfs/dbraw/zinc/20/84/94/221208494.db2.gz YMUYCTQQBNNCTO-UHFFFAOYSA-N 0 0 375.497 5.170 50 0 GKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000012567080 221208566 /nfs/dbraw/zinc/20/85/66/221208566.db2.gz YOKLBGDWAQZZJM-QGZVFWFLSA-N 0 0 380.319 5.035 50 0 GKAARN COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1OC ZINC000012571274 221208846 /nfs/dbraw/zinc/20/88/46/221208846.db2.gz ZCBMSVJUNCKCCF-UHFFFAOYSA-N 0 0 375.855 6.239 50 0 GKAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3nc2SC/C=C/Cl)cc1 ZINC000012567963 221209140 /nfs/dbraw/zinc/20/91/40/221209140.db2.gz YMANOXDZOVELKQ-NNSJBKGDSA-N 0 0 384.932 5.744 50 0 GKAARN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2nc(-c3cccs3)oc2C)C1 ZINC000012570989 221209158 /nfs/dbraw/zinc/20/91/58/221209158.db2.gz OHUBVPISARBQFN-HNNXBMFYSA-N 0 0 386.542 5.176 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000012567072 221209192 /nfs/dbraw/zinc/20/91/92/221209192.db2.gz VFMSTDREXFOZHW-UHFFFAOYSA-N 0 0 389.923 5.761 50 0 GKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012578856 221210071 /nfs/dbraw/zinc/21/00/71/221210071.db2.gz JSXCWPNGJDBTOF-LNENJAERSA-N 0 0 386.282 5.247 50 0 GKAARN Fc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCc2ccccc2)cc1 ZINC000012376364 221186528 /nfs/dbraw/zinc/18/65/28/221186528.db2.gz JXJRHJNPWFROBK-RWEWTDSWSA-N 0 0 392.474 5.970 50 0 GKAARN C[C@@H]1CN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)C[C@H](C)O1 ZINC000012374320 221186551 /nfs/dbraw/zinc/18/65/51/221186551.db2.gz WIHUIVISJVIMDN-CALCHBBNSA-N 0 0 375.516 5.208 50 0 GKAARN COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1Cl ZINC000012371684 221186597 /nfs/dbraw/zinc/18/65/97/221186597.db2.gz RCBAKNAJPDQLRS-OAHLLOKOSA-N 0 0 399.899 5.463 50 0 GKAARN O=C(N[C@@H](c1ccccc1)c1ccccn1)C(c1ccccc1)c1ccccc1 ZINC000012596015 221212910 /nfs/dbraw/zinc/21/29/10/221212910.db2.gz SLGFJXPVRCRQDA-VWLOTQADSA-N 0 0 378.475 5.119 50 0 GKAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012612075 221214858 /nfs/dbraw/zinc/21/48/58/221214858.db2.gz UPEVRTXFNGRXEN-HNNXBMFYSA-N 0 0 394.525 5.034 50 0 GKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(C)cc1C ZINC000012618853 221215432 /nfs/dbraw/zinc/21/54/32/221215432.db2.gz PABZDFSMKWLRTG-UHFFFAOYSA-N 0 0 376.485 5.049 50 0 GKAARN Cc1nc(COc2ccc(/C=C/C(=O)Nc3ccc(C)cc3C)cc2)cs1 ZINC000012618921 221215727 /nfs/dbraw/zinc/21/57/27/221215727.db2.gz KRZZMBLFVORTSD-YRNVUSSQSA-N 0 0 378.497 5.299 50 0 GKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1C)CCCC3 ZINC000012621038 221215880 /nfs/dbraw/zinc/21/58/80/221215880.db2.gz VTDZCNIJVZSFLK-UHFFFAOYSA-N 0 0 384.570 5.445 50 0 GKAARN CC(=O)N(c1nc(COc2ccccc2Cl)cs1)c1cccc(Cl)c1 ZINC000012647932 221216703 /nfs/dbraw/zinc/21/67/03/221216703.db2.gz WFDWOWWRAXWGQR-UHFFFAOYSA-N 0 0 393.295 5.714 50 0 GKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4OC)c3)nc2c1 ZINC000012651243 221217343 /nfs/dbraw/zinc/21/73/43/221217343.db2.gz CZKNHNMXPTUVED-UHFFFAOYSA-N 0 0 386.451 5.627 50 0 GKAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000012707909 221219498 /nfs/dbraw/zinc/21/94/98/221219498.db2.gz REJFAPBRKCGRMN-FQEVSTJZSA-N 0 0 394.515 5.217 50 0 GKAARN CSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012758935 221226601 /nfs/dbraw/zinc/22/66/01/221226601.db2.gz RYCXERKYSKBDPP-QFIPXVFZSA-N 0 0 394.565 5.056 50 0 GKAARN COc1ccccc1NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000012760829 221228116 /nfs/dbraw/zinc/22/81/16/221228116.db2.gz MJNLGVDFNYVFQF-XDJHFCHBSA-N 0 0 395.405 5.476 50 0 GKAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3c(C(C)C)cccc3C(C)C)c12 ZINC000012770393 221229116 /nfs/dbraw/zinc/22/91/16/221229116.db2.gz QAYRQWJHYYWXSG-UHFFFAOYSA-N 0 0 377.488 5.908 50 0 GKAARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1-c1cccs1 ZINC000012903285 221243855 /nfs/dbraw/zinc/24/38/55/221243855.db2.gz MFIQUCZTBPOHMO-UHFFFAOYSA-N 0 0 383.341 5.292 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000012906698 221243867 /nfs/dbraw/zinc/24/38/67/221243867.db2.gz KHYKLOIVLDRKPZ-UHFFFAOYSA-N 0 0 378.520 5.513 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000012912436 221244823 /nfs/dbraw/zinc/24/48/23/221244823.db2.gz DJPLTROGTDAYJQ-UHFFFAOYSA-N 0 0 376.790 5.153 50 0 GKAARN CCc1ccc([C@H](NC(=O)c2cc(Cl)c(OC)c(OC)c2)C(C)C)cc1 ZINC000012806283 221234643 /nfs/dbraw/zinc/23/46/43/221234643.db2.gz WLCVROBVVNAKDX-LJQANCHMSA-N 0 0 375.896 5.047 50 0 GKAARN CCc1ccc([C@@H](NC(=O)c2cc(Cl)c(OC)c(OC)c2)C(C)C)cc1 ZINC000012806278 221235154 /nfs/dbraw/zinc/23/51/54/221235154.db2.gz WLCVROBVVNAKDX-IBGZPJMESA-N 0 0 375.896 5.047 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000012823819 221237158 /nfs/dbraw/zinc/23/71/58/221237158.db2.gz CDKHUNISLGKJHE-UHFFFAOYSA-N 0 0 388.492 6.193 50 0 GKAARN Cc1ccc(-c2nc(CSc3n[nH]c(C=Cc4ccc(F)cc4)n3)co2)cc1 ZINC000012822601 221237392 /nfs/dbraw/zinc/23/73/92/221237392.db2.gz XROCMPMFVDHHEX-IZZDOVSWSA-N 0 0 392.459 5.370 50 0 GKAARN Cc1ccc([C@@H]2OC(c3ccc(F)cc3)=Nc3cc4c(cc32)OCCO4)cc1 ZINC000012854824 221238249 /nfs/dbraw/zinc/23/82/49/221238249.db2.gz ACHMRKXRPCRRGT-QFIPXVFZSA-N 0 0 375.399 5.103 50 0 GKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccccc1F ZINC000012855620 221238694 /nfs/dbraw/zinc/23/86/94/221238694.db2.gz QTLKCFCYSFUDPQ-UHFFFAOYSA-N 0 0 388.446 5.244 50 0 GKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(Cl)cc1F ZINC000012853176 221238858 /nfs/dbraw/zinc/23/88/58/221238858.db2.gz NWEQKMAADXUTET-UHFFFAOYSA-N 0 0 390.867 5.384 50 0 GKAARN Cc1nc(COc2cccc(C(=O)Nc3ccc(F)cc3Cl)c2)cs1 ZINC000012853204 221238943 /nfs/dbraw/zinc/23/89/43/221238943.db2.gz ITVWLYUIKWBKEW-UHFFFAOYSA-N 0 0 376.840 5.075 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@@H](N[C@@H](C)c2cc3ccccc3o2)c2ccccc2)c1 ZINC000012859849 221239479 /nfs/dbraw/zinc/23/94/79/221239479.db2.gz NDELJZSXFOPTFI-DFBJGRDBSA-N 0 0 398.506 6.080 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000012887464 221240842 /nfs/dbraw/zinc/24/08/42/221240842.db2.gz YMSSWCOVDNBKFR-HSZRJFAPSA-N 0 0 387.479 5.105 50 0 GKAARN CC[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccc(C)cc1 ZINC000012881849 221241274 /nfs/dbraw/zinc/24/12/74/221241274.db2.gz LYPYBHQHBQPCHA-FQEVSTJZSA-N 0 0 382.554 5.625 50 0 GKAARN Cc1c(=O)c2cccc(C(=O)Nc3ccc4[nH]ccc4c3)c2oc1-c1ccccc1 ZINC000012896375 221243373 /nfs/dbraw/zinc/24/33/73/221243373.db2.gz VLKBJSDBZSFAKK-UHFFFAOYSA-N 0 0 394.430 5.502 50 0 biogenic GKAARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012933362 221248190 /nfs/dbraw/zinc/24/81/90/221248190.db2.gz HONUYSBYSBEIST-JOCHJYFZSA-N 0 0 395.462 5.285 50 0 GKAARN c1cncc(-c2nc3cc(-c4ccc5[nH]c(-c6cccnc6)nc5c4)ccc3[nH]2)c1 ZINC000012944725 221249367 /nfs/dbraw/zinc/24/93/67/221249367.db2.gz ZKQCRTVYUUZUAX-UHFFFAOYSA-N 0 0 388.434 5.230 50 0 GKAARN Brc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 ZINC000012971088 221250139 /nfs/dbraw/zinc/25/01/39/221250139.db2.gz QPXYSEMHMCGLJC-UHFFFAOYSA-N 0 0 388.268 6.141 50 0 GKAARN CCc1cccc(CC)c1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O ZINC000012973236 221251310 /nfs/dbraw/zinc/25/13/10/221251310.db2.gz LWTNXKHVICUUFL-UHFFFAOYSA-N 0 0 377.484 5.106 50 0 GKAARN O=C(Nc1ccc2c(c1)OCO2)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000012980679 221251972 /nfs/dbraw/zinc/25/19/72/221251972.db2.gz INNLSHLHFXBXOW-UHFFFAOYSA-N 0 0 390.420 5.051 50 0 GKAARN Cc1cc(C)n(-c2ccc(CSc3nnc(-c4ccccc4C)o3)cc2)n1 ZINC000012984632 221253034 /nfs/dbraw/zinc/25/30/34/221253034.db2.gz HWGIEBQQJCQGTB-UHFFFAOYSA-N 0 0 376.485 5.140 50 0 GKAARN CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)o2)cc1 ZINC000012992643 221254315 /nfs/dbraw/zinc/25/43/15/221254315.db2.gz OXYZKJAKGRPCES-UHFFFAOYSA-N 0 0 390.464 5.031 50 0 GKAARN C[C@H]1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c2ccccc2S1 ZINC000012912939 221245276 /nfs/dbraw/zinc/24/52/76/221245276.db2.gz VULOIAKYLSROSU-HNNXBMFYSA-N 0 0 382.529 5.202 50 0 GKAARN CCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000013284489 221265125 /nfs/dbraw/zinc/26/51/25/221265125.db2.gz IZWHNXYGSXDNFE-UHFFFAOYSA-N 0 0 385.602 6.524 50 0 GKAARN Cc1ccccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000013329371 221265480 /nfs/dbraw/zinc/26/54/80/221265480.db2.gz CFQIEIOMONOZMJ-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN CCc1c(C)scc1-c1nnc(SCc2ccccc2Cl)n1C(C)C ZINC000013325489 221265518 /nfs/dbraw/zinc/26/55/18/221265518.db2.gz FMSLRPCBJCOXKR-UHFFFAOYSA-N 0 0 391.993 6.404 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1cccc(Cl)c1C ZINC000013331387 221265637 /nfs/dbraw/zinc/26/56/37/221265637.db2.gz YVTASWVNLOPDKF-UHFFFAOYSA-N 0 0 382.895 5.462 50 0 GKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1cc(F)ccc1F ZINC000013348137 221265929 /nfs/dbraw/zinc/26/59/29/221265929.db2.gz OROWLHYLTYWTTC-UHFFFAOYSA-N 0 0 392.409 5.270 50 0 GKAARN Cc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 ZINC000013362060 221266824 /nfs/dbraw/zinc/26/68/24/221266824.db2.gz LARCVYDQPIUODE-JOCHJYFZSA-N 0 0 393.490 5.630 50 0 GKAARN Cc1ccc(-c2nc(CSc3ccc(Br)cc3)cs2)cc1 ZINC000013006058 221257124 /nfs/dbraw/zinc/25/71/24/221257124.db2.gz PCXOBYZWFSERSQ-UHFFFAOYSA-N 0 0 376.344 6.173 50 0 GKAARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000013036370 221258720 /nfs/dbraw/zinc/25/87/20/221258720.db2.gz NSDIVTIQPUMHLN-XUZZJYLKSA-N 0 0 385.467 5.031 50 0 GKAARN Cc1ccc(Cn2c3ccccc3nc2[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000013030906 221258959 /nfs/dbraw/zinc/25/89/59/221258959.db2.gz HDWYBAQHWGYPLM-OAQYLSRUSA-N 0 0 382.551 6.743 50 0 GKAARN CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc(C)c(C)c3)C[C@@H]21 ZINC000013036518 221259239 /nfs/dbraw/zinc/25/92/39/221259239.db2.gz IMVIJRBHWOGFFB-GBXCKJPGSA-N 0 0 388.467 5.537 50 0 GKAARN Cc1cc(-c2cc(C(=O)Nc3ccccc3C)c3c(C)noc3n2)c(C)s1 ZINC000013023092 221259362 /nfs/dbraw/zinc/25/93/62/221259362.db2.gz WJXHQNKJURAPEF-UHFFFAOYSA-N 0 0 377.469 5.437 50 0 GKAARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cccs3)C[C@@H]21 ZINC000013036510 221259664 /nfs/dbraw/zinc/25/96/64/221259664.db2.gz QRYBHFPFRQQPCC-MGPUTAFESA-N 0 0 382.510 5.451 50 0 GKAARN Cc1cccn2cc(CSc3nnc(Nc4ccc(C(C)C)cc4)s3)nc12 ZINC000013136986 221262808 /nfs/dbraw/zinc/26/28/08/221262808.db2.gz LAHQFIBTFCVLNH-UHFFFAOYSA-N 0 0 395.557 5.654 50 0 GKAARN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Sc1ccccc1)N1CCCCC1 ZINC000013152114 221263287 /nfs/dbraw/zinc/26/32/87/221263287.db2.gz NSXJBTFGLJLMOV-SQFISAMPSA-N 0 0 393.723 5.596 50 0 GKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 ZINC000013330918 221264757 /nfs/dbraw/zinc/26/47/57/221264757.db2.gz RHCOFXOHPMDQRV-UHFFFAOYSA-N 0 0 377.300 5.047 50 0 GKAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000013586464 221275260 /nfs/dbraw/zinc/27/52/60/221275260.db2.gz LXYUHIZYFSUMMR-UHFFFAOYSA-N 0 0 381.435 5.072 50 0 GKAARN CSCC[C@@H](NC(=O)CC(C)C)c1nc2ccccc2n1Cc1ccccc1 ZINC000013618426 221276417 /nfs/dbraw/zinc/27/64/17/221276417.db2.gz BJDAPQCKTIEWKU-HXUWFJFHSA-N 0 0 395.572 5.041 50 0 GKAARN O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000013616311 221277244 /nfs/dbraw/zinc/27/72/44/221277244.db2.gz ZTBVZQBHQWLJDJ-REWPJTCUSA-N 0 0 388.854 5.093 50 0 GKAARN C[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F ZINC000013617453 221277247 /nfs/dbraw/zinc/27/72/47/221277247.db2.gz QBFVHHNPJYZHFD-ZPICJPFVSA-N 0 0 399.469 5.114 50 0 GKAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2onc(-c3ccccc3)c21 ZINC000013641830 221277814 /nfs/dbraw/zinc/27/78/14/221277814.db2.gz AIRPBIBISBFFRA-UHFFFAOYSA-N 0 0 383.451 5.100 50 0 GKAARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccnc4Cl)c3)oc2c(C)c1 ZINC000013362253 221267287 /nfs/dbraw/zinc/26/72/87/221267287.db2.gz PKWXRXJFRCYVCL-UHFFFAOYSA-N 0 0 391.858 5.721 50 0 GKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1C ZINC000013370001 221267554 /nfs/dbraw/zinc/26/75/54/221267554.db2.gz JQORUQISOALFPU-UXHICEINSA-N 0 0 392.547 5.028 50 0 biogenic GKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013381994 221267828 /nfs/dbraw/zinc/26/78/28/221267828.db2.gz FDBKFGMCMXFUDF-NFBKMPQASA-N 0 0 390.870 5.591 50 0 GKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccc(C)c1 ZINC000013370013 221268314 /nfs/dbraw/zinc/26/83/14/221268314.db2.gz VRTQKUBUOAEHEO-UXHICEINSA-N 0 0 392.547 5.028 50 0 biogenic GKAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000013571541 221274174 /nfs/dbraw/zinc/27/41/74/221274174.db2.gz OMEJQQAXAHHBSW-UHFFFAOYSA-N 0 0 379.272 5.464 50 0 GKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O ZINC000013758355 221287959 /nfs/dbraw/zinc/28/79/59/221287959.db2.gz LNSVDAAUTAFJQL-FPOVZHCZSA-N 0 0 395.506 5.475 50 0 GKAARN C[C@@]1(c2ccc(Br)cc2)Nc2ccccc2-c2nc3ccccc3n21 ZINC000013770865 221288554 /nfs/dbraw/zinc/28/85/54/221288554.db2.gz KOBHJKRBDOCFQL-OAQYLSRUSA-N 0 0 390.284 5.612 50 0 GKAARN Clc1ccc(SCc2nnc3sc(-c4c[nH]c5ccccc54)nn23)cc1 ZINC000013727598 221285071 /nfs/dbraw/zinc/28/50/71/221285071.db2.gz RJDSMGLMQVGQFE-UHFFFAOYSA-N 0 0 397.916 5.280 50 0 GKAARN Clc1ccc(SCc2nc3ccc(Cl)cn3c2Br)cc1 ZINC000013756685 221286646 /nfs/dbraw/zinc/28/66/46/221286646.db2.gz CAJNPWVXTUOBKM-UHFFFAOYSA-N 0 0 388.117 5.696 50 0 GKAARN Cn1cc([C@H]2c3ccccc3C(=O)N2C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000013944005 221292934 /nfs/dbraw/zinc/29/29/34/221292934.db2.gz YWPWZVDHLFNJCD-ZZQKJMNASA-N 0 0 396.534 5.692 50 0 GKAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1sc2ccccc2c1Cl ZINC000013957967 221294487 /nfs/dbraw/zinc/29/44/87/221294487.db2.gz TZXMUNREDYZGDO-UHFFFAOYSA-N 0 0 389.307 5.662 50 0 GKAARN C[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000013988207 221294690 /nfs/dbraw/zinc/29/46/90/221294690.db2.gz IQEMAABJKNVLGV-QWRGUYRKSA-N 0 0 388.747 6.005 50 0 GKAARN COc1ccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc32)c(OC)c1 ZINC000014075387 221297487 /nfs/dbraw/zinc/29/74/87/221297487.db2.gz ZZYFTSMJKUJPGS-UHFFFAOYSA-N 0 0 381.432 5.258 50 0 GKAARN COc1ccc(OC)c(Nc2ncnc3cc(-c4ccc(F)cc4)sc32)c1 ZINC000014075437 221297713 /nfs/dbraw/zinc/29/77/13/221297713.db2.gz DMXIEVOZVXNQGJ-UHFFFAOYSA-N 0 0 381.432 5.258 50 0 GKAARN COc1ccc(Cl)cc1-c1nnc(SCc2ccc(Cl)cc2)n1C ZINC000014084372 221298791 /nfs/dbraw/zinc/29/87/91/221298791.db2.gz CQLGJYKVBBMQFV-UHFFFAOYSA-N 0 0 380.300 5.090 50 0 GKAARN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000014131981 221299395 /nfs/dbraw/zinc/29/93/95/221299395.db2.gz AGJNISSXMNAMKJ-XDHOZWIPSA-N 0 0 379.868 5.730 50 0 GKAARN COc1ccc(CC(=O)Nc2ccccc2SCc2ccsc2)cc1OC ZINC000014185159 221302038 /nfs/dbraw/zinc/30/20/38/221302038.db2.gz SSQLAXMXHCUNOL-UHFFFAOYSA-N 0 0 399.537 5.239 50 0 GKAARN Cc1sc2nc(CSc3ccccc3)nc(Nc3ccn(C)n3)c2c1C ZINC000014232913 221305989 /nfs/dbraw/zinc/30/59/89/221305989.db2.gz NYLBHLBQWDQNQR-UHFFFAOYSA-N 0 0 381.530 5.078 50 0 GKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccccc2Cl)o1 ZINC000014241360 221306126 /nfs/dbraw/zinc/30/61/26/221306126.db2.gz AHJLKPWLSQDGGU-UHFFFAOYSA-N 0 0 383.860 5.646 50 0 GKAARN COCc1c2ccccc2oc1C(=O)Nc1ncc(Cc2cccc(C)c2)s1 ZINC000014255314 221308080 /nfs/dbraw/zinc/30/80/80/221308080.db2.gz ZQYIDCLIJLVJEI-UHFFFAOYSA-N 0 0 392.480 5.187 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000014473669 221310489 /nfs/dbraw/zinc/31/04/89/221310489.db2.gz CEBBNSXUDBSPSL-MRXNPFEDSA-N 0 0 398.934 5.578 50 0 GKAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCOc1ccc(Cl)cc1 ZINC000014672772 221314631 /nfs/dbraw/zinc/31/46/31/221314631.db2.gz WXNHNGGIATYJPV-UHFFFAOYSA-N 0 0 386.706 5.165 50 0 GKAARN COc1cccc([C@H]2SC(C)=Nc3c2c(C)nn3-c2ccc(F)cc2)c1OC ZINC000015084690 221332329 /nfs/dbraw/zinc/33/23/29/221332329.db2.gz FMCCKVADTWAROP-HXUWFJFHSA-N 0 0 397.475 5.223 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1cccc(O)c1)CC(=O)N2 ZINC000015106683 221332471 /nfs/dbraw/zinc/33/24/71/221332471.db2.gz GSZQOCPVPRQTQO-MRXNPFEDSA-N 0 0 378.453 5.138 50 0 GKAARN COc1cccc([C@@H]2SC(C)=Nc3c2c(C)nn3-c2ccc(F)cc2)c1OC ZINC000015084688 221333022 /nfs/dbraw/zinc/33/30/22/221333022.db2.gz FMCCKVADTWAROP-FQEVSTJZSA-N 0 0 397.475 5.223 50 0 GKAARN FC(F)(F)c1cnc(Sc2nnc(-c3ccccc3Cl)o2)c(Cl)c1 ZINC000015113230 221334406 /nfs/dbraw/zinc/33/44/06/221334406.db2.gz JZVSREUEQODYJN-UHFFFAOYSA-N 0 0 392.189 5.608 50 0 GKAARN Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2)cc1 ZINC000015412444 221336022 /nfs/dbraw/zinc/33/60/22/221336022.db2.gz DIKOXQYKMXBQPB-VWLOTQADSA-N 0 0 398.506 5.041 50 0 GKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000015432250 221336664 /nfs/dbraw/zinc/33/66/64/221336664.db2.gz MFYNKJXCUYOJRD-UHFFFAOYSA-N 0 0 391.254 5.430 50 0 GKAARN O=C1NC(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1 ZINC000015013195 221326078 /nfs/dbraw/zinc/32/60/78/221326078.db2.gz QDZSPPXSBRQPKJ-SFQUDFHCSA-N 0 0 396.855 5.182 50 0 GKAARN CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cc(Cl)c(OC)c(OC)c1)N2 ZINC000015017922 221326894 /nfs/dbraw/zinc/32/68/94/221326894.db2.gz VUHXTDIGVYGYFP-JHVJFLLYSA-N 0 0 387.907 5.554 50 0 GKAARN CCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccccc1 ZINC000015019398 221327026 /nfs/dbraw/zinc/32/70/26/221327026.db2.gz VSSSCRGOUOPUKJ-UHFFFAOYSA-N 0 0 394.544 5.083 50 0 GKAARN Cc1ccc(-n2cc(CN(C)[C@H](C)c3ccon3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015074351 221331538 /nfs/dbraw/zinc/33/15/38/221331538.db2.gz CMVDFWYNLSPDRT-QGZVFWFLSA-N 0 0 390.462 5.168 50 0 GKAARN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000015733648 221342392 /nfs/dbraw/zinc/34/23/92/221342392.db2.gz QNTTZUOWHWSJSJ-LJQANCHMSA-N 0 0 397.812 5.870 50 0 GKAARN Cc1cccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1C ZINC000015733348 221342543 /nfs/dbraw/zinc/34/25/43/221342543.db2.gz JFVYRKBDUHQPSP-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Fc1cccc(Cl)c1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733474 221342547 /nfs/dbraw/zinc/34/25/47/221342547.db2.gz ZRRLPJGXCIGVKY-UHFFFAOYSA-N 0 0 380.806 5.775 50 0 GKAARN CCOc1ccc(NC(=O)c2ccc(N3CCSc4ncccc43)s2)cc1 ZINC000015769717 221343447 /nfs/dbraw/zinc/34/34/47/221343447.db2.gz JUJSDVBXJZKQOD-UHFFFAOYSA-N 0 0 397.525 5.038 50 0 GKAARN Cc1c(C[NH2+][C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000015776973 221344937 /nfs/dbraw/zinc/34/49/37/221344937.db2.gz OUESFWRORGOWSA-OAHLLOKOSA-N 0 0 396.918 5.356 50 0 GKAARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C)c2)c1 ZINC000015822666 221345588 /nfs/dbraw/zinc/34/55/88/221345588.db2.gz CYSATYUHVUQXMM-RUZDIDTESA-N 0 0 380.491 5.573 50 0 GKAARN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)c2)cc1 ZINC000015822671 221345628 /nfs/dbraw/zinc/34/56/28/221345628.db2.gz OKAOWTLPTLBKCT-VWLOTQADSA-N 0 0 380.491 5.573 50 0 GKAARN O=C(NCc1ccccc1Cl)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785145 221345755 /nfs/dbraw/zinc/34/57/55/221345755.db2.gz FBOUNVMVHBSDAJ-UHFFFAOYSA-N 0 0 380.806 5.217 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000015786521 221345870 /nfs/dbraw/zinc/34/58/70/221345870.db2.gz UTDAYBXVSXKJFN-UHFFFAOYSA-N 0 0 379.460 5.379 50 0 GKAARN O=C(Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1)c1ccc(F)cc1 ZINC000015821203 221345929 /nfs/dbraw/zinc/34/59/29/221345929.db2.gz AKYHPUKIQXKKSX-UHFFFAOYSA-N 0 0 391.833 5.584 50 0 GKAARN CCc1cccc(Nc2c(CC)c(C)nc3nc(Cc4cccc(F)c4)nn32)c1 ZINC000015785826 221345961 /nfs/dbraw/zinc/34/59/61/221345961.db2.gz OGIGPXWRQCCMQH-UHFFFAOYSA-N 0 0 389.478 5.031 50 0 GKAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)cc1 ZINC000015838141 221346754 /nfs/dbraw/zinc/34/67/54/221346754.db2.gz PZINQFMHEWMFHZ-UHFFFAOYSA-N 0 0 379.463 5.680 50 0 GKAARN COc1ccc(CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C ZINC000015836488 221347054 /nfs/dbraw/zinc/34/70/54/221347054.db2.gz GNWLFXKHBLESKS-UHFFFAOYSA-N 0 0 385.813 5.637 50 0 GKAARN O=c1[nH]c2c(-c3ccc(Br)cc3)sc(=S)n2c2ccccc12 ZINC000015828651 221347125 /nfs/dbraw/zinc/34/71/25/221347125.db2.gz GOTHOYINUKEVBE-UHFFFAOYSA-N 0 0 389.299 5.001 50 0 GKAARN CN(C(=O)c1ccccc1Cl)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835513 221347234 /nfs/dbraw/zinc/34/72/34/221347234.db2.gz AAOKVLHFLWHXTD-FQEVSTJZSA-N 0 0 380.900 5.744 50 0 GKAARN Cc1c(C)n(-c2cccc(C)c2C)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000015842313 221347491 /nfs/dbraw/zinc/34/74/91/221347491.db2.gz JZJDEYABRFJPQO-UHFFFAOYSA-N 0 0 381.483 5.277 50 0 GKAARN CCCCOc1ccc(NC(=O)COc2ccccc2Cl)c2cccnc12 ZINC000015841092 221347592 /nfs/dbraw/zinc/34/75/92/221347592.db2.gz ZMFZCYVGZFSQIA-UHFFFAOYSA-N 0 0 384.863 5.085 50 0 GKAARN Cc1c(C)n(-c2ccc(C)cc2C)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000015842331 221347785 /nfs/dbraw/zinc/34/77/85/221347785.db2.gz JFBOTQWFJIHKEK-UHFFFAOYSA-N 0 0 381.483 5.277 50 0 GKAARN CCCCOc1ccc(NC(=O)c2ccc(Br)cc2)c2cccnc12 ZINC000015841068 221348009 /nfs/dbraw/zinc/34/80/09/221348009.db2.gz BKZVCFMKTHGTMR-UHFFFAOYSA-N 0 0 399.288 5.429 50 0 GKAARN CCCCOc1ccc(NC(=O)COc2cccc(C)c2C)c2cccnc12 ZINC000015841125 221348272 /nfs/dbraw/zinc/34/82/72/221348272.db2.gz MHHHWSOKSOKEAA-UHFFFAOYSA-N 0 0 378.472 5.048 50 0 GKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(Br)c2)s1 ZINC000015840221 221348284 /nfs/dbraw/zinc/34/82/84/221348284.db2.gz GFSWPGPXNLOQCN-UHFFFAOYSA-N 0 0 393.331 5.124 50 0 GKAARN COc1cc(-c2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000015861494 221348855 /nfs/dbraw/zinc/34/88/55/221348855.db2.gz AYUSWCDXMKJJTF-UHFFFAOYSA-N 0 0 388.467 5.086 50 0 GKAARN O=C(c1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000015861635 221348923 /nfs/dbraw/zinc/34/89/23/221348923.db2.gz JQNWRBOENHKUJB-UHFFFAOYSA-N 0 0 381.262 5.622 50 0 GKAARN Cc1ccc(NC(=O)c2ccnc(Nc3ccc(OC(F)(F)F)cc3)c2)cc1 ZINC000015861059 221349043 /nfs/dbraw/zinc/34/90/43/221349043.db2.gz CDLJDJHUXWDZRO-UHFFFAOYSA-N 0 0 387.361 5.285 50 0 GKAARN Cc1ccc(C)c(OC[C@@H](O)Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC000015860794 221349210 /nfs/dbraw/zinc/34/92/10/221349210.db2.gz GFZADLBIHDHCEV-FQEVSTJZSA-N 0 0 378.516 5.141 50 0 GKAARN CC[C@H](C(=O)Nc1cccc(CCc2nc3cc(C)ccc3[nH]2)c1)c1ccccc1 ZINC000015863587 221349718 /nfs/dbraw/zinc/34/97/18/221349718.db2.gz ORTGDPCOKPNCMO-QFIPXVFZSA-N 0 0 397.522 5.789 50 0 GKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1 ZINC000015867074 221349971 /nfs/dbraw/zinc/34/99/71/221349971.db2.gz LRYJTDQQBXIXKO-SFHVURJKSA-N 0 0 386.517 5.003 50 0 GKAARN Cc1cc(F)ccc1NC(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865014 221350164 /nfs/dbraw/zinc/35/01/64/221350164.db2.gz IIFZXRGCHVTJRU-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN Cn1c(CCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)nc2ccccc21 ZINC000015863677 221350327 /nfs/dbraw/zinc/35/03/27/221350327.db2.gz IVEQBFOMMJAASF-UHFFFAOYSA-N 0 0 389.886 5.264 50 0 GKAARN CCSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000015882502 221350988 /nfs/dbraw/zinc/35/09/88/221350988.db2.gz GTYIKVGSRFWIOJ-UHFFFAOYSA-N 0 0 390.533 6.328 50 0 GKAARN Brc1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000016123693 221357227 /nfs/dbraw/zinc/35/72/27/221357227.db2.gz GVLSPHCBVZUIKP-UHFFFAOYSA-N 0 0 397.356 6.496 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C ZINC000016348552 221360094 /nfs/dbraw/zinc/36/00/94/221360094.db2.gz BIGLSNDSSBIIOA-UHFFFAOYSA-N 0 0 386.451 5.681 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)oc2cc1C ZINC000016312778 221360438 /nfs/dbraw/zinc/36/04/38/221360438.db2.gz MPYDIRXJJAZTMW-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN O=C1S/C(=C\c2ccccc2C(F)(F)F)C(=O)N1c1ccc(Cl)cc1 ZINC000016448968 221363870 /nfs/dbraw/zinc/36/38/70/221363870.db2.gz VSDXKSGEJJXLEB-ZROIWOOFSA-N 0 0 383.778 5.600 50 0 GKAARN c1c(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ncccn12 ZINC000016492241 221364011 /nfs/dbraw/zinc/36/40/11/221364011.db2.gz IJFXZARZCXBHCQ-UHFFFAOYSA-N 0 0 384.464 5.344 50 0 GKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000016739451 221368887 /nfs/dbraw/zinc/36/88/87/221368887.db2.gz KSZXKMFFOGWWGE-NQIIRXRSSA-N 0 0 380.831 5.184 50 0 GKAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(C(=O)c2ccccc2)cc1 ZINC000016724647 221368890 /nfs/dbraw/zinc/36/88/90/221368890.db2.gz ZUYVPMHPQAMEFO-UHFFFAOYSA-N 0 0 385.341 5.069 50 0 GKAARN Cc1ccccc1Nc1nc(N2CCC[C@@H](C)C2)nc2c1cnn2-c1ccccc1 ZINC000017136006 221379723 /nfs/dbraw/zinc/37/97/23/221379723.db2.gz DVLFJJAHTZIRSQ-QGZVFWFLSA-N 0 0 398.514 5.104 50 0 GKAARN COc1cccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)c1 ZINC000017145532 221379742 /nfs/dbraw/zinc/37/97/42/221379742.db2.gz 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/nfs/dbraw/zinc/36/97/42/221369742.db2.gz KWKGDURPGKBQNU-HXUWFJFHSA-N 0 0 388.305 5.043 50 0 GKAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000016779319 221370412 /nfs/dbraw/zinc/37/04/12/221370412.db2.gz VHKXUAQZCQVHFV-QGZVFWFLSA-N 0 0 386.517 5.245 50 0 GKAARN C=Cc1ccc(CSc2nccn3nc(-c4ccc(OCC)cc4)cc23)cc1 ZINC000016843201 221372122 /nfs/dbraw/zinc/37/21/22/221372122.db2.gz DIAMKNWVUKQNEU-UHFFFAOYSA-N 0 0 387.508 5.730 50 0 GKAARN CCCOc1ccc(-c2nc3ccccc3c(Nc3cccc(Cl)c3)n2)cc1 ZINC000016946410 221374043 /nfs/dbraw/zinc/37/40/43/221374043.db2.gz ZUJPVKDVUMLVKZ-UHFFFAOYSA-N 0 0 389.886 6.483 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3F)s2)cc1 ZINC000017057888 221375740 /nfs/dbraw/zinc/37/57/40/221375740.db2.gz WPJDFLLPVIEDIF-UHFFFAOYSA-N 0 0 388.493 5.063 50 0 GKAARN CCCN(CCC)C(=S)Nc1sc(-c2ccccc2)cc1C(=O)OC ZINC000017077075 221375766 /nfs/dbraw/zinc/37/57/66/221375766.db2.gz LXWWLXSMAYFIMF-UHFFFAOYSA-N 0 0 376.547 5.021 50 0 GKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)C(C)C)cc3)n2)cc1 ZINC000017042729 221376327 /nfs/dbraw/zinc/37/63/27/221376327.db2.gz YKKIKZWNLLXKJU-UHFFFAOYSA-N 0 0 375.476 5.175 50 0 GKAARN Cc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052919 221376440 /nfs/dbraw/zinc/37/64/40/221376440.db2.gz IMXLJAUSQDKENI-UHFFFAOYSA-N 0 0 398.514 5.166 50 0 GKAARN Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)cc1 ZINC000017077835 221377234 /nfs/dbraw/zinc/37/72/34/221377234.db2.gz LOVOOBISWFPACL-UHFFFAOYSA-N 0 0 380.535 6.808 50 0 GKAARN FC(F)(F)Oc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000017077682 221377393 /nfs/dbraw/zinc/37/73/93/221377393.db2.gz OKKYPBYRZWUGNL-UHFFFAOYSA-N 0 0 380.313 5.413 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017079022 221377875 /nfs/dbraw/zinc/37/78/75/221377875.db2.gz KSXBUVPCPNRCMQ-UHFFFAOYSA-N 0 0 386.926 7.093 50 0 GKAARN Cc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017081218 221378255 /nfs/dbraw/zinc/37/82/55/221378255.db2.gz VLADSUWFEHIXTF-UHFFFAOYSA-N 0 0 397.309 5.843 50 0 GKAARN CC[C@@H](C)N(C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)[C@@H](C)CC ZINC000017080747 221378285 /nfs/dbraw/zinc/37/82/85/221378285.db2.gz HWDHGGPBSNQTHI-CALCHBBNSA-N 0 0 394.946 6.594 50 0 GKAARN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1 ZINC000017081211 221378328 /nfs/dbraw/zinc/37/83/28/221378328.db2.gz PUGJPRAWVAZGHI-UHFFFAOYSA-N 0 0 397.257 6.764 50 0 GKAARN O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)Nc1cccc(Cl)c1 ZINC000017080921 221378409 /nfs/dbraw/zinc/37/84/09/221378409.db2.gz BYQBLCSCHYQEOJ-UHFFFAOYSA-N 0 0 395.677 5.536 50 0 GKAARN Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 ZINC000017080725 221378478 /nfs/dbraw/zinc/37/84/78/221378478.db2.gz XQUSGVTVLGSHFW-UHFFFAOYSA-N 0 0 394.852 6.505 50 0 GKAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 ZINC000017080840 221378607 /nfs/dbraw/zinc/37/86/07/221378607.db2.gz ULGPNVANIRSCBR-GOTSBHOMSA-N 0 0 395.458 5.602 50 0 GKAARN CCCCn1nc(C)c2c1nc(-c1ccc(Br)cc1)cc2C(F)F ZINC000017080511 221378653 /nfs/dbraw/zinc/37/86/53/221378653.db2.gz FAOJDRPBKGQSJP-UHFFFAOYSA-N 0 0 394.263 5.907 50 0 GKAARN C=Cc1ccc(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1 ZINC000017081635 221378676 /nfs/dbraw/zinc/37/86/76/221378676.db2.gz ZDRGSBUNRFDDJZ-UHFFFAOYSA-N 0 0 398.937 7.179 50 0 GKAARN Cn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CCCC2 ZINC000017080506 221378757 /nfs/dbraw/zinc/37/87/57/221378757.db2.gz ATSOTFPEHLMJNR-UHFFFAOYSA-N 0 0 393.940 5.507 50 0 GKAARN CCc1c(C)sc(NC(=S)Nc2ccccc2C(C)(C)C)c1C(=O)OC ZINC000017079786 221378856 /nfs/dbraw/zinc/37/88/56/221378856.db2.gz LVCCFUQFVULSGS-UHFFFAOYSA-N 0 0 390.574 5.512 50 0 GKAARN Cc1cccc(CSc2nnc([C@@H](C)Oc3ccc(F)cc3Cl)n2C)c1 ZINC000017080043 221378904 /nfs/dbraw/zinc/37/89/04/221378904.db2.gz VJDNNWLLNNUINK-CYBMUJFWSA-N 0 0 391.899 5.348 50 0 GKAARN CCCOc1ccc(-c2cc(C3N=NC(=S)N3CC)c3ccccc3n2)cc1 ZINC000017079746 221378958 /nfs/dbraw/zinc/37/89/58/221378958.db2.gz SWJFBQDVXQGNOX-UHFFFAOYSA-N 0 0 390.512 5.258 50 0 GKAARN Cn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1c[nH]c2ccccc12 ZINC000017144377 221379231 /nfs/dbraw/zinc/37/92/31/221379231.db2.gz QGNYOKOYADHCIV-UHFFFAOYSA-N 0 0 396.519 5.845 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000019200117 221399517 /nfs/dbraw/zinc/39/95/17/221399517.db2.gz VLXJHZQGJCSQGY-UHFFFAOYSA-N 0 0 387.464 5.558 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)c2cccc(Cl)c2n1 ZINC000018062729 221385711 /nfs/dbraw/zinc/38/57/11/221385711.db2.gz QWNIDHMMCRKRHK-IYBDPMFKSA-N 0 0 392.930 5.982 50 0 GKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2F)cc1O ZINC000018044677 221386624 /nfs/dbraw/zinc/38/66/24/221386624.db2.gz ZMWQCDQOVIPVCU-UHFFFAOYSA-N 0 0 390.414 5.176 50 0 GKAARN CCOc1ccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)cc1 ZINC000018088360 221387343 /nfs/dbraw/zinc/38/73/43/221387343.db2.gz IYBUOJINBCGPKI-XDOYNYLZSA-N 0 0 382.554 6.077 50 0 GKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)N(c1ccccc1)c1ccccc1 ZINC000018194730 221388607 /nfs/dbraw/zinc/38/86/07/221388607.db2.gz NEGJQEMPWBTDCS-UHFFFAOYSA-N 0 0 392.458 6.288 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)n[nH]c3-c2cccc(Cl)c2)c1 ZINC000019772448 221451649 /nfs/dbraw/zinc/45/16/49/221451649.db2.gz LXIWEPQJDKSSJY-UHFFFAOYSA-N 0 0 389.842 5.338 50 0 GKAARN O=C1C[C@H]2Sc3ccccc3N=C2N(Cc2ccccc2)N1Cc1ccccc1 ZINC000020030959 221468349 /nfs/dbraw/zinc/46/83/49/221468349.db2.gz JHZSDBAMUHUSGJ-JOCHJYFZSA-N 0 0 399.519 5.041 50 0 GKAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1cccc(C(F)(F)F)c1 ZINC000019926936 221463582 /nfs/dbraw/zinc/46/35/82/221463582.db2.gz LVIXUJPIRKQSLK-HNNXBMFYSA-N 0 0 392.229 5.791 50 0 GKAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(OC(C)C)cc2)s1 ZINC000019933171 221465714 /nfs/dbraw/zinc/46/57/14/221465714.db2.gz KWQAWBZDECWFHA-UHFFFAOYSA-N 0 0 386.542 5.539 50 0 GKAARN Cc1cc(C)cc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020178161 221476978 /nfs/dbraw/zinc/47/69/78/221476978.db2.gz DVXIFVNEJPJORP-NRFANRHFSA-N 0 0 389.886 6.208 50 0 GKAARN COc1cccc(N[C@@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)c1 ZINC000020274486 221480662 /nfs/dbraw/zinc/48/06/62/221480662.db2.gz VTYBMMMPBMMZPP-HXUWFJFHSA-N 0 0 375.403 5.086 50 0 GKAARN CN(C(=O)c1noc2c1CSc1ccccc1-2)c1cccc(C(F)(F)F)c1 ZINC000020484858 221493330 /nfs/dbraw/zinc/49/33/30/221493330.db2.gz KYVJFRIDFWHIPJ-UHFFFAOYSA-N 0 0 390.386 5.243 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)s1 ZINC000020602992 221503197 /nfs/dbraw/zinc/50/31/97/221503197.db2.gz HOLOSZNRVUHPNI-UHFFFAOYSA-N 0 0 399.441 6.412 50 0 GKAARN O=C1C[C@H](c2cc(F)ccc2F)c2cc(Br)c3ccccc3c2N1 ZINC000020851390 221513900 /nfs/dbraw/zinc/51/39/00/221513900.db2.gz SWTLEKFABWGEJC-CYBMUJFWSA-N 0 0 388.211 5.355 50 0 GKAARN CSc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2OC3)cc1 ZINC000020847336 221513338 /nfs/dbraw/zinc/51/33/38/221513338.db2.gz DIMIHNUXFYFFIQ-UHFFFAOYSA-N 0 0 381.500 6.697 50 0 GKAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccc(F)cc2F)=C3)C1 ZINC000020557672 221500464 /nfs/dbraw/zinc/50/04/64/221500464.db2.gz RCAHIQZNFRAGDN-JTQLQIEISA-N 0 0 377.481 5.378 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980404 221520779 /nfs/dbraw/zinc/52/07/79/221520779.db2.gz FPFYAXBHJQEBDI-UHFFFAOYSA-N 0 0 394.837 5.016 50 0 GKAARN CC(C)[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nc2cccnc2n1C(C)C ZINC000021020411 221524575 /nfs/dbraw/zinc/52/45/75/221524575.db2.gz PHWYYLYSDSMEIY-QGZVFWFLSA-N 0 0 385.899 5.184 50 0 GKAARN Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2oc(-c3ccccc3)nc21 ZINC000021023854 221525026 /nfs/dbraw/zinc/52/50/26/221525026.db2.gz AKEDMHKPPDYERE-UHFFFAOYSA-N 0 0 384.483 5.052 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4cc(C)cc(C)c4)sc3nc2c1Cl ZINC000021087668 221525742 /nfs/dbraw/zinc/52/57/42/221525742.db2.gz BGWYETFEJZSGPL-UHFFFAOYSA-N 0 0 396.899 5.981 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4ncccc4C)sc3nc2c1Cl ZINC000021087635 221526098 /nfs/dbraw/zinc/52/60/98/221526098.db2.gz RJSDCGUCJQXIGH-UHFFFAOYSA-N 0 0 383.860 5.067 50 0 GKAARN O=C(NCCc1c[nH]c2ccccc12)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931316 221518686 /nfs/dbraw/zinc/51/86/86/221518686.db2.gz 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ZINC000028292931 221674945 /nfs/dbraw/zinc/67/49/45/221674945.db2.gz IWXGDRSQAHPZTN-HXUWFJFHSA-N 0 0 398.865 5.265 50 0 GKAARN COc1ccc(Br)cc1[C@H]1Nc2ccc(C)cc2[C@H]2OCCC[C@@H]12 ZINC000030781405 221703617 /nfs/dbraw/zinc/70/36/17/221703617.db2.gz YYHUSTQNPHBUFT-GKCIPKSASA-N 0 0 388.305 5.401 50 0 GKAARN O=C(Nc1ccc2c(c1)oc1ccccc12)C1(c2ccc(Cl)cc2)CCCC1 ZINC000030952977 221708487 /nfs/dbraw/zinc/70/84/87/221708487.db2.gz UGLUGPUHTFJDKK-UHFFFAOYSA-N 0 0 389.882 6.690 50 0 GKAARN Cc1ccc(C)c(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000032578502 221721643 /nfs/dbraw/zinc/72/16/43/221721643.db2.gz GTWCXMFOCGTCKD-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3C)n2C(C)C)c1 ZINC000032579527 221724787 /nfs/dbraw/zinc/72/47/87/221724787.db2.gz NKJOLDMCCJXOND-UHFFFAOYSA-N 0 0 398.507 5.013 50 0 GKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1[nH]c2ccccc2c1Br ZINC000032932496 221753294 /nfs/dbraw/zinc/75/32/94/221753294.db2.gz BCCULPLVMGTMDC-UHFFFAOYSA-N 0 0 399.166 5.081 50 0 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CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)CC ZINC000035977418 221837257 /nfs/dbraw/zinc/83/72/57/221837257.db2.gz BIZJTTUXPJIBKH-UHFFFAOYSA-N 0 0 395.478 5.167 50 0 GKAARN CCCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)c1ccc(Cl)cc1 ZINC000036012329 221838666 /nfs/dbraw/zinc/83/86/66/221838666.db2.gz UUJXOFQQONBOHJ-UHFFFAOYSA-N 0 0 384.863 5.056 50 0 GKAARN C[C@H](NC(=O)c1csc(COc2cccc3ccccc32)n1)c1ccccc1 ZINC000036084743 221841700 /nfs/dbraw/zinc/84/17/00/221841700.db2.gz AEAXFDVQAZPXJL-INIZCTEOSA-N 0 0 388.492 5.366 50 0 GKAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)C1CCCC1 ZINC000036106798 221842793 /nfs/dbraw/zinc/84/27/93/221842793.db2.gz KZMYSIDMTTUVTO-UHFFFAOYSA-N 0 0 392.952 5.304 50 0 GKAARN COc1cccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246789 221847882 /nfs/dbraw/zinc/84/78/82/221847882.db2.gz VVNIEAHSXXPPGV-KRWDZBQOSA-N 0 0 399.487 5.099 50 0 GKAARN Cc1cccc(CSc2nc(Oc3cccc(C(C)C)c3)cc(C(C)C)n2)c1 ZINC000036349626 221851162 /nfs/dbraw/zinc/85/11/62/221851162.db2.gz 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/nfs/dbraw/zinc/03/36/44/222033644.db2.gz WFLWSDAKEWZWBM-UHFFFAOYSA-N 0 0 379.769 5.310 50 0 GKAARN c1ccc(CN2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)cc1 ZINC000057440229 222033940 /nfs/dbraw/zinc/03/39/40/222033940.db2.gz MJZZWZKKZZPBPL-SANMLTNESA-N 0 0 384.567 6.582 50 0 GKAARN FC(F)(F)c1cccc(NC(=S)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000045374243 221963380 /nfs/dbraw/zinc/96/33/80/221963380.db2.gz IJMVRWRHCYAHGQ-MRXNPFEDSA-N 0 0 384.854 5.893 50 0 GKAARN Cc1nc2nc3c(c(Nc4ccc(Oc5ccc(Cl)cc5)cc4)n2n1)CCC3 ZINC000046022616 221968520 /nfs/dbraw/zinc/96/85/20/221968520.db2.gz HEWWQYYYRZPICD-UHFFFAOYSA-N 0 0 391.862 5.111 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)c(OC)c1 ZINC000046076978 221970398 /nfs/dbraw/zinc/97/03/98/221970398.db2.gz KTRZHJKPQYNJQN-INIZCTEOSA-N 0 0 383.444 5.046 50 0 GKAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3F)csc21 ZINC000046076666 221970491 /nfs/dbraw/zinc/97/04/91/221970491.db2.gz NSWRLQZZBBUCJY-INIZCTEOSA-N 0 0 381.472 5.816 50 0 GKAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000048276731 221982899 /nfs/dbraw/zinc/98/28/99/221982899.db2.gz KTMMRXYBTRIGRJ-CYBMUJFWSA-N 0 0 380.916 5.215 50 0 GKAARN Cc1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)n[nH]2)c(C)c1 ZINC000057510961 222035163 /nfs/dbraw/zinc/03/51/63/222035163.db2.gz SBLKTLDXWMXLMS-UHFFFAOYSA-N 0 0 384.361 5.429 50 0 GKAARN Cc1c(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n[nH]c1-c1ccncc1 ZINC000048368543 221991069 /nfs/dbraw/zinc/99/10/69/221991069.db2.gz PZYBURRBZSHFII-UHFFFAOYSA-N 0 0 388.471 5.139 50 0 GKAARN Cc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000051330360 222005146 /nfs/dbraw/zinc/00/51/46/222005146.db2.gz LKLUMFVPFBRWSF-CRMNBRMMSA-N 0 0 392.546 7.104 50 0 GKAARN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000053459788 222010576 /nfs/dbraw/zinc/01/05/76/222010576.db2.gz OKDGZSKGFTYIKU-MRXNPFEDSA-N 0 0 390.430 5.221 50 0 GKAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(C)o2)cc1Cl ZINC000057744330 222035987 /nfs/dbraw/zinc/03/59/87/222035987.db2.gz DEHCRJJMWHNCPG-NRFANRHFSA-N 0 0 398.890 5.062 50 0 GKAARN CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2)no1 ZINC000054539605 222014257 /nfs/dbraw/zinc/01/42/57/222014257.db2.gz RJKIMOGDLYNJGU-KRWDZBQOSA-N 0 0 396.516 5.465 50 0 GKAARN CCCCc1nc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c[nH]1 ZINC000055182586 222016554 /nfs/dbraw/zinc/01/65/54/222016554.db2.gz LRPVEPDPDSOSRE-KRWDZBQOSA-N 0 0 387.531 5.250 50 0 GKAARN COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1ccc(C)s1)C2 ZINC000055310529 222021252 /nfs/dbraw/zinc/02/12/52/222021252.db2.gz GMTXHMQTFKWQEM-UHFFFAOYSA-N 0 0 379.525 5.435 50 0 GKAARN O=C(Oc1cccc(F)c1)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000064977270 222092629 /nfs/dbraw/zinc/09/26/29/222092629.db2.gz WXFYGGWAXORMBE-UHFFFAOYSA-N 0 0 393.801 5.002 50 0 GKAARN COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)c(OC)c1 ZINC000064984899 222092782 /nfs/dbraw/zinc/09/27/82/222092782.db2.gz OYBICJDOXBGTME-IBGZPJMESA-N 0 0 388.895 5.506 50 0 GKAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)no1 ZINC000064984762 222092799 /nfs/dbraw/zinc/09/27/99/222092799.db2.gz AAKBQHVJKDJRGW-OAHLLOKOSA-N 0 0 396.260 5.069 50 0 GKAARN Cc1cccc(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cn2)c1 ZINC000065030023 222096232 /nfs/dbraw/zinc/09/62/32/222096232.db2.gz SMRGRLVTJJRWFA-UHFFFAOYSA-N 0 0 380.447 6.102 50 0 GKAARN Cc1nc(C)c(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)s1 ZINC000065032370 222096626 /nfs/dbraw/zinc/09/66/26/222096626.db2.gz RTOOKFUSHKWODF-UHFFFAOYSA-N 0 0 380.498 5.478 50 0 GKAARN Cc1cc(C)c(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)c(C)c1 ZINC000065031459 222096945 /nfs/dbraw/zinc/09/69/45/222096945.db2.gz OEDJUJFMDKDGHO-UHFFFAOYSA-N 0 0 397.478 5.240 50 0 GKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)s3)no2)cc1 ZINC000065062935 222098139 /nfs/dbraw/zinc/09/81/39/222098139.db2.gz UFQGHHPPQRITSH-HNNXBMFYSA-N 0 0 389.480 5.265 50 0 GKAARN O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000065090306 222099369 /nfs/dbraw/zinc/09/93/69/222099369.db2.gz ATRGUKYXDSAXJV-UHFFFAOYSA-N 0 0 396.471 5.273 50 0 GKAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4cc(C)ccc4C)C3)n2)cc1 ZINC000065135441 222102100 /nfs/dbraw/zinc/10/21/00/222102100.db2.gz LNGVBALZMZEFAU-NRFANRHFSA-N 0 0 385.511 5.089 50 0 GKAARN O=C(CC1CCCCC1)N1CCC[C@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148370 222103950 /nfs/dbraw/zinc/10/39/50/222103950.db2.gz ZOKKTHLXDNUMRB-SFHVURJKSA-N 0 0 396.510 5.036 50 0 GKAARN Cc1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc1 ZINC000065153814 222104444 /nfs/dbraw/zinc/10/44/44/222104444.db2.gz IZLDYJWRUMXFKN-UHFFFAOYSA-N 0 0 380.451 5.075 50 0 GKAARN Cc1ccc(-c2ncc(C(=O)Nc3ccc(C)c(F)c3)c(-c3ccncc3)n2)cc1 ZINC000065153887 222104890 /nfs/dbraw/zinc/10/48/90/222104890.db2.gz PEHAHABJQBXIQZ-UHFFFAOYSA-N 0 0 398.441 5.214 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165140 222104975 /nfs/dbraw/zinc/10/49/75/222104975.db2.gz WQKNICYLPGAWND-UHFFFAOYSA-N 0 0 398.919 5.019 50 0 GKAARN 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/nfs/dbraw/zinc/08/47/03/222084703.db2.gz UUTHJNRHDLALCN-MRXNPFEDSA-N 0 0 399.922 5.167 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000064844872 222085433 /nfs/dbraw/zinc/08/54/33/222085433.db2.gz NYHQKBIEMZNVQX-SDNWHVSQSA-N 0 0 389.455 5.055 50 0 GKAARN Cc1ccc(CNc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)o1 ZINC000064969968 222091377 /nfs/dbraw/zinc/09/13/77/222091377.db2.gz VKJMSZWGULICGM-UHFFFAOYSA-N 0 0 397.438 5.169 50 0 GKAARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000065331315 222124248 /nfs/dbraw/zinc/12/42/48/222124248.db2.gz OLAKQKIEXJBMKY-OAHLLOKOSA-N 0 0 391.780 5.019 50 0 GKAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2cnn(-c3ccc(Cl)cc3)c2N1 ZINC000065331314 222124621 /nfs/dbraw/zinc/12/46/21/222124621.db2.gz OLAKQKIEXJBMKY-HNNXBMFYSA-N 0 0 391.780 5.019 50 0 GKAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000065504882 222131110 /nfs/dbraw/zinc/13/11/10/222131110.db2.gz UTQMENOOWFCVFA-PKOBYXMFSA-N 0 0 380.513 5.510 50 0 GKAARN FC(F)(F)c1cccc(C2(CNc3nc4ccccc4o3)CCOCC2)c1 ZINC000065587311 222135151 /nfs/dbraw/zinc/13/51/51/222135151.db2.gz RRYBWITXQZBYAT-UHFFFAOYSA-N 0 0 376.378 5.007 50 0 GKAARN C[C@H](Nc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12)c1ccccc1 ZINC000067261409 222142077 /nfs/dbraw/zinc/14/20/77/222142077.db2.gz QZMFNPDTBDOSAR-HNNXBMFYSA-N 0 0 383.430 5.257 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1-c1ccc(F)cc1 ZINC000067259218 222142268 /nfs/dbraw/zinc/14/22/68/222142268.db2.gz OURBSXGXZHACNP-UHFFFAOYSA-N 0 0 398.409 5.095 50 0 GKAARN CCCCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O ZINC000067258998 222142340 /nfs/dbraw/zinc/14/23/40/222142340.db2.gz ZPJZDIHZJAXCKV-UHFFFAOYSA-N 0 0 394.584 6.177 50 0 GKAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1 ZINC000067259488 222142621 /nfs/dbraw/zinc/14/26/21/222142621.db2.gz ONILOWPLKLDCAB-UHFFFAOYSA-N 0 0 378.522 5.107 50 0 GKAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 ZINC000067259108 222142645 /nfs/dbraw/zinc/14/26/45/222142645.db2.gz SKTJMKCMRHEVLM-UHFFFAOYSA-N 0 0 396.556 5.121 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1-c1ccc(F)cc1 ZINC000067259215 222142657 /nfs/dbraw/zinc/14/26/57/222142657.db2.gz QMVMMMWRCCARER-UHFFFAOYSA-N 0 0 398.409 5.095 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1-c1ccc(F)cc1 ZINC000067259211 222142726 /nfs/dbraw/zinc/14/27/26/222142726.db2.gz ZIGSIIKVFHIADD-UHFFFAOYSA-N 0 0 396.874 5.471 50 0 GKAARN CSc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067262189 222143469 /nfs/dbraw/zinc/14/34/69/222143469.db2.gz UPPFDMZGJQEDCO-UHFFFAOYSA-N 0 0 397.507 5.279 50 0 GKAARN Cc1c(Cl)cccc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 ZINC000067296143 222143699 /nfs/dbraw/zinc/14/36/99/222143699.db2.gz VPVQSKFNOKRFAJ-NMWGTECJSA-N 0 0 395.871 5.336 50 0 GKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067296101 222144226 /nfs/dbraw/zinc/14/42/26/222144226.db2.gz CWAXTXBWBIPQCR-NKFKGCMQSA-N 0 0 399.834 5.167 50 0 GKAARN Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 ZINC000067293130 222144379 /nfs/dbraw/zinc/14/43/79/222144379.db2.gz MAAUWXGSXIPPMD-LVWGJNHUSA-N 0 0 392.842 5.150 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cccc(F)c1 ZINC000067294509 222144400 /nfs/dbraw/zinc/14/44/00/222144400.db2.gz ROEHIXMHCQBUCX-ROMGYVFFSA-N 0 0 392.817 5.710 50 0 GKAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 ZINC000067339271 222145002 /nfs/dbraw/zinc/14/50/02/222145002.db2.gz XVZGETSKUOHFMU-CSKARUKUSA-N 0 0 383.831 5.305 50 0 GKAARN Cc1ccc2cc(/C=C/C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)oc2c1 ZINC000067339777 222145127 /nfs/dbraw/zinc/14/51/27/222145127.db2.gz QHJKVWBASDJHAQ-CMDGGOBGSA-N 0 0 392.455 5.580 50 0 GKAARN O=C(/C=C/c1cc2cc(Cl)ccc2o1)Nc1ncc(Cc2ccccc2)s1 ZINC000067339205 222145403 /nfs/dbraw/zinc/14/54/03/222145403.db2.gz PIJRDHYWWZBDOM-VQHVLOKHSA-N 0 0 394.883 5.785 50 0 GKAARN Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)Nc1ccccc1C ZINC000067322100 222145668 /nfs/dbraw/zinc/14/56/68/222145668.db2.gz JCWMVYZLJYFKFI-UHFFFAOYSA-N 0 0 392.311 6.063 50 0 GKAARN COc1cccc(-n2nnc(-c3nc(-c4cccc(Cl)c4)cs3)c2C)c1 ZINC000067341617 222147528 /nfs/dbraw/zinc/14/75/28/222147528.db2.gz DNASGDMDCLHWCI-UHFFFAOYSA-N 0 0 382.876 5.028 50 0 GKAARN O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1 ZINC000068267183 222172021 /nfs/dbraw/zinc/17/20/21/222172021.db2.gz WCIGMFCFPXZRMQ-UHFFFAOYSA-N 0 0 399.425 5.114 50 0 in-vitro GKAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1)c1cccs1 ZINC000069973620 222175743 /nfs/dbraw/zinc/17/57/43/222175743.db2.gz OIOOHXGFLYOOER-LJQANCHMSA-N 0 0 382.529 5.185 50 0 GKAARN O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1ccc(Cl)cc1Cl ZINC000071279768 222178475 /nfs/dbraw/zinc/17/84/75/222178475.db2.gz RYPNSSVPFLQONW-UHFFFAOYSA-N 0 0 383.238 5.184 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCc1cccc(Cl)c1 ZINC000071326619 222182431 /nfs/dbraw/zinc/18/24/31/222182431.db2.gz UJMVINFDTWMZSY-UHFFFAOYSA-N 0 0 385.920 5.395 50 0 GKAARN Cc1ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(C)cc2O3)c(O)c1 ZINC000071769608 222195808 /nfs/dbraw/zinc/19/58/08/222195808.db2.gz ANLZZJOGEVHUGL-AOYPEHQESA-N 0 0 376.540 6.689 50 0 GKAARN ClC1(Cl)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000071784989 222197715 /nfs/dbraw/zinc/19/77/15/222197715.db2.gz LGHZLUBSADXXPT-UHFFFAOYSA-N 0 0 392.905 5.871 50 0 GKAARN O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000071887398 222199599 /nfs/dbraw/zinc/19/95/99/222199599.db2.gz WDUSKVPWSCIVGG-CVEARBPZSA-N 0 0 388.414 5.571 50 0 GKAARN CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2C1 ZINC000072078867 222204169 /nfs/dbraw/zinc/20/41/69/222204169.db2.gz FBWNBKFIPKRGGM-KRWDZBQOSA-N 0 0 397.588 5.011 50 0 GKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCCCF)c2ccccc12 ZINC000073069265 222266098 /nfs/dbraw/zinc/26/60/98/222266098.db2.gz COYHGVCHRRXECF-UHFFFAOYSA-N 0 0 382.523 5.480 50 0 in-vitro GKAARN Cc1ccsc1C(=O)Nc1ccc(N(C)C(=O)c2sccc2C)c(F)c1 ZINC000072300836 222220197 /nfs/dbraw/zinc/22/01/97/222220197.db2.gz UJLYVIIQHDHQEU-UHFFFAOYSA-N 0 0 388.489 5.094 50 0 GKAARN Cc1cc(O)c(-c2cc(C(=O)Nc3cccc4ccccc43)n[nH]2)cc1Cl ZINC000072427472 222259929 /nfs/dbraw/zinc/25/99/29/222259929.db2.gz YEVPGWHCKAXNTH-UHFFFAOYSA-N 0 0 377.831 5.150 50 0 GKAARN Cc1ccc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)nn1 ZINC000072446873 222262907 /nfs/dbraw/zinc/26/29/07/222262907.db2.gz BEOYLUNOPWRBGE-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN CC(C)c1nccn1CC1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000085436358 222323156 /nfs/dbraw/zinc/32/31/56/222323156.db2.gz ZNMFOUFFPFAJIP-UHFFFAOYSA-N 0 0 382.552 5.248 50 0 GKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccccc2OC)cc1 ZINC000085808429 222325039 /nfs/dbraw/zinc/32/50/39/222325039.db2.gz QSQFMSLQWCPZEW-UHFFFAOYSA-N 0 0 385.467 6.050 50 0 GKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000085808354 222325883 /nfs/dbraw/zinc/32/58/83/222325883.db2.gz LWBQBIIVFFSKQZ-UHFFFAOYSA-N 0 0 385.423 5.516 50 0 GKAARN COc1ccccc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000085808062 222325919 /nfs/dbraw/zinc/32/59/19/222325919.db2.gz VMXHYGOMELPTLJ-UHFFFAOYSA-N 0 0 375.403 5.627 50 0 GKAARN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000092868539 222328594 /nfs/dbraw/zinc/32/85/94/222328594.db2.gz QWCCKYKKUOFBFZ-MRXNPFEDSA-N 0 0 380.414 5.195 50 0 GKAARN O=S(=O)(Cc1ccccc1)c1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000094992793 222329678 /nfs/dbraw/zinc/32/96/78/222329678.db2.gz XDHZDRXUVJRXNQ-UHFFFAOYSA-N 0 0 391.517 5.451 50 0 GKAARN O=C(c1cc2ccccc2o1)N1CCC(COCc2ccc(Cl)cc2)CC1 ZINC000077191588 222275874 /nfs/dbraw/zinc/27/58/74/222275874.db2.gz HCCZABCITSVHNZ-UHFFFAOYSA-N 0 0 383.875 5.155 50 0 GKAARN CCCSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344163 222306454 /nfs/dbraw/zinc/30/64/54/222306454.db2.gz GMGRDYZGGZRWMH-RYUDHWBXSA-N 0 0 388.345 5.089 50 0 GKAARN Cc1ccc2nc(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000080344328 222306894 /nfs/dbraw/zinc/30/68/94/222306894.db2.gz KHKRJTQBZQLJFF-KBPBESRZSA-N 0 0 377.296 5.654 50 0 GKAARN COc1ccc2nc(NC(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000080344246 222307318 /nfs/dbraw/zinc/30/73/18/222307318.db2.gz DFXODPGCYCSJRF-KBPBESRZSA-N 0 0 393.295 5.354 50 0 GKAARN O[C@@H](COc1ccc(Cl)cc1)Cn1c2ccccc2nc1C1CCCCC1 ZINC000082086476 222308087 /nfs/dbraw/zinc/30/80/87/222308087.db2.gz XWVMWAYNGNFBFN-GOSISDBHSA-N 0 0 384.907 5.177 50 0 GKAARN Cc1ccc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000084142561 222314564 /nfs/dbraw/zinc/31/45/64/222314564.db2.gz HCLYVTAYXLMFGM-QGZVFWFLSA-N 0 0 381.328 5.624 50 0 GKAARN Cc1ccccc1OCCCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000084247587 222315067 /nfs/dbraw/zinc/31/50/67/222315067.db2.gz DABYMEUTCBOSOQ-IBGZPJMESA-N 0 0 394.540 5.518 50 0 GKAARN CSC1=NC(=CNc2ccccc2Cl)C(=O)N1Cc1cccc(Cl)c1 ZINC000095629542 222358986 /nfs/dbraw/zinc/35/89/86/222358986.db2.gz WHUKTNQXSAWLKI-YBEGLDIGSA-N 0 0 392.311 5.008 50 0 GKAARN Cc1ccc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c(Br)c1 ZINC000096525577 222421276 /nfs/dbraw/zinc/42/12/76/222421276.db2.gz SZAZVHJCPUCWLO-UITAMQMPSA-N 0 0 382.204 5.011 50 0 GKAARN CSc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)c(Cl)cc1Cl ZINC000095965957 222364939 /nfs/dbraw/zinc/36/49/39/222364939.db2.gz PPFIQYPXFBIUQP-UHFFFAOYSA-N 0 0 396.324 5.486 50 0 GKAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2ccccn2)ccc1Cl ZINC000095974524 222367354 /nfs/dbraw/zinc/36/73/54/222367354.db2.gz HYJYHPUGVKVZOM-UHFFFAOYSA-N 0 0 392.871 5.173 50 0 GKAARN Cc1sc(NC(=O)c2scnc2C2CC2)nc1-c1ccc2c(c1)CCCO2 ZINC000095976520 222367424 /nfs/dbraw/zinc/36/74/24/222367424.db2.gz ZMWHVHKNLQLNRI-UHFFFAOYSA-N 0 0 397.525 5.030 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2cccc(Cl)c2n1 ZINC000096002310 222368748 /nfs/dbraw/zinc/36/87/48/222368748.db2.gz BWLHSSJBQKSBJI-UHFFFAOYSA-N 0 0 395.821 5.254 50 0 GKAARN Cc1noc(Cc2ccccc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000096097051 222379858 /nfs/dbraw/zinc/37/98/58/222379858.db2.gz CQTMAVFOJPBWQK-UHFFFAOYSA-N 0 0 395.890 5.073 50 0 GKAARN COc1cccc(C(=O)c2coc3ccc(OCc4cccc(F)c4)cc23)c1 ZINC000096184076 222397313 /nfs/dbraw/zinc/39/73/13/222397313.db2.gz XLFFHUFMDSQHAX-UHFFFAOYSA-N 0 0 376.383 5.391 50 0 GKAARN Cc1ccc([C@@H](NC(=O)/C=C\c2ccc(Br)o2)c2ccccc2)cc1 ZINC000096578924 222422489 /nfs/dbraw/zinc/42/24/89/222422489.db2.gz XTFNKDKHHVQGDE-KGXYIWNSSA-N 0 0 396.284 5.270 50 0 GKAARN CCNC(=O)[C@@H](C)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl ZINC000096279401 222408836 /nfs/dbraw/zinc/40/88/36/222408836.db2.gz KRHLJXVPQCIXAM-OAHLLOKOSA-N 0 0 399.947 5.435 50 0 GKAARN Cc1ccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1C ZINC000096324246 222412758 /nfs/dbraw/zinc/41/27/58/222412758.db2.gz QKRJINXVMAGKKT-UHFFFAOYSA-N 0 0 393.446 5.325 50 0 GKAARN COc1ccc(OC)c(/C=C\C(=O)N(Cc2cccs2)Cc2cccs2)c1 ZINC000096872998 222427446 /nfs/dbraw/zinc/42/74/46/222427446.db2.gz QAUXUTCBGDLTFV-YFHOEESVSA-N 0 0 399.537 5.069 50 0 GKAARN CC[C@@]1(CCCCCCCCCCCCCCC(=O)OC)OCC(C)(C)N1O ZINC000100078611 222455422 /nfs/dbraw/zinc/45/54/22/222455422.db2.gz XVQIOHOXFFTSLD-QHCPKHFHSA-N 0 0 398.608 6.183 50 0 GKAARN O=C1CCC[C@@]2(C1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000100671145 222460738 /nfs/dbraw/zinc/46/07/38/222460738.db2.gz BMWODHDUVUFOMY-FPOVZHCZSA-N 0 0 384.838 5.345 50 0 GKAARN COC1=Cc2ccc3c(c2CC1)CC[C@]1(C)[C@H]3CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000101125741 222467531 /nfs/dbraw/zinc/46/75/31/222467531.db2.gz HGMNCWQJFNALQH-ZIIOBXJTSA-N 0 0 394.643 7.775 50 0 GKAARN CCc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000101223228 222469336 /nfs/dbraw/zinc/46/93/36/222469336.db2.gz GJQBOELVJHDTPZ-DEOSSOPVSA-N 0 0 378.479 5.564 50 0 GKAARN Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(C(F)(F)F)nn32)c1 ZINC000102241008 222480377 /nfs/dbraw/zinc/48/03/77/222480377.db2.gz YXBJNNBCPQLVQZ-KRWDZBQOSA-N 0 0 388.368 5.109 50 0 GKAARN CCC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102807843 222485291 /nfs/dbraw/zinc/48/52/91/222485291.db2.gz KFWQCMIQRYNUMJ-QHCPKHFHSA-N 0 0 390.483 5.873 50 0 GKAARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2F)C3)cc1 ZINC000102882499 222487448 /nfs/dbraw/zinc/48/74/48/222487448.db2.gz SEWLDDFFBVYFEK-HFJWLAOPSA-N 0 0 398.481 6.763 50 0 GKAARN CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@@H](c3ccccc3)[C@@H]1[C@@H]2C ZINC000105363983 222505408 /nfs/dbraw/zinc/50/54/08/222505408.db2.gz XPNCKFMJHYMAMG-DYJOPPPLSA-N 0 0 391.511 5.841 50 0 biogenic GKAARN Cc1csc(-c2ccc(NC(=O)N3CCC[C@@H](c4nc(C)cs4)C3)cc2)n1 ZINC000170643975 222561478 /nfs/dbraw/zinc/56/14/78/222561478.db2.gz KRYMUZBLRRJRNZ-MRXNPFEDSA-N 0 0 398.557 5.295 50 0 GKAARN C[S@@](=O)Cc1ccc(Cl)c(NCc2cc(-c3ccc(Cl)cc3)no2)c1 ZINC000174876988 222563491 /nfs/dbraw/zinc/56/34/91/222563491.db2.gz MPRRNYSACVBUMZ-RUZDIDTESA-N 0 0 395.311 5.139 50 0 GKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000013356365 533721584 /nfs/dbraw/zinc/72/15/84/533721584.db2.gz SZHNRHQXCRZKFE-UHFFFAOYSA-N 0 0 381.479 5.717 50 0 GKAARN Cc1c(C)c(C(=O)N(C)Cc2ccccc2)n(Cc2ccc(F)c(F)c2)c1C ZINC000006801759 533824089 /nfs/dbraw/zinc/82/40/89/533824089.db2.gz HBZLDWIGXPXNGX-UHFFFAOYSA-N 0 0 382.454 5.012 50 0 GKAARN C[C@@H]1C[C@H](N2CSC(=S)N([C@H]3C[C@@H](C)CC(C)(C)C3)C2)CC(C)(C)C1 ZINC000105276964 533904406 /nfs/dbraw/zinc/90/44/06/533904406.db2.gz ODNFMXWLLCNLGE-BDXSIMOUSA-N 0 0 382.683 5.967 50 0 GKAARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4F)c3)oc2cc1C ZINC000004954247 534128424 /nfs/dbraw/zinc/12/84/24/534128424.db2.gz MRAMUMXRXMAGJE-UHFFFAOYSA-N 0 0 394.833 6.156 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000001158202 534149019 /nfs/dbraw/zinc/14/90/19/534149019.db2.gz ZYGFTTANDXHDQF-UHFFFAOYSA-N 0 0 379.070 5.626 50 0 GKAARN CC(C)(C)CC(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000005106856 517375342 /nfs/dbraw/zinc/37/53/42/517375342.db2.gz QXZBNOFTRYDNNK-UHFFFAOYSA-N 0 0 384.863 5.713 50 0 GKAARN CCN(CC)c1ccc2cc(-c3nc(-c4ccccc4Cl)no3)c(=O)oc2c1 ZINC000057994716 517641537 /nfs/dbraw/zinc/64/15/37/517641537.db2.gz ZQRUWUIGBXZVHD-UHFFFAOYSA-N 0 0 395.846 5.010 50 0 GKAARN CCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 ZINC000002244942 517733674 /nfs/dbraw/zinc/73/36/74/517733674.db2.gz NBDOKIZLIYLRDO-UHFFFAOYSA-N 0 0 396.494 5.225 50 0 biogenic GKAARN CC[C@@H](C)Sc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000004382958 517760560 /nfs/dbraw/zinc/76/05/60/517760560.db2.gz CUIMPVGWUUSQNC-SNVBAGLBSA-N 0 0 388.842 5.897 50 0 GKAARN CC[C@H](NC(=O)c1ccc(COc2ccccc2OC)o1)c1ccc(C)cc1 ZINC000028237049 517825175 /nfs/dbraw/zinc/82/51/75/517825175.db2.gz NJEPPJSVSNOTJY-IBGZPJMESA-N 0 0 379.456 5.057 50 0 GKAARN O=C(CCC1CCCCC1)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000001131637 534334114 /nfs/dbraw/zinc/33/41/14/534334114.db2.gz MGCYHVLSFMZFKJ-UHFFFAOYSA-N 0 0 379.913 5.070 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000004196060 518186345 /nfs/dbraw/zinc/18/63/45/518186345.db2.gz YCPFEMNHQKECEN-UHFFFAOYSA-N 0 0 394.268 5.634 50 0 GKAARN FC(F)(F)c1cc(-c2cccs2)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000012139019 518195911 /nfs/dbraw/zinc/19/59/11/518195911.db2.gz WRQKWJLMIHLKOC-UHFFFAOYSA-N 0 0 392.431 5.393 50 0 GKAARN O=C(c1ccccc1Nc1ccccc1)N1CCC(OCc2ccccc2)CC1 ZINC000040017380 518202169 /nfs/dbraw/zinc/20/21/69/518202169.db2.gz RWGUBIXEFSHCGV-UHFFFAOYSA-N 0 0 386.495 5.252 50 0 GKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000000825997 519473949 /nfs/dbraw/zinc/47/39/49/519473949.db2.gz JTPBHSOTKJMPKR-KOSHJBKYSA-N 0 0 384.479 5.220 50 0 GKAARN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000000825996 519474219 /nfs/dbraw/zinc/47/42/19/519474219.db2.gz JTPBHSOTKJMPKR-UUOWRZLLSA-N 0 0 384.479 5.220 50 0 GKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000000825994 519474504 /nfs/dbraw/zinc/47/45/04/519474504.db2.gz JTPBHSOTKJMPKR-MHECFPHRSA-N 0 0 384.479 5.220 50 0 GKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(C)cc2)c2ccccc2)C[C@H]1C ZINC000000828876 519640697 /nfs/dbraw/zinc/64/06/97/519640697.db2.gz GCYCCLLYGCJMGL-KBMIEXCESA-N 0 0 398.506 5.528 50 0 GKAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4C[C@@H](C)[C@](C)(C(C)=O)[C@]4(C)CC[C@@H]32)C1 ZINC000253502124 519756938 /nfs/dbraw/zinc/75/69/38/519756938.db2.gz CYQDBDOFCYSROZ-UBZGGISMSA-N 0 0 386.576 5.722 50 0 GKAARN CCCC(CCC)C(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1 ZINC000002154377 519883793 /nfs/dbraw/zinc/88/37/93/519883793.db2.gz HQGSQVJAAVYJGE-UHFFFAOYSA-N 0 0 377.488 5.867 50 0 GKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CCc1ccccc1 ZINC000000828391 520687802 /nfs/dbraw/zinc/68/78/02/520687802.db2.gz ZETPGSWDRUSIGL-UHFFFAOYSA-N 0 0 397.590 6.421 50 0 GKAARN c1coc(-c2cc(CSc3nc(-c4ccco4)nc4ccccc43)no2)c1 ZINC000022189080 534514372 /nfs/dbraw/zinc/51/43/72/534514372.db2.gz AEZCCPFINSRZLF-UHFFFAOYSA-N 0 0 375.409 5.430 50 0 GKAARN CCOc1ccc2nc(N(Cc3ccccn3)C(=O)C3CCCCC3)sc2c1 ZINC000010187625 521298952 /nfs/dbraw/zinc/29/89/52/521298952.db2.gz DAULEGIBCFQSNS-UHFFFAOYSA-N 0 0 395.528 5.204 50 0 GKAARN COC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000719588 522280356 /nfs/dbraw/zinc/28/03/56/522280356.db2.gz SEFPOGFGLQJCNQ-UHFFFAOYSA-N 0 0 376.437 5.308 50 0 aggregator,biogenic GKAARN O=C(c1ccc(-c2ccc3occc3c2)cc1)N1CCCC2(CCOCC2)C1 ZINC000426661882 534680160 /nfs/dbraw/zinc/68/01/60/534680160.db2.gz ARGDLLDJYVYZLE-UHFFFAOYSA-N 0 0 375.468 5.133 50 0 GKAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc2cccnc21 ZINC000008231318 523192463 /nfs/dbraw/zinc/19/24/63/523192463.db2.gz UYEGEIMHUTXUQW-UHFFFAOYSA-N 0 0 376.843 5.420 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)ccc21 ZINC000024751332 523277413 /nfs/dbraw/zinc/27/74/13/523277413.db2.gz REEGUEPSAJNMGH-UHFFFAOYSA-N 0 0 399.372 5.186 50 0 GKAARN CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C1C2CC3CC(C2)CC1C3 ZINC000023153161 523812383 /nfs/dbraw/zinc/81/23/83/523812383.db2.gz NXWSYBXPYJWUKE-UHFFFAOYSA-N 0 0 398.934 5.211 50 0 GKAARN O=C(NC1CCCCCC1)c1ccc(N2CCOc3ccc(Cl)cc32)s1 ZINC000006915395 534796819 /nfs/dbraw/zinc/79/68/19/534796819.db2.gz PSSJGXFZLRPZMK-UHFFFAOYSA-N 0 0 390.936 5.385 50 0 GKAARN Cc1ccccc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000002093607 525270741 /nfs/dbraw/zinc/27/07/41/525270741.db2.gz QWGVWYSEPHRGEB-UHFFFAOYSA-N 0 0 390.285 6.632 50 0 GKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc2c(c1)OCO2 ZINC000000828380 525275868 /nfs/dbraw/zinc/27/58/68/525275868.db2.gz BHSQYQUQOZJMJA-OXQOHEQNSA-N 0 0 386.451 5.008 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(F)cc1)[C@H]2O ZINC000253499526 525348513 /nfs/dbraw/zinc/34/85/13/525348513.db2.gz PMEHFZAZGYAERC-SEHSWCOWSA-N 0 0 396.546 5.504 50 0 GKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1 ZINC000000753340 525450014 /nfs/dbraw/zinc/45/00/14/525450014.db2.gz JQYREBXPZWEONB-VGSWGCGISA-N 0 0 390.458 5.183 50 0 GKAARN Cc1ccc(Oc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000002652023 525473340 /nfs/dbraw/zinc/47/33/40/525473340.db2.gz WVFVVPDXDSSCNN-WLRTZDKTSA-N 0 0 398.289 6.746 50 0 GKAARN CC(=O)c1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000003452618 534858708 /nfs/dbraw/zinc/85/87/08/534858708.db2.gz GVLVATHZIRSQCM-UHFFFAOYSA-N 0 0 388.492 5.521 50 0 GKAARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)o1 ZINC000029884838 525508050 /nfs/dbraw/zinc/50/80/50/525508050.db2.gz PDPVRLWRXPMGMT-QVKFZJNVSA-N 0 0 391.442 5.045 50 0 GKAARN Cc1c2ccccc2oc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000003322873 525983695 /nfs/dbraw/zinc/98/36/95/525983695.db2.gz OVPZCRFFQJMEIP-UHFFFAOYSA-N 0 0 385.419 5.204 50 0 GKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1cccs1 ZINC000000721730 526134230 /nfs/dbraw/zinc/13/42/30/526134230.db2.gz AWHOWXLWENYGBL-UHFFFAOYSA-N 0 0 389.592 6.472 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)c1cccs1)C(C)(C)c1ssc(=S)c1-2 ZINC000000828389 526168003 /nfs/dbraw/zinc/16/80/03/526168003.db2.gz WEIUDNTXUBFJAJ-UHFFFAOYSA-N 0 0 389.592 6.472 50 0 GKAARN O=C(CCCc1c[nH]c2ccccc12)OCc1csc(-c2ccccc2)n1 ZINC000005426621 526455190 /nfs/dbraw/zinc/45/51/90/526455190.db2.gz UAGXVCKXIMUODV-UHFFFAOYSA-N 0 0 376.481 5.358 50 0 GKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccs1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414181 526525009 /nfs/dbraw/zinc/52/50/09/526525009.db2.gz QMFRKQAKZFATII-HXUWFJFHSA-N 0 0 391.496 5.133 50 0 GKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccccc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413502 526525254 /nfs/dbraw/zinc/52/52/54/526525254.db2.gz FUNVDLVAEKAGQR-NRFANRHFSA-N 0 0 385.467 5.072 50 0 GKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccsc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414604 526525483 /nfs/dbraw/zinc/52/54/83/526525483.db2.gz XZFSLFZOFRMAJB-LJQANCHMSA-N 0 0 391.496 5.133 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc2ccc(Cl)cc2s1 ZINC000011504172 526657626 /nfs/dbraw/zinc/65/76/26/526657626.db2.gz JKPONVCXTFHJLL-UHFFFAOYSA-N 0 0 383.860 5.176 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002085305 526766147 /nfs/dbraw/zinc/76/61/47/526766147.db2.gz APYPZPQGXQCJGS-UHFFFAOYSA-N 0 0 396.383 5.954 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000033123803 527135879 /nfs/dbraw/zinc/13/58/79/527135879.db2.gz NFKMTKCAXDFKLO-UHFFFAOYSA-N 0 0 395.384 6.498 50 0 GKAARN O=C(Nc1cccc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000734118 527383532 /nfs/dbraw/zinc/38/35/32/527383532.db2.gz ZDBDWTFTEAQSDJ-UHFFFAOYSA-N 0 0 399.416 5.213 50 0 GKAARN O=C(Nc1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccco1 ZINC000008186033 527426685 /nfs/dbraw/zinc/42/66/85/527426685.db2.gz DAHVDJVVDPUBLV-UHFFFAOYSA-N 0 0 375.211 5.091 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000001807790 528132001 /nfs/dbraw/zinc/13/20/01/528132001.db2.gz RUUOZNGUOXHDLI-CQSZACIVSA-N 0 0 399.556 5.599 50 0 GKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(F)(F)F)c1 ZINC000033292554 528581987 /nfs/dbraw/zinc/58/19/87/528581987.db2.gz GDGOLASCFNATAT-UHFFFAOYSA-N 0 0 389.377 5.267 50 0 GKAARN CCOc1cccc(-c2cccc(C(=O)N(C)Cc3cc(C(C)C)no3)c2)c1 ZINC000426401923 528626372 /nfs/dbraw/zinc/62/63/72/528626372.db2.gz QGRPXQOHIHERGH-UHFFFAOYSA-N 0 0 378.472 5.136 50 0 GKAARN CCCc1nc(C)c(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)s1 ZINC000106286145 528713923 /nfs/dbraw/zinc/71/39/23/528713923.db2.gz UXALMWUQEKELLM-UHFFFAOYSA-N 0 0 390.512 5.279 50 0 GKAARN CC(C)Cn1cnc2c(c1=N)[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000101100375 528742344 /nfs/dbraw/zinc/74/23/44/528742344.db2.gz CQHJUOHKLDFTBK-OAQYLSRUSA-N 0 0 381.479 5.458 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226918 528746387 /nfs/dbraw/zinc/74/63/87/528746387.db2.gz SLFIGCWGIXPCBH-GQIGUUNPSA-N 0 0 396.560 5.554 50 0 GKAARN CC[C@H]1CCc2sc(C(=O)NCc3csc(-c4cccc(C)c4)n3)cc2C1 ZINC000006489684 529259171 /nfs/dbraw/zinc/25/91/71/529259171.db2.gz RRECYCHAAAZWKP-HNNXBMFYSA-N 0 0 396.581 5.625 50 0 GKAARN CCCC1CCC(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)CC1 ZINC000072193662 534917990 /nfs/dbraw/zinc/91/79/90/534917990.db2.gz TUFLRQDOTHPYAF-UHFFFAOYSA-N 0 0 376.972 6.121 50 0 GKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1c(C)cc(C)cc1C)CO3 ZINC000002113107 535776849 /nfs/dbraw/zinc/77/68/49/535776849.db2.gz JMHIKAOMZAIDCN-UHFFFAOYSA-N 0 0 377.484 5.336 50 0 biogenic GKAARN COC1CCN(c2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc2)CC1 ZINC000096122390 536757883 /nfs/dbraw/zinc/75/78/83/536757883.db2.gz SAIRNIUKQUMGFS-UHFFFAOYSA-N 0 0 392.524 5.283 50 0 GKAARN ClC(Cl)=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000002566913 560188069 /nfs/dbraw/zinc/18/80/69/560188069.db2.gz RUYUCCQRWINUHE-UHFFFAOYSA-N 0 0 379.712 7.296 50 0 in-vitro GKAARN C[N@H+](CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)[O-] ZINC000003996003 560193137 /nfs/dbraw/zinc/19/31/37/560193137.db2.gz FDORQEIHOKEJNX-HSZRJFAPSA-N 0 0 393.458 5.019 50 0 in-vitro GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004097813 560194968 /nfs/dbraw/zinc/19/49/68/560194968.db2.gz OILXMJHPFNGGTO-ZAUYPBDWSA-N 0 0 398.675 7.411 50 0 biogenic,in-vitro GKAARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000005195910 560201341 /nfs/dbraw/zinc/20/13/41/560201341.db2.gz FJDPATXIBIBRIM-YPAWHYETSA-N 0 0 375.468 5.825 50 0 in-man GKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(F)cc2)cc1 ZINC000012420656 560212046 /nfs/dbraw/zinc/21/20/46/560212046.db2.gz MAPYRMBCXVPHDO-RUZDIDTESA-N 0 0 386.470 5.463 50 0 biogenic,in-vitro GKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1cccc(O)c1 ZINC000013760077 560220325 /nfs/dbraw/zinc/22/03/25/560220325.db2.gz ZWSMMQKRRVRXBA-DOFZRALJSA-N 0 0 395.587 7.476 50 0 in-vitro GKAARN Cc1ccc(C)c(NC(=O)[C@@H](N[C@H]2CCCc3ccccc32)c2ccccc2)c1 ZINC000006086220 570210271 /nfs/dbraw/zinc/21/02/71/570210271.db2.gz QVUCQRRTJLTYFT-ZCYQVOJMSA-N 0 0 384.523 5.650 50 0 GKAARN Cc1c(OCC(=O)c2ccc3ccccc3c2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000622105 570210632 /nfs/dbraw/zinc/21/06/32/570210632.db2.gz PEYFVLJRJSQZGL-UHFFFAOYSA-N 0 0 398.458 5.395 50 0 GKAARN CCC(=O)Oc1ccc(/C(CC)=C(\CC)c2ccc(OC(=O)CC)cc2)cc1 ZINC000000608323 570210650 /nfs/dbraw/zinc/21/06/50/570210650.db2.gz VZMLEMYJUIIHNF-QURGRASLSA-N 0 0 380.484 6.048 50 0 in-man GKAARN Cc1oc2ccc(OCC(=O)c3ccc(Cl)cc3)cc2c1C(=O)OC(C)C ZINC000000623758 570211111 /nfs/dbraw/zinc/21/11/11/570211111.db2.gz USNHUCAQTGKBIM-UHFFFAOYSA-N 0 0 386.831 5.222 50 0 GKAARN Cc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)[C@H]2CCCCC2=O)cc1 ZINC000000624344 570211140 /nfs/dbraw/zinc/21/11/40/570211140.db2.gz IARYZFYJKFMXML-WOJBJXKFSA-N 0 0 399.328 5.873 50 0 GKAARN Cc1ccc([C@H](CC(=O)c2ccc(Br)cc2)[C@H]2CCCCC2=O)cc1 ZINC000000624346 570211142 /nfs/dbraw/zinc/21/11/42/570211142.db2.gz IARYZFYJKFMXML-UXHICEINSA-N 0 0 399.328 5.873 50 0 GKAARN CC(C)Oc1ccccc1NCc1cccc(OCCOc2ccccc2)c1 ZINC000019737487 570211793 /nfs/dbraw/zinc/21/17/93/570211793.db2.gz SWGZMMXNBROJRH-UHFFFAOYSA-N 0 0 377.484 5.544 50 0 GKAARN Cc1cccc(C)c1OCCNc1ccccc1OCCCc1ccccc1 ZINC000019738450 570211822 /nfs/dbraw/zinc/21/18/22/570211822.db2.gz UIQZDYYKQXTJIK-UHFFFAOYSA-N 0 0 375.512 5.806 50 0 GKAARN Cc1cc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)ccc1Br ZINC000000634891 570212580 /nfs/dbraw/zinc/21/25/80/570212580.db2.gz LYRUZEVWVPEXMU-HXUWFJFHSA-N 0 0 393.284 5.529 50 0 GKAARN O=C(N[C@@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000000637007 570212942 /nfs/dbraw/zinc/21/29/42/570212942.db2.gz MFGDLJJZTDLRGF-NRFANRHFSA-N 0 0 381.884 5.071 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)c(Cl)c2)sc2c1CCCC2 ZINC000000637465 570212960 /nfs/dbraw/zinc/21/29/60/570212960.db2.gz MEAHBXHGQRRQLG-UHFFFAOYSA-N 0 0 377.893 5.018 50 0 GKAARN O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1cc(F)c(F)cc1Cl ZINC000000643465 570213577 /nfs/dbraw/zinc/21/35/77/570213577.db2.gz UQDPSPYBLDAJTQ-UHFFFAOYSA-N 0 0 377.799 5.163 50 0 GKAARN COc1ccc(C2C3=C(CC(C)(C)C(=O)C3)OC3=C2CC(=O)C(C)(C)C3)cc1 ZINC000000643499 570213580 /nfs/dbraw/zinc/21/35/80/570213580.db2.gz CWWBTKIETCIBIZ-UHFFFAOYSA-N 0 0 380.484 5.095 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 ZINC000000643244 570213666 /nfs/dbraw/zinc/21/36/66/570213666.db2.gz JNDRUYPSMYLRNW-JOCHJYFZSA-N 0 0 385.854 5.659 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)c(C)c1 ZINC000000648850 570214234 /nfs/dbraw/zinc/21/42/34/570214234.db2.gz UGNNJRYQKWEMKV-UHFFFAOYSA-N 0 0 397.569 5.226 50 0 GKAARN O=C(c1ccccc1)[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1 ZINC000000652187 570214245 /nfs/dbraw/zinc/21/42/45/570214245.db2.gz IPKIAEQEURBQOR-OAQYLSRUSA-N 0 0 396.475 5.222 50 0 GKAARN Cc1sc(NC(=O)c2csc3c2CCCC3)c(C(=O)OC(C)C)c1C ZINC000000652121 570214296 /nfs/dbraw/zinc/21/42/96/570214296.db2.gz GMAZRHNTKMLBFO-UHFFFAOYSA-N 0 0 377.531 5.123 50 0 GKAARN CCc1cccc(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1 ZINC000047706165 570214496 /nfs/dbraw/zinc/21/44/96/570214496.db2.gz YSBDFRDZRNJMJR-UHFFFAOYSA-N 0 0 390.430 5.056 50 0 GKAARN Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)[C@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000000662797 570215003 /nfs/dbraw/zinc/21/50/03/570215003.db2.gz WQKUPEGKMDLING-PKOBYXMFSA-N 0 0 380.495 5.878 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000657358 570215105 /nfs/dbraw/zinc/21/51/05/570215105.db2.gz GNUCALOSSOZNKP-VIFPVBQESA-N 0 0 393.097 5.384 50 0 GKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000000662480 570215106 /nfs/dbraw/zinc/21/51/06/570215106.db2.gz VEOWIIWGSZYCNY-JOCHJYFZSA-N 0 0 398.911 5.436 50 0 GKAARN Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000000662792 570215126 /nfs/dbraw/zinc/21/51/26/570215126.db2.gz WQKUPEGKMDLING-MJGOQNOKSA-N 0 0 380.495 5.878 50 0 GKAARN O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000669449 570215347 /nfs/dbraw/zinc/21/53/47/570215347.db2.gz PUNKMMWHBDNKFT-CMDGGOBGSA-N 0 0 395.717 5.009 50 0 GKAARN Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1F ZINC000000671460 570215760 /nfs/dbraw/zinc/21/57/60/570215760.db2.gz NBRLJPZKBXMBHC-UHFFFAOYSA-N 0 0 388.236 5.067 50 0 GKAARN COc1ccc(OC)c(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1 ZINC000000675342 570216060 /nfs/dbraw/zinc/21/60/60/570216060.db2.gz BQQCVRPPYUBJRU-UHFFFAOYSA-N 0 0 392.293 5.016 50 0 GKAARN CC[C@@H](C)OC(=O)c1c2c(sc1NC(=O)/C=C/c1ccc(C)o1)CCCC2 ZINC000000673028 570216073 /nfs/dbraw/zinc/21/60/73/570216073.db2.gz SNTDSXJNENEOJU-XZHRJIJLSA-N 0 0 387.501 5.136 50 0 GKAARN O=C(COc1ccc2ccccc2c1Br)Oc1ccc(Cl)cc1 ZINC000000676623 570216162 /nfs/dbraw/zinc/21/61/62/570216162.db2.gz OAECHWSXZYLYSW-UHFFFAOYSA-N 0 0 391.648 5.240 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000677402 570216382 /nfs/dbraw/zinc/21/63/82/570216382.db2.gz WIYRMFCOHDMICP-UHFFFAOYSA-N 0 0 381.646 5.863 50 0 GKAARN O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(C2SCCCS2)cc1 ZINC000047927552 570216274 /nfs/dbraw/zinc/21/62/74/570216274.db2.gz WTZDPHXHGMQCHU-UHFFFAOYSA-N 0 0 396.537 5.140 50 0 GKAARN CCCn1c2ccccc2nc1SCC(=O)c1ccc(Br)cc1 ZINC000000677790 570216338 /nfs/dbraw/zinc/21/63/38/570216338.db2.gz NEYPISYDZYTOFC-UHFFFAOYSA-N 0 0 389.318 5.184 50 0 GKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000000682255 570217038 /nfs/dbraw/zinc/21/70/38/570217038.db2.gz SXBUDKKHQRMCED-UHFFFAOYSA-N 0 0 385.813 5.808 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)c(C)c1 ZINC000000682606 570217112 /nfs/dbraw/zinc/21/71/12/570217112.db2.gz YIFLSUXGPXQWDA-UHFFFAOYSA-N 0 0 387.302 5.442 50 0 GKAARN Cc1cc(NC(=O)CSc2nc3ccccc3s2)ccc1Br ZINC000000681992 570217178 /nfs/dbraw/zinc/21/71/78/570217178.db2.gz RZLSCYHKUILFDT-UHFFFAOYSA-N 0 0 393.331 5.098 50 0 GKAARN Cc1ccc(C)c(NC(=O)c2ccc(Br)cc2Br)c1 ZINC000000682550 570217200 /nfs/dbraw/zinc/21/72/00/570217200.db2.gz XENONKKKVMUJLW-UHFFFAOYSA-N 0 0 383.083 5.081 50 0 GKAARN CCOc1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 ZINC000000682226 570217224 /nfs/dbraw/zinc/21/72/24/570217224.db2.gz PZYHOBQTXPMFGO-UHFFFAOYSA-N 0 0 390.464 5.740 50 0 GKAARN Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1Cl ZINC000000682946 570217476 /nfs/dbraw/zinc/21/74/76/570217476.db2.gz VMGQGCYJLHDQRT-MRXNPFEDSA-N 0 0 377.871 5.622 50 0 GKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000683112 570217491 /nfs/dbraw/zinc/21/74/91/570217491.db2.gz RUKYYXPBUPKFLL-MRXNPFEDSA-N 0 0 393.870 5.285 50 0 GKAARN COc1cc(OC)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1Cl ZINC000000682922 570217518 /nfs/dbraw/zinc/21/75/18/570217518.db2.gz GGNRVFSTUIUAIO-CQSZACIVSA-N 0 0 375.896 5.298 50 0 GKAARN COC(=O)c1c(NC(=O)c2ccc(F)cc2)scc1-c1ccc(Cl)cc1 ZINC000000685863 570217913 /nfs/dbraw/zinc/21/79/13/570217913.db2.gz YHIIPZNVJOGEDK-UHFFFAOYSA-N 0 0 389.835 5.247 50 0 GKAARN COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000000689063 570218382 /nfs/dbraw/zinc/21/83/82/570218382.db2.gz XGZNKXIXCUIGLG-UHFFFAOYSA-N 0 0 382.463 5.149 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000004305109 570218545 /nfs/dbraw/zinc/21/85/45/570218545.db2.gz VEKJLYVUSWSVKQ-JOCHJYFZSA-N 0 0 388.511 5.111 50 0 GKAARN Cc1ccccc1C(=O)Nc1cc(Cl)ccc1OC(=O)c1ccccc1C ZINC000000704481 570218882 /nfs/dbraw/zinc/21/88/82/570218882.db2.gz XOXZAKMNXQCCAN-UHFFFAOYSA-N 0 0 379.843 5.428 50 0 GKAARN CCOc1cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c2cc1CC ZINC000000706789 570218999 /nfs/dbraw/zinc/21/89/99/570218999.db2.gz SNFWGULLAKQAGD-UHFFFAOYSA-N 0 0 378.346 5.565 50 0 biogenic GKAARN CCOC(=O)c1c(C)n(CCOc2cccc3ccccc32)c2ccc(O)cc21 ZINC000000707181 570219018 /nfs/dbraw/zinc/21/90/18/570219018.db2.gz CFNOOUNVIXAQCB-UHFFFAOYSA-N 0 0 389.451 5.064 50 0 GKAARN O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000000710155 570219319 /nfs/dbraw/zinc/21/93/19/570219319.db2.gz HUCVGGPQJRDJGY-SFHVURJKSA-N 0 0 395.256 5.034 50 0 GKAARN CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccc(Cl)cc3)o2)c1C ZINC000000709768 570219408 /nfs/dbraw/zinc/21/94/08/570219408.db2.gz HICQCZWPSHRDJE-UHFFFAOYSA-N 0 0 386.904 5.810 50 0 GKAARN CC(=O)Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000000713581 570219724 /nfs/dbraw/zinc/21/97/24/570219724.db2.gz XDWKNTZVNDNTEZ-DHIUTWEWSA-N 0 0 382.507 5.523 50 0 GKAARN Fc1ccc([C@@H]2CCc3nnc(Cc4ccccc4)n3-c3cc(F)ccc32)cc1 ZINC000000717523 570220031 /nfs/dbraw/zinc/22/00/31/570220031.db2.gz SKMSJYQFUZGGJN-FQEVSTJZSA-N 0 0 387.433 5.214 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000000722598 570220378 /nfs/dbraw/zinc/22/03/78/570220378.db2.gz NKAWPJCCACBMGN-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CC[C@@H](C)C2 ZINC000000722322 570220419 /nfs/dbraw/zinc/22/04/19/570220419.db2.gz YBNAPKWABANKJM-CQSZACIVSA-N 0 0 392.524 5.627 50 0 GKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000000722930 570220478 /nfs/dbraw/zinc/22/04/78/570220478.db2.gz NATSALATMWNWDZ-UHFFFAOYSA-N 0 0 377.831 5.033 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1OC ZINC000000724605 570220866 /nfs/dbraw/zinc/22/08/66/570220866.db2.gz HQNDOGMBQALQFV-UHFFFAOYSA-N 0 0 383.831 5.402 50 0 GKAARN Cc1oc(-c2ccccc2C)cc1-c1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000019811699 570221112 /nfs/dbraw/zinc/22/11/12/570221112.db2.gz PRENEHHTOQMESS-UHFFFAOYSA-N 0 0 386.480 5.705 50 0 GKAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1ccccc1Cl)CCC2 ZINC000000727187 570221255 /nfs/dbraw/zinc/22/12/55/570221255.db2.gz QCDQPKRXJYETCV-UHFFFAOYSA-N 0 0 396.899 5.395 50 0 GKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 ZINC000000727183 570221365 /nfs/dbraw/zinc/22/13/65/570221365.db2.gz ZPQXROZNXXEVJR-UHFFFAOYSA-N 0 0 390.574 5.203 50 0 GKAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1cccc(Cl)c1)CCC2 ZINC000000727450 570221369 /nfs/dbraw/zinc/22/13/69/570221369.db2.gz FELDEZIQFGQNOQ-UHFFFAOYSA-N 0 0 396.899 5.395 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000048234596 570221400 /nfs/dbraw/zinc/22/14/00/570221400.db2.gz BOIKCEKNEFCPPK-SECBINFHSA-N 0 0 394.780 5.212 50 0 GKAARN CCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1OCC ZINC000012807024 570221521 /nfs/dbraw/zinc/22/15/21/570221521.db2.gz RWHNODPAWKTNRJ-OAHLLOKOSA-N 0 0 392.499 5.342 50 0 GKAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)c(C)c1 ZINC000000753110 570222006 /nfs/dbraw/zinc/22/20/06/570222006.db2.gz JRSQEYUNGBYEOR-UHFFFAOYSA-N 0 0 386.495 5.161 50 0 GKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)c1ccccc21 ZINC000000752143 570222124 /nfs/dbraw/zinc/22/21/24/570222124.db2.gz JUTHRYZKAIMDPT-UHFFFAOYSA-N 0 0 393.464 5.206 50 0 GKAARN Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccs2)cc1 ZINC000019824763 570222987 /nfs/dbraw/zinc/22/29/87/570222987.db2.gz ZJGPAZIADSQGFI-UHFFFAOYSA-N 0 0 377.538 5.905 50 0 GKAARN O=C1c2ccccc2S/C1=C/c1ccc(N(CCCl)CCCl)cc1 ZINC000005127481 570223401 /nfs/dbraw/zinc/22/34/01/570223401.db2.gz LJFKDCBNOQEPNP-QGOAFFKASA-N 0 0 378.324 5.300 50 0 GKAARN FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccccn2)cc1 ZINC000019835156 570223829 /nfs/dbraw/zinc/22/38/29/570223829.db2.gz ANSDVXNZZFSGFO-LJQANCHMSA-N 0 0 390.430 5.189 50 0 GKAARN Fc1ccc([C@H](Nc2ccc(F)cc2Cl)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733644 570224242 /nfs/dbraw/zinc/22/42/42/570224242.db2.gz XJMURRFZBMPWJF-IBGZPJMESA-N 0 0 397.812 5.870 50 0 GKAARN C[C@H](N[C@@H](C)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048261106 570224402 /nfs/dbraw/zinc/22/44/02/570224402.db2.gz XJRNEXXOMFLGLA-QWRGUYRKSA-N 0 0 388.792 5.176 50 0 GKAARN C[C@@H](N[C@@H](C)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048261110 570224451 /nfs/dbraw/zinc/22/44/51/570224451.db2.gz XJRNEXXOMFLGLA-WDEREUQCSA-N 0 0 388.792 5.176 50 0 GKAARN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000048261108 570224523 /nfs/dbraw/zinc/22/45/23/570224523.db2.gz XJRNEXXOMFLGLA-MNOVXSKESA-N 0 0 388.792 5.176 50 0 GKAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C ZINC000001448829 570225418 /nfs/dbraw/zinc/22/54/18/570225418.db2.gz WVKIMDKEZLQJJN-NRFANRHFSA-N 0 0 394.540 5.704 50 0 GKAARN O=C(C[C@H](Sc1cccc2cccnc21)c1ccc(F)cc1)c1cccs1 ZINC000001448940 570225423 /nfs/dbraw/zinc/22/54/23/570225423.db2.gz FCGLKHDBGRNEQQ-NRFANRHFSA-N 0 0 393.508 6.542 50 0 GKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000000830094 570225506 /nfs/dbraw/zinc/22/55/06/570225506.db2.gz SCTBHBFDCHAQBR-UHFFFAOYSA-N 0 0 379.419 5.604 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1 ZINC000000840451 570226041 /nfs/dbraw/zinc/22/60/41/570226041.db2.gz AMPPDNFRTPAVMC-SECBINFHSA-N 0 0 389.076 5.162 50 0 GKAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000000843666 570226092 /nfs/dbraw/zinc/22/60/92/570226092.db2.gz ORBIZBBERXGBCV-UHFFFAOYSA-N 0 0 399.672 5.584 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(F)c(F)c2)S1 ZINC000085412463 570226270 /nfs/dbraw/zinc/22/62/70/570226270.db2.gz FJQHHWGXXZIUPO-QGZVFWFLSA-N 0 0 377.460 5.236 50 0 GKAARN Cc1ccc(C(=O)Nc2ncc(Cc3ccc(SC(F)F)cc3)s2)cc1 ZINC000001453220 570226695 /nfs/dbraw/zinc/22/66/95/570226695.db2.gz MLXIDVMBHDPBJY-UHFFFAOYSA-N 0 0 390.480 5.609 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(C)=O)c1-c1ccccc1 ZINC000000855394 570226802 /nfs/dbraw/zinc/22/68/02/570226802.db2.gz XRKXBOVEHVOALI-UHFFFAOYSA-N 0 0 393.464 5.047 50 0 GKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cccs2)c2ccccc21 ZINC000000851506 570226807 /nfs/dbraw/zinc/22/68/07/570226807.db2.gz VWCPHYQVKIBCQL-HRAATJIYSA-N 0 0 390.508 5.281 50 0 GKAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)N[C@@H]1CCSc2ccc(F)cc21 ZINC000048252147 570226829 /nfs/dbraw/zinc/22/68/29/570226829.db2.gz FQOPHTBKZLXIQO-HZPDHXFCSA-N 0 0 392.496 5.038 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1sc2ccccc2c1Cl ZINC000000853523 570226847 /nfs/dbraw/zinc/22/68/47/570226847.db2.gz CSEOZIDTXLWGCB-UHFFFAOYSA-N 0 0 379.868 6.599 50 0 GKAARN CC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000000856822 570227179 /nfs/dbraw/zinc/22/71/79/570227179.db2.gz KLYJIWGORYQXPF-ZEQRLZLVSA-N 0 0 379.544 5.414 50 0 GKAARN CCC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000000856832 570227192 /nfs/dbraw/zinc/22/71/92/570227192.db2.gz PTLGSTJFEDOYDA-ZEQRLZLVSA-N 0 0 393.571 5.804 50 0 GKAARN O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2Sc2ccccc21 ZINC000000856945 570227206 /nfs/dbraw/zinc/22/72/06/570227206.db2.gz NSKJWVGJAAZWIS-UHFFFAOYSA-N 0 0 389.505 5.485 50 0 GKAARN COc1cc(-c2nnc3ccc4ccccc4n32)ccc1OCc1ccccc1 ZINC000000858530 570227259 /nfs/dbraw/zinc/22/72/59/570227259.db2.gz CLINBAWCGVARPV-UHFFFAOYSA-N 0 0 381.435 5.137 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000000856835 570227337 /nfs/dbraw/zinc/22/73/37/570227337.db2.gz PTLGSTJFEDOYDA-DNQXCXABSA-N 0 0 393.571 5.804 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c2cccc(Cl)c2n1 ZINC000001459706 570227376 /nfs/dbraw/zinc/22/73/76/570227376.db2.gz QWNIDHMMCRKRHK-HOTGVXAUSA-N 0 0 392.930 5.982 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)N2CCC[C@@H](C)C2)c2cccc(Cl)c2n1 ZINC000001459710 570227424 /nfs/dbraw/zinc/22/74/24/570227424.db2.gz QDEUDBCDQJCGEE-OAHLLOKOSA-N 0 0 378.903 5.736 50 0 GKAARN Cc1ccc(/C=C2/C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000035074932 570228208 /nfs/dbraw/zinc/22/82/08/570228208.db2.gz YMSNYXZYNBOINX-APGGKZJFSA-N 0 0 390.567 5.881 50 0 GKAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@@H](NC(=O)c1c(C)cccc1Cl)C3 ZINC000023306625 570229210 /nfs/dbraw/zinc/22/92/10/570229210.db2.gz JLFQZLWPSPJWNM-CQSZACIVSA-N 0 0 387.310 5.379 50 0 GKAARN CCOc1ccc2cc(C(=O)N(Cc3ccc([C@H]4C[C@@H]4C)o3)C3CC3)[nH]c2c1 ZINC000048290611 570229198 /nfs/dbraw/zinc/22/91/98/570229198.db2.gz UZGLEOBLMCVDNW-LIRRHRJNSA-N 0 0 378.472 5.088 50 0 GKAARN O=C(c1cccc(Cl)c1)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1 ZINC000023307435 570229227 /nfs/dbraw/zinc/22/92/27/570229227.db2.gz PEAJCESJTLGPCZ-UHFFFAOYSA-N 0 0 389.282 5.720 50 0 GKAARN COc1ccc2cc([C@@H]3SCC(=O)N3c3cc(Cl)ccc3OC)ccc2c1 ZINC000019927170 570230017 /nfs/dbraw/zinc/23/00/17/570230017.db2.gz AECFGCJKLHSZES-NRFANRHFSA-N 0 0 399.899 5.289 50 0 GKAARN CC(C)c1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000048275979 570230093 /nfs/dbraw/zinc/23/00/93/570230093.db2.gz AZMAJVLSTVMEHL-SFQUDFHCSA-N 0 0 383.904 5.651 50 0 GKAARN COc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000048276331 570230135 /nfs/dbraw/zinc/23/01/35/570230135.db2.gz VSJGPSYEGYKVHV-LJQANCHMSA-N 0 0 398.890 5.349 50 0 GKAARN O=C1CS[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1F ZINC000019927167 570230147 /nfs/dbraw/zinc/23/01/47/570230147.db2.gz LFCCSGLCLWBJMK-QFIPXVFZSA-N 0 0 397.446 5.322 50 0 GKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC[C@H]1c1ccsc1 ZINC000048276910 570230251 /nfs/dbraw/zinc/23/02/51/570230251.db2.gz 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570231776 /nfs/dbraw/zinc/23/17/76/570231776.db2.gz MMDBCHMWPWHEAQ-UHFFFAOYSA-N 0 0 394.430 5.812 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1cccs1 ZINC000001465600 570231839 /nfs/dbraw/zinc/23/18/39/570231839.db2.gz WQOVEEWLTDVERM-ZHACJKMWSA-N 0 0 397.521 5.614 50 0 GKAARN O=C1C[C@@H](c2ccc(F)cc2)Sc2nc(-c3cccc4ccccc43)nn21 ZINC000000957023 570232052 /nfs/dbraw/zinc/23/20/52/570232052.db2.gz GVYPOMJEQSDSDF-SFHVURJKSA-N 0 0 375.428 5.115 50 0 GKAARN O=C(c1ccccc1)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000000969880 570232252 /nfs/dbraw/zinc/23/22/52/570232252.db2.gz PBPZWQVXKILORB-LAUBAEHRSA-N 0 0 394.883 5.154 50 0 GKAARN Fc1cc(F)c([C@H]2SCCN2C(=S)Nc2ccc(Cl)cc2)c(F)c1 ZINC000000969307 570232301 /nfs/dbraw/zinc/23/23/01/570232301.db2.gz ZDXSACGKUQWPIC-OAHLLOKOSA-N 0 0 388.867 5.202 50 0 GKAARN C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2ccccc2)C1 ZINC000000970527 570232326 /nfs/dbraw/zinc/23/23/26/570232326.db2.gz AUULJQQRPDHBAN-ZDUSSCGKSA-N 0 0 396.537 5.439 50 0 GKAARN Cc1ccc(Cl)cc1O[P@](C)(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000000974932 570232571 /nfs/dbraw/zinc/23/25/71/570232571.db2.gz LPGHZQPAFZNDDA-QHCPKHFHSA-N 0 0 395.770 6.574 50 0 GKAARN O=C(COC(=O)c1ccccc1-c1ccccc1)c1ccc(Br)cc1 ZINC000000975627 570232573 /nfs/dbraw/zinc/23/25/73/570232573.db2.gz GIYRGGCYORYZNU-UHFFFAOYSA-N 0 0 395.252 5.156 50 0 GKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1Cl ZINC000048309838 570232800 /nfs/dbraw/zinc/23/28/00/570232800.db2.gz KITUXWJENNYSFL-UHFFFAOYSA-N 0 0 398.818 5.527 50 0 GKAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc2nccnc2c1 ZINC000012819778 570232858 /nfs/dbraw/zinc/23/28/58/570232858.db2.gz FLSTVBHKMMHVPR-UHFFFAOYSA-N 0 0 398.447 5.284 50 0 GKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC[C@@H]1c1nccs1 ZINC000019953332 570233159 /nfs/dbraw/zinc/23/31/59/570233159.db2.gz MWFNCJIWRAHJSF-MRXNPFEDSA-N 0 0 393.434 5.462 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2cccs2)nc2ccccc21 ZINC000000991700 570233532 /nfs/dbraw/zinc/23/35/32/570233532.db2.gz 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570234049 /nfs/dbraw/zinc/23/40/49/570234049.db2.gz FBFLKAQPENBKJE-MRXNPFEDSA-N 0 0 393.870 5.551 50 0 GKAARN COc1cccc(-c2cc(C(=O)Nc3ncccc3Cl)c3ccccc3n2)c1 ZINC000000994634 570234053 /nfs/dbraw/zinc/23/40/53/570234053.db2.gz CRJYHKDIJRMBFT-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN Clc1ccc(-c2nc(CSCc3coc(-c4ccccc4)n3)co2)cc1 ZINC000048300232 570234143 /nfs/dbraw/zinc/23/41/43/570234143.db2.gz VNZGTAFKIGOOOL-UHFFFAOYSA-N 0 0 382.872 6.083 50 0 GKAARN O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000000995757 570234326 /nfs/dbraw/zinc/23/43/26/570234326.db2.gz QAFQXUALXBQVRY-UHFFFAOYSA-N 0 0 394.261 5.856 50 0 GKAARN COc1ccc(-c2cc(NC(=O)CCC(C)C)n(-c3ccc(C)cc3)n2)cc1 ZINC000023308827 570234412 /nfs/dbraw/zinc/23/44/12/570234412.db2.gz ANNYUTWIGKAWQJ-UHFFFAOYSA-N 0 0 377.488 5.231 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(NC(=O)Cc3cccc4ccccc43)c2)c1 ZINC000001006517 570234718 /nfs/dbraw/zinc/23/47/18/570234718.db2.gz PFEJKLDIDYABED-UHFFFAOYSA-N 0 0 394.474 5.582 50 0 GKAARN Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2NC(=O)/C=C/c2ccc(C)o2)o1 ZINC000000998795 570234761 /nfs/dbraw/zinc/23/47/61/570234761.db2.gz QZIPVHNBWTZIIH-JOWSBRCASA-N 0 0 390.439 5.102 50 0 GKAARN CC(C)[C@H](NC(=O)CSc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000048302475 570234897 /nfs/dbraw/zinc/23/48/97/570234897.db2.gz NXWXFCVAYUIXOY-FQEVSTJZSA-N 0 0 384.476 5.086 50 0 GKAARN CC(C)[C@@H](NC(=O)CSc1ncc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000048302476 570234945 /nfs/dbraw/zinc/23/49/45/570234945.db2.gz NXWXFCVAYUIXOY-HXUWFJFHSA-N 0 0 384.476 5.086 50 0 GKAARN Cc1nc(C(=O)NCCc2ccc(Cl)cc2Cl)cc2c3ccccc3[nH]c21 ZINC000006075836 570234991 /nfs/dbraw/zinc/23/49/91/570234991.db2.gz QFRZTJJTGBBVSB-UHFFFAOYSA-N 0 0 398.293 5.304 50 0 biogenic GKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000020019512 570235110 /nfs/dbraw/zinc/23/51/10/570235110.db2.gz BUCWZYBKPWMBNW-NRFANRHFSA-N 0 0 399.450 5.200 50 0 GKAARN O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1 ZINC000001009405 570235237 /nfs/dbraw/zinc/23/52/37/570235237.db2.gz BDEDTAFRAQLAGJ-UHFFFAOYSA-N 0 0 393.490 5.590 50 0 GKAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1Cl ZINC000048314717 570235301 /nfs/dbraw/zinc/23/53/01/570235301.db2.gz BREIZFMOWKLFEB-UHFFFAOYSA-N 0 0 397.283 5.588 50 0 GKAARN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000001015329 570235325 /nfs/dbraw/zinc/23/53/25/570235325.db2.gz PPCBDORTDJJLHH-LAYGUCBPSA-N 0 0 389.498 6.322 50 0 GKAARN FC(F)(F)c1cnc(SCc2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000006078744 570235372 /nfs/dbraw/zinc/23/53/72/570235372.db2.gz YTWICNLAOSXOJK-UHFFFAOYSA-N 0 0 386.851 6.170 50 0 GKAARN COc1cc(SC)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001022506 570235481 /nfs/dbraw/zinc/23/54/81/570235481.db2.gz DQFXLXPFWCCROA-UHFFFAOYSA-N 0 0 375.799 5.342 50 0 GKAARN O=C(Nc1ccc(-c2cnco2)cc1)Nc1ccc(Cl)c(Cl)c1Cl ZINC000001024483 570235596 /nfs/dbraw/zinc/23/55/96/570235596.db2.gz IHLAVLFWNOLJDX-UHFFFAOYSA-N 0 0 382.634 5.946 50 0 GKAARN CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 ZINC000001033746 570236155 /nfs/dbraw/zinc/23/61/55/570236155.db2.gz XWTCIFXHXDNPGK-NSHDSACASA-N 0 0 392.908 5.347 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)NCCC(C)(C)C)c3ccccc3n2)cc1 ZINC000023309476 570236459 /nfs/dbraw/zinc/23/64/59/570236459.db2.gz GITJTXFRGACWGO-UHFFFAOYSA-N 0 0 376.500 5.467 50 0 GKAARN COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1 ZINC000001034331 570236609 /nfs/dbraw/zinc/23/66/09/570236609.db2.gz IRJBYMFVFODZTL-UHFFFAOYSA-N 0 0 386.476 5.793 50 0 in-vitro GKAARN Cc1nc(-c2ccc(-c3csc(-c4cnccc4C(F)(F)F)n3)cc2)no1 ZINC000001035815 570236780 /nfs/dbraw/zinc/23/67/80/570236780.db2.gz VDSNGTJZTKGHEI-UHFFFAOYSA-N 0 0 388.374 5.249 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccccc1 ZINC000001036191 570236877 /nfs/dbraw/zinc/23/68/77/570236877.db2.gz WYAHJBADNUVEJO-UHFFFAOYSA-N 0 0 382.510 5.401 50 0 GKAARN O=C(c1cccs1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1Cl ZINC000001035623 570236887 /nfs/dbraw/zinc/23/68/87/570236887.db2.gz AFCOYDHPOLXTTO-UTKZUKDTSA-N 0 0 392.911 5.565 50 0 GKAARN FC(F)(F)c1ccc(-c2noc(CN(Cc3ccco3)C3CCCC3)n2)cc1 ZINC000048313645 570236985 /nfs/dbraw/zinc/23/69/85/570236985.db2.gz OSJNZWPJGTVIKL-UHFFFAOYSA-N 0 0 391.393 5.293 50 0 GKAARN Fc1ccc(CSCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000023310230 570237044 /nfs/dbraw/zinc/23/70/44/570237044.db2.gz WAHUZJRSLZKXBE-UHFFFAOYSA-N 0 0 383.435 6.401 50 0 GKAARN COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000004817084 570237078 /nfs/dbraw/zinc/23/70/78/570237078.db2.gz GDSNDJRCFHBRFN-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN O=S(=O)(Cc1ccco1)Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000001037733 570237133 /nfs/dbraw/zinc/23/71/33/570237133.db2.gz IKLNVIPFUUZEEH-UHFFFAOYSA-N 0 0 395.505 5.185 50 0 GKAARN Cc1cc(C(F)(F)F)nc2c(Br)c(-c3ccc(Cl)cc3)nn21 ZINC000001037650 570237236 /nfs/dbraw/zinc/23/72/36/570237236.db2.gz WLIHXBAJQPUYMV-UHFFFAOYSA-N 0 0 390.590 5.139 50 0 GKAARN Cc1cccc(Cl)c1NC(=S)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001041736 570237555 /nfs/dbraw/zinc/23/75/55/570237555.db2.gz LHTLPGOZLLOCIS-FQEVSTJZSA-N 0 0 380.944 5.919 50 0 in-vitro GKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000001042251 570237598 /nfs/dbraw/zinc/23/75/98/570237598.db2.gz FNDHPZPBJZDMKO-CYBMUJFWSA-N 0 0 376.294 5.153 50 0 GKAARN CCCC[C@@H](CC)C(=O)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 ZINC000023312829 570237671 /nfs/dbraw/zinc/23/76/71/570237671.db2.gz AQCXBUJJSHSOQT-GOSISDBHSA-N 0 0 390.502 6.710 50 0 GKAARN O=C(OC1CCCCC1)c1ccc(COc2ccccc2Br)o1 ZINC000020058064 570238046 /nfs/dbraw/zinc/23/80/46/570238046.db2.gz JLFBZGXXNYNDQH-UHFFFAOYSA-N 0 0 379.250 5.111 50 0 GKAARN COc1ccc([C@H](CC(=O)c2ccccc2)Sc2ccccc2N)cc1OC ZINC000001045072 570238297 /nfs/dbraw/zinc/23/82/97/570238297.db2.gz GIXOKGXKOBYCOY-QHCPKHFHSA-N 0 0 393.508 5.392 50 0 GKAARN Cc1oc(-c2ccc(Cl)cc2)cc1COC(=O)Nc1ccc(Cl)cc1 ZINC000001046761 570238359 /nfs/dbraw/zinc/23/83/59/570238359.db2.gz SPANJVYNXKVGFF-UHFFFAOYSA-N 0 0 376.239 6.311 50 0 GKAARN CCOc1ccccc1NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 ZINC000032940745 570238855 /nfs/dbraw/zinc/23/88/55/570238855.db2.gz OCTYFIPDNMJRLT-UHFFFAOYSA-N 0 0 395.890 5.056 50 0 GKAARN O=C(CSCc1ccc(F)c2ccccc12)Nc1ccc2ccccc2c1 ZINC000001065080 570239803 /nfs/dbraw/zinc/23/98/03/570239803.db2.gz DLUIYUBFDBBUBH-UHFFFAOYSA-N 0 0 375.468 6.004 50 0 GKAARN CCCCCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@@H](C)CCC ZINC000048343149 570239985 /nfs/dbraw/zinc/23/99/85/570239985.db2.gz SHKDDBKEZKZTDU-HNNXBMFYSA-N 0 0 392.544 5.110 50 0 GKAARN CCCCCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@H](C)CCC ZINC000048343151 570240014 /nfs/dbraw/zinc/24/00/14/570240014.db2.gz SHKDDBKEZKZTDU-OAHLLOKOSA-N 0 0 392.544 5.110 50 0 GKAARN Cc1ccc(C)c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000023316068 570240002 /nfs/dbraw/zinc/24/00/02/570240002.db2.gz ALPSXCZJUWMKJR-UHFFFAOYSA-N 0 0 379.472 6.738 50 0 GKAARN Cc1cc(C)cc(Oc2ncnc3c2ncn3Cc2c(Cl)cccc2Cl)c1 ZINC000001068095 570240169 /nfs/dbraw/zinc/24/01/69/570240169.db2.gz UHMUETSGGIRGON-UHFFFAOYSA-N 0 0 399.281 5.591 50 0 GKAARN Cc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000001069394 570240266 /nfs/dbraw/zinc/24/02/66/570240266.db2.gz SECUFNWDCKMYIF-HSZRJFAPSA-N 0 0 394.478 5.272 50 0 GKAARN COc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000023316281 570240537 /nfs/dbraw/zinc/24/05/37/570240537.db2.gz UIPVTPGLKBSZIT-UHFFFAOYSA-N 0 0 376.456 5.100 50 0 GKAARN CC(C)(C)c1ccc(OCCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006086287 570240830 /nfs/dbraw/zinc/24/08/30/570240830.db2.gz DYMOWKPYWOTSKY-UHFFFAOYSA-N 0 0 383.576 5.476 50 0 GKAARN COc1ccc(-c2cc3ccc(OCc4ccc(F)cc4F)cc3oc2=O)cc1 ZINC000001078877 570241034 /nfs/dbraw/zinc/24/10/34/570241034.db2.gz FMQGYKWHXYLSHH-UHFFFAOYSA-N 0 0 394.373 5.326 50 0 GKAARN COc1ccc([C@H](NCc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000020133013 570241512 /nfs/dbraw/zinc/24/15/12/570241512.db2.gz NVAZWNPSBBFNAO-OAQYLSRUSA-N 0 0 391.448 5.527 50 0 GKAARN COc1ccc(-c2c(C)c3cc(Cl)cc(Br)c3oc2=O)cc1 ZINC000001080964 570241639 /nfs/dbraw/zinc/24/16/39/570241639.db2.gz TZSLCGOSZMFHIK-UHFFFAOYSA-N 0 0 379.637 5.193 50 0 GKAARN Fc1cc(Br)ccc1OCc1csc(COc2ccccc2)n1 ZINC000048354399 570241731 /nfs/dbraw/zinc/24/17/31/570241731.db2.gz YXQMYYVMDMKNRO-UHFFFAOYSA-N 0 0 394.265 5.203 50 0 GKAARN COc1ccc(-c2c(C)nn3c2nc(-c2cccs2)cc3C(F)(F)F)cc1 ZINC000001105587 570241846 /nfs/dbraw/zinc/24/18/46/570241846.db2.gz OSAFMUOPRWFVAK-UHFFFAOYSA-N 0 0 389.402 5.461 50 0 GKAARN O=S(=O)(Nc1ccc(F)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001100352 570241910 /nfs/dbraw/zinc/24/19/10/570241910.db2.gz ZPMFVZCEPMLCBX-UHFFFAOYSA-N 0 0 377.824 5.072 50 0 GKAARN O=C(COc1ccc(Cl)cc1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023318002 570241868 /nfs/dbraw/zinc/24/18/68/570241868.db2.gz WVJIUKLTVIBLOZ-HSZRJFAPSA-N 0 0 395.861 5.032 50 0 GKAARN CCCCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(OC)cc1 ZINC000023317953 570241898 /nfs/dbraw/zinc/24/18/98/570241898.db2.gz UKLOHFIOMBUFTA-UHFFFAOYSA-N 0 0 397.906 5.720 50 0 GKAARN FC(F)(F)c1ccc(-c2nc(CSc3ccccc3Cl)cs2)cc1 ZINC000023317453 570242059 /nfs/dbraw/zinc/24/20/59/570242059.db2.gz VJLKSQFROFQUJE-UHFFFAOYSA-N 0 0 385.863 6.775 50 0 GKAARN Cc1ccc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccccc2)cc1C ZINC000001109466 570242322 /nfs/dbraw/zinc/24/23/22/570242322.db2.gz ASYYIQYARYZTDM-UHFFFAOYSA-N 0 0 385.492 5.741 50 0 GKAARN CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 ZINC000048356431 570242655 /nfs/dbraw/zinc/24/26/55/570242655.db2.gz YKVYOLOBTRVTAJ-OAHLLOKOSA-N 0 0 379.460 5.300 50 0 GKAARN Cc1ccc(C(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccc(C)cc2)cc1 ZINC000006097283 570242857 /nfs/dbraw/zinc/24/28/57/570242857.db2.gz RXMMAWKKIIGMDT-JOCHJYFZSA-N 0 0 391.540 5.338 50 0 GKAARN CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000001118845 570243382 /nfs/dbraw/zinc/24/33/82/570243382.db2.gz MDBFJOAKAJBXHK-LLVKDONJSA-N 0 0 397.700 5.384 50 0 GKAARN O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Br)cc1 ZINC000001117359 570243457 /nfs/dbraw/zinc/24/34/57/570243457.db2.gz YCUGKECYRJZNEE-UHFFFAOYSA-N 0 0 398.285 5.078 50 0 GKAARN CC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000001123221 570243804 /nfs/dbraw/zinc/24/38/04/570243804.db2.gz CPXWRDFWVODCFF-UHFFFAOYSA-N 0 0 378.284 5.819 50 0 GKAARN CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000001122820 570243850 /nfs/dbraw/zinc/24/38/50/570243850.db2.gz XNLWGPMRZNKFTR-UHFFFAOYSA-N 0 0 393.668 5.467 50 0 GKAARN Cc1cccc(NC(=O)[C@@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000048361884 570244354 /nfs/dbraw/zinc/24/43/54/570244354.db2.gz SGESIIDTEYOSBQ-MRXNPFEDSA-N 0 0 397.490 6.123 50 0 GKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccc(C)cc2C)cc1 ZINC000085590972 570244709 /nfs/dbraw/zinc/24/47/09/570244709.db2.gz BJEQFWMYLYCWPT-UHFFFAOYSA-N 0 0 383.495 6.658 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OCC ZINC000001130225 570245148 /nfs/dbraw/zinc/24/51/48/570245148.db2.gz YIUJVJOGZOXEBB-UHFFFAOYSA-N 0 0 376.456 5.480 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1N1CCCCC1 ZINC000001129515 570245190 /nfs/dbraw/zinc/24/51/90/570245190.db2.gz PZNJOLZZOQUZLB-UHFFFAOYSA-N 0 0 379.287 5.001 50 0 GKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1F ZINC000004820261 570245678 /nfs/dbraw/zinc/24/56/78/570245678.db2.gz BLTDCPGWTPFZHS-LVWGJNHUSA-N 0 0 391.471 5.040 50 0 GKAARN O=C(CCc1ccccc1)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001131622 570245923 /nfs/dbraw/zinc/24/59/23/570245923.db2.gz UFLKUEZTVXMILB-UHFFFAOYSA-N 0 0 387.719 5.093 50 0 GKAARN O=C1C[C@@H](c2ccccc2Cl)Cc2c1cnn2-c1nc2ccccc2s1 ZINC000001132601 570246205 /nfs/dbraw/zinc/24/62/05/570246205.db2.gz XLBRLXMENWKZMQ-LBPRGKRZSA-N 0 0 379.872 5.048 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000001132927 570246298 /nfs/dbraw/zinc/24/62/98/570246298.db2.gz MJFKWLKTCURTCE-UHFFFAOYSA-N 0 0 377.440 5.529 50 0 GKAARN COc1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001135602 570246930 /nfs/dbraw/zinc/24/69/30/570246930.db2.gz ZMZFEUFXGUGCJK-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN CN(C)c1ccc(Oc2ccc3c(c2)CC[C@H]2[C@@H]4CCC(=O)[C@]4(C)CC[C@H]32)cc1 ZINC000013466824 570247184 /nfs/dbraw/zinc/24/71/84/570247184.db2.gz ULYOBMCBSNBRSQ-QJXQVQFTSA-N 0 0 389.539 5.970 50 0 GKAARN O=C(NCCc1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000006111574 570247263 /nfs/dbraw/zinc/24/72/63/570247263.db2.gz RLMOOPSDKXGXNC-UHFFFAOYSA-N 0 0 391.474 5.356 50 0 biogenic GKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(Cl)c1 ZINC000001138892 570247437 /nfs/dbraw/zinc/24/74/37/570247437.db2.gz BYGIMMPTPLQXOQ-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN O=C(OC/C=C\c1ccccc1)c1ccc(C(=O)OC/C=C\c2ccccc2)cc1 ZINC000006111219 570248166 /nfs/dbraw/zinc/24/81/66/570248166.db2.gz ULPRDQOQZRETHK-PVRNWPCDSA-N 0 0 398.458 5.427 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1Cl ZINC000001144363 570248235 /nfs/dbraw/zinc/24/82/35/570248235.db2.gz YKCLUAUBOKVUSG-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN CCC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000001145161 570248484 /nfs/dbraw/zinc/24/84/84/570248484.db2.gz STGCMBTYWKBNJI-UHFFFAOYSA-N 0 0 386.407 5.063 50 0 GKAARN Cc1ccc(-c2noc(COc3ccc(C(C)C)cc3Br)n2)cc1 ZINC000001145356 570248601 /nfs/dbraw/zinc/24/86/01/570248601.db2.gz PFXHAHGGNWFGQH-UHFFFAOYSA-N 0 0 387.277 5.510 50 0 GKAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl)c1ccco1 ZINC000001147361 570248769 /nfs/dbraw/zinc/24/87/69/570248769.db2.gz LERSFCBPIJVSHD-UHFFFAOYSA-N 0 0 375.211 5.091 50 0 GKAARN Cc1ccccc1C(=O)N(CCOc1ccccc1)c1ccc2ccccc2c1 ZINC000001152476 570249091 /nfs/dbraw/zinc/24/90/91/570249091.db2.gz NVJIBTJERPSKIA-UHFFFAOYSA-N 0 0 381.475 5.874 50 0 GKAARN Cc1cc(C)c(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1 ZINC000001153012 570249122 /nfs/dbraw/zinc/24/91/22/570249122.db2.gz AKYFWNAETYPNSR-UHFFFAOYSA-N 0 0 392.524 5.075 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1ccc(F)cc1 ZINC000001150413 570249200 /nfs/dbraw/zinc/24/92/00/570249200.db2.gz MYULPQDKQGYBDR-UHFFFAOYSA-N 0 0 393.245 5.068 50 0 GKAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc2ccccc2[nH]1 ZINC000001153467 570249448 /nfs/dbraw/zinc/24/94/48/570249448.db2.gz AHAISLUPQLNCPL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/25/01/82/570250182.db2.gz FQHFMVJYZNVEDX-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN COc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1Cl ZINC000001156469 570250289 /nfs/dbraw/zinc/25/02/89/570250289.db2.gz JJLAXLJWOMPXRZ-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 ZINC000001156694 570250212 /nfs/dbraw/zinc/25/02/12/570250212.db2.gz WXUGRXJJFDKOMX-UHFFFAOYSA-N 0 0 386.451 5.383 50 0 GKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000001156518 570250232 /nfs/dbraw/zinc/25/02/32/570250232.db2.gz CAJDUQSZRTZLOO-UHFFFAOYSA-N 0 0 376.294 5.207 50 0 GKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)cc4Cl)ccc3o2)cc1 ZINC000001156816 570250276 /nfs/dbraw/zinc/25/02/76/570250276.db2.gz WIJAYQPDUQHVHQ-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc1 ZINC000001156249 570250324 /nfs/dbraw/zinc/25/03/24/570250324.db2.gz VHFJFYHGJWNBKI-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2OC)cc1C 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O=C(c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)N1CCCCCCC1 ZINC000023318444 570262287 /nfs/dbraw/zinc/26/22/87/570262287.db2.gz MZNODQFRSVJXJG-UHFFFAOYSA-N 0 0 391.536 6.614 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1Cl ZINC000001413948 570262464 /nfs/dbraw/zinc/26/24/64/570262464.db2.gz ZIANZWZIRKPABA-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c(C)c1 ZINC000001413959 570262488 /nfs/dbraw/zinc/26/24/88/570262488.db2.gz IJJMUCCDDOVUGH-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN O=C(Cc1ccccc1)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000001428316 570262806 /nfs/dbraw/zinc/26/28/06/570262806.db2.gz KSFUBUFQXRQHBB-UHFFFAOYSA-N 0 0 394.268 5.127 50 0 GKAARN FC(F)(F)c1ccnc(SCc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000023321088 570262924 /nfs/dbraw/zinc/26/29/24/570262924.db2.gz DFEKCLPPTYZBNQ-UHFFFAOYSA-N 0 0 387.839 5.565 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073086 570263147 /nfs/dbraw/zinc/26/31/47/570263147.db2.gz 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ZINC000006125547 570264027 /nfs/dbraw/zinc/26/40/27/570264027.db2.gz UGLHMLTYQMKWBB-UHFFFAOYSA-N 0 0 380.491 6.333 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Br ZINC000001514138 570264069 /nfs/dbraw/zinc/26/40/69/570264069.db2.gz CNJXSRLKOQWEND-UHFFFAOYSA-N 0 0 378.575 5.374 50 0 GKAARN CCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(CC)cc3)s2)cc1 ZINC000001506892 570264295 /nfs/dbraw/zinc/26/42/95/570264295.db2.gz SDMNOSPWLCZUNM-UHFFFAOYSA-N 0 0 380.465 5.311 50 0 GKAARN CCc1ccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN23)cc1 ZINC000085988115 570264553 /nfs/dbraw/zinc/26/45/53/570264553.db2.gz YWTWTXXLMKCSKO-RBUKOAKNSA-N 0 0 375.299 5.066 50 0 GKAARN C[C@@H](CC(=O)Nc1cc(-c2onc3c2CCCC3)ccc1Cl)CC(C)(C)C ZINC000022628787 570264608 /nfs/dbraw/zinc/26/46/08/570264608.db2.gz RSMVPTPHXNDSMT-AWEZNQCLSA-N 0 0 388.939 6.275 50 0 GKAARN COc1ccc(NC(=O)c2c(C)c(C)sc2-n2c(C)ccc2C)c(OC)c1 ZINC000012845632 570265230 /nfs/dbraw/zinc/26/52/30/570265230.db2.gz BUAJIXBNOVVXEX-UHFFFAOYSA-N 0 0 384.501 5.042 50 0 GKAARN COc1ccc2cc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c(C)nc2c1 ZINC000012848894 570265536 /nfs/dbraw/zinc/26/55/36/570265536.db2.gz HETAGVZYZBVXLP-GFCCVEGCSA-N 0 0 388.389 5.062 50 0 GKAARN CCCCOc1ccc(NC(=O)N(Cc2cccs2)Cc2cccn2C)cc1 ZINC000049410321 570266080 /nfs/dbraw/zinc/26/60/80/570266080.db2.gz CKAOGHASNGEDHV-UHFFFAOYSA-N 0 0 397.544 5.500 50 0 GKAARN Cn1cccc1CN(Cc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000049410315 570266090 /nfs/dbraw/zinc/26/60/90/570266090.db2.gz YANXYRDOGCRFEO-UHFFFAOYSA-N 0 0 393.434 5.340 50 0 GKAARN Cn1cccc1CN(Cc1cccs1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000049410298 570266107 /nfs/dbraw/zinc/26/61/07/570266107.db2.gz ANHNMBWNYRKUNH-UHFFFAOYSA-N 0 0 381.545 5.618 50 0 GKAARN C[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000013988056 570267114 /nfs/dbraw/zinc/26/71/14/570267114.db2.gz AAXGHKYSAGRWIE-MNOVXSKESA-N 0 0 388.747 6.005 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@@H](N[C@H](C)c2cc3ccccc3o2)c2ccccc2)c1 ZINC000012859838 570267843 /nfs/dbraw/zinc/26/78/43/570267843.db2.gz NDELJZSXFOPTFI-CLOONOSVSA-N 0 0 398.506 6.080 50 0 GKAARN Cc1cc(OCCOC(=O)Nc2c(Cl)cccc2Cl)cc(C)c1Cl ZINC000001753766 570267950 /nfs/dbraw/zinc/26/79/50/570267950.db2.gz NMQUKUPZUJQNIR-UHFFFAOYSA-N 0 0 388.678 5.891 50 0 GKAARN Cc1cccc2sc(OC3CCN(C(=O)c4ccc(Cl)s4)CC3)nc21 ZINC000049431867 570268100 /nfs/dbraw/zinc/26/81/00/570268100.db2.gz CRSXDOQFVYRLJR-UHFFFAOYSA-N 0 0 392.933 5.003 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Oc2ccccc2)cc1 ZINC000001764020 570268198 /nfs/dbraw/zinc/26/81/98/570268198.db2.gz LNNNHAKBLLVFRX-UHFFFAOYSA-N 0 0 379.887 6.682 50 0 GKAARN CCCCCOC(=O)COc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000001769970 570268271 /nfs/dbraw/zinc/26/82/71/570268271.db2.gz XYBOGTWBBQVUIX-UHFFFAOYSA-N 0 0 396.439 5.006 50 0 biogenic GKAARN CCCCC(=O)Nc1sc(C)c(-c2ccc(OCC)cc2)c1C(=O)OC ZINC000001791004 570268370 /nfs/dbraw/zinc/26/83/70/570268370.db2.gz IRVMCVGWCXTREM-UHFFFAOYSA-N 0 0 375.490 5.038 50 0 GKAARN COc1ccc(OCCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001778198 570268469 /nfs/dbraw/zinc/26/84/69/570268469.db2.gz VRVINVGIFQGGON-UHFFFAOYSA-N 0 0 391.467 5.072 50 0 GKAARN CCCCOc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001799812 570268677 /nfs/dbraw/zinc/26/86/77/570268677.db2.gz ANJZZZUEQBQPJR-UHFFFAOYSA-N 0 0 380.440 5.109 50 0 GKAARN COc1ccc2ccccc2c1-c1nc2c(c(=S)[nH]1)Cc1cccc(C)c1O2 ZINC000015829536 570268693 /nfs/dbraw/zinc/26/86/93/570268693.db2.gz SDHLDJBGTUXNLZ-UHFFFAOYSA-N 0 0 386.476 5.599 50 0 GKAARN O=C1c2ccccc2CC[C@@H]1[C@H](Sc1ccccc1)c1ccc(Cl)cc1 ZINC000001799271 570268711 /nfs/dbraw/zinc/26/87/11/570268711.db2.gz JPMJZSGNHDDYPS-JTHBVZDNSA-N 0 0 378.924 6.619 50 0 GKAARN Cc1c(OCc2c(Cl)cccc2Cl)ccc2c3c(c(=O)oc12)CCCC3 ZINC000001797622 570268757 /nfs/dbraw/zinc/26/87/57/570268757.db2.gz QGRRMWGFNICRMD-UHFFFAOYSA-N 0 0 389.278 5.866 50 0 GKAARN Cc1ccc(C)c(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1 ZINC000001797476 570268772 /nfs/dbraw/zinc/26/87/72/570268772.db2.gz CXRPCUGMLCKEMN-UHFFFAOYSA-N 0 0 390.866 6.309 50 0 GKAARN Cc1c(Cl)cccc1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001807528 570268960 /nfs/dbraw/zinc/26/89/60/570268960.db2.gz IVMOGSLEURXTTG-UHFFFAOYSA-N 0 0 380.278 6.656 50 0 GKAARN CCOC(=O)CCn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000001808746 570269028 /nfs/dbraw/zinc/26/90/28/570269028.db2.gz LEJNGTVEIZVFCC-UHFFFAOYSA-N 0 0 383.491 6.237 50 0 GKAARN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000001807115 570269031 /nfs/dbraw/zinc/26/90/31/570269031.db2.gz YWVLVWXTHDEFEZ-UHFFFAOYSA-N 0 0 386.676 6.022 50 0 GKAARN COc1ccc(CSc2nnc(SCc3cc(C)ccc3C)s2)cc1 ZINC000001820124 570269037 /nfs/dbraw/zinc/26/90/37/570269037.db2.gz MQJZAUHSISYBOD-UHFFFAOYSA-N 0 0 388.583 5.748 50 0 GKAARN Cc1nn(C)c2c1[C@@H](c1cccc(OCc3cccc(C)c3)c1)SCC(=O)N2 ZINC000049547915 570269430 /nfs/dbraw/zinc/26/94/30/570269430.db2.gz JXXRDBGKGIYMQZ-OAQYLSRUSA-N 0 0 393.512 5.040 50 0 GKAARN CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001861796 570269652 /nfs/dbraw/zinc/26/96/52/570269652.db2.gz YNPYECFBCQNZNV-UHFFFAOYSA-N 0 0 381.255 5.212 50 0 GKAARN Cc1ccc(OP(=O)(Nc2ccc(Cl)cc2)Oc2ccc(C)cc2)cc1 ZINC000001850850 570269658 /nfs/dbraw/zinc/26/96/58/570269658.db2.gz XMQVHRGPDXTBJL-UHFFFAOYSA-N 0 0 387.803 6.635 50 0 GKAARN Cc1ccc(N[C@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000000825884 570270040 /nfs/dbraw/zinc/27/00/40/570270040.db2.gz CNRPYCWHASQUNN-OAHLLOKOSA-N 0 0 387.694 5.030 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000004542044 570270116 /nfs/dbraw/zinc/27/01/16/570270116.db2.gz BUCONBBEJLXSDD-UHFFFAOYSA-N 0 0 395.764 5.880 50 0 GKAARN Cc1c(OCc2ccc(C(C)(C)C)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893499 570270164 /nfs/dbraw/zinc/27/01/64/570270164.db2.gz BSHWMNNBQDVECJ-UHFFFAOYSA-N 0 0 398.502 6.645 50 0 GKAARN COc1ccc(NC(=O)c2sc3nc(C)cc(-c4ccccc4)c3c2N)cc1 ZINC000001918444 570270232 /nfs/dbraw/zinc/27/02/32/570270232.db2.gz WFLBPDJSCGUXEI-UHFFFAOYSA-N 0 0 389.480 5.115 50 0 GKAARN O=C(CCc1ccc(-c2ccccc2C(F)(F)F)o1)Nc1ccc(F)cc1 ZINC000004542884 570270482 /nfs/dbraw/zinc/27/04/82/570270482.db2.gz LBYVJUPAAJLOAI-UHFFFAOYSA-N 0 0 377.337 5.676 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccc(C(C)(C)C)cc12 ZINC000004542459 570270549 /nfs/dbraw/zinc/27/05/49/570270549.db2.gz BHEHPLBTUKLDMG-UHFFFAOYSA-N 0 0 383.875 5.298 50 0 GKAARN CC[C@@H](C)n1c2nc(-c3ccc(C)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603461 570270597 /nfs/dbraw/zinc/27/05/97/570270597.db2.gz PBCJDHLYCAZRTH-LLVKDONJSA-N 0 0 375.444 5.338 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cc1 ZINC000020603068 570270601 /nfs/dbraw/zinc/27/06/01/570270601.db2.gz OVTSMHBHXUAYKL-UHFFFAOYSA-N 0 0 377.438 5.955 50 0 GKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3cccs3)cc(C(F)F)c12 ZINC000020604120 570270605 /nfs/dbraw/zinc/27/06/05/570270605.db2.gz QPRYXDWOHNLTHS-UHFFFAOYSA-N 0 0 387.430 6.349 50 0 GKAARN CC[C@H](C)n1c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603569 570270630 /nfs/dbraw/zinc/27/06/30/570270630.db2.gz UDBAWHNMKIXBDY-LBPRGKRZSA-N 0 0 389.471 5.647 50 0 GKAARN CC[C@@H](C)n1c2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604017 570270653 /nfs/dbraw/zinc/27/06/53/570270653.db2.gz WMAFSFNVAMNKKQ-LLVKDONJSA-N 0 0 393.434 5.419 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001946416 570270651 /nfs/dbraw/zinc/27/06/51/570270651.db2.gz WKPVBXFYXFULRN-INIZCTEOSA-N 0 0 399.556 5.637 50 0 GKAARN S=C(Nc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccc1 ZINC000002167145 570270784 /nfs/dbraw/zinc/27/07/84/570270784.db2.gz NYXJXGLOVNXBBP-UHFFFAOYSA-N 0 0 387.335 6.069 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020605002 570270914 /nfs/dbraw/zinc/27/09/14/570270914.db2.gz BACHPFUCRWLRRR-UHFFFAOYSA-N 0 0 377.366 5.615 50 0 GKAARN Cc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1C ZINC000020604383 570270970 /nfs/dbraw/zinc/27/09/70/570270970.db2.gz PKWZGCGUIXYHAC-UHFFFAOYSA-N 0 0 385.364 5.862 50 0 GKAARN C[C@@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000049580932 570271088 /nfs/dbraw/zinc/27/10/88/570271088.db2.gz BKWDFMXIEJIXNL-OAHLLOKOSA-N 0 0 389.886 5.094 50 0 GKAARN Clc1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1 ZINC000071889740 570271131 /nfs/dbraw/zinc/27/11/31/570271131.db2.gz IFENUQQNMWVNCP-UHFFFAOYSA-N 0 0 391.858 5.035 50 0 GKAARN C[C@H]1CCCCN1C(=O)c1cc2c(s1)n(-c1ccccc1)nc2C(F)(F)F ZINC000020606871 570271212 /nfs/dbraw/zinc/27/12/12/570271212.db2.gz NEGLCUIUAGSGNP-LBPRGKRZSA-N 0 0 393.434 5.120 50 0 GKAARN CC(=O)O[C@H](C(=O)OC[C@]1(c2ccccc2)CCC(=C(C)C)C1)c1ccccc1 ZINC000043198740 570271398 /nfs/dbraw/zinc/27/13/98/570271398.db2.gz KYDWEXULNKMZFA-ZCYQVOJMSA-N 0 0 392.495 5.292 50 0 GKAARN CSCC[C@@H](NC(=O)c1occc1-c1ccccc1)c1nc2ccccc2[nH]1 ZINC000049590351 570271553 /nfs/dbraw/zinc/27/15/53/570271553.db2.gz QEEHUNCDELPHSD-LJQANCHMSA-N 0 0 391.496 5.047 50 0 GKAARN CSCCC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000022631682 570271685 /nfs/dbraw/zinc/27/16/85/570271685.db2.gz QMTSRKKXFHYMPI-UHFFFAOYSA-N 0 0 386.348 5.168 50 0 GKAARN O=c1oc2ccccc2c(-c2cnn(-c3ccccc3)c2)c1-c1ccc(Cl)cc1 ZINC000071785273 570271940 /nfs/dbraw/zinc/27/19/40/570271940.db2.gz LXNSETSORRLYLD-UHFFFAOYSA-N 0 0 398.849 5.966 50 0 GKAARN Cc1occc1-c1nnc(SC(c2ccc(F)cc2)c2ccc(F)cc2)o1 ZINC000049776055 570272273 /nfs/dbraw/zinc/27/22/73/570272273.db2.gz QKZMZGFAQFYEJT-UHFFFAOYSA-N 0 0 384.407 5.798 50 0 GKAARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000100425926 570272295 /nfs/dbraw/zinc/27/22/95/570272295.db2.gz SKINTVJMMWHYKK-JIPXPUAJSA-N 0 0 394.518 6.932 50 0 GKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)s1 ZINC000020615604 570272391 /nfs/dbraw/zinc/27/23/91/570272391.db2.gz ICTSNKZZFBCSQK-UHFFFAOYSA-N 0 0 391.393 5.924 50 0 GKAARN O=C1OC(c2ccccc2)=NC1=C1C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000002026761 570272410 /nfs/dbraw/zinc/27/24/10/570272410.db2.gz IXOAARSBGMKNQN-UHFFFAOYSA-N 0 0 391.426 5.357 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 ZINC000002053255 570272574 /nfs/dbraw/zinc/27/25/74/570272574.db2.gz PEYVARDNMZKLMD-UHFFFAOYSA-N 0 0 384.479 6.353 50 0 GKAARN CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)cc1 ZINC000002052136 570272608 /nfs/dbraw/zinc/27/26/08/570272608.db2.gz HUXUTNFKKLNWJE-UHFFFAOYSA-N 0 0 395.528 5.451 50 0 GKAARN CCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000002052176 570272666 /nfs/dbraw/zinc/27/26/66/570272666.db2.gz GLEHNHLFIZIRDP-UHFFFAOYSA-N 0 0 387.892 5.151 50 0 GKAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(Cl)c3Cl)sc21 ZINC000020616034 570272671 /nfs/dbraw/zinc/27/26/71/570272671.db2.gz FKQLGUVOXAIQIF-UHFFFAOYSA-N 0 0 394.205 5.213 50 0 GKAARN Cc1cccc2c1N(CC(=O)c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002065954 570273182 /nfs/dbraw/zinc/27/31/82/570273182.db2.gz IWDRDQPMJNZQOI-UHFFFAOYSA-N 0 0 397.590 6.453 50 0 GKAARN CCCC[C@@H](CC)CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022634734 570273204 /nfs/dbraw/zinc/27/32/04/570273204.db2.gz NNCFKTYQVILIDR-CQSZACIVSA-N 0 0 383.479 6.380 50 0 GKAARN Cc1ccc(S[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002066016 570273221 /nfs/dbraw/zinc/27/32/21/570273221.db2.gz XWUGRLAMZKMWSH-INIZCTEOSA-N 0 0 388.747 5.522 50 0 GKAARN Cc1nc2cc(NC(=S)Nc3ccc(Oc4ccccc4)cc3)ccc2o1 ZINC000020624095 570273240 /nfs/dbraw/zinc/27/32/40/570273240.db2.gz OVGKXUQLGVKWFS-UHFFFAOYSA-N 0 0 375.453 5.737 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1 ZINC000002078833 570273341 /nfs/dbraw/zinc/27/33/41/570273341.db2.gz VLJNHIYYEULSPM-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN Cc1ccc(C)c(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000002078705 570273394 /nfs/dbraw/zinc/27/33/94/570273394.db2.gz BRLIXSWAVMEEDG-UHFFFAOYSA-N 0 0 395.458 5.558 50 0 GKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(N(C)C3CCCCC3)nc3ccccc32)C1 ZINC000022635665 570273516 /nfs/dbraw/zinc/27/35/16/570273516.db2.gz DRXYTAUFOVOMIM-HDICACEKSA-N 0 0 379.548 5.122 50 0 GKAARN CC[C@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000002073510 570273528 /nfs/dbraw/zinc/27/35/28/570273528.db2.gz OPTCHDMIIWYBLK-IBGZPJMESA-N 0 0 392.886 5.725 50 0 GKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3cccc4ccccc43)c2c1 ZINC000002079368 570273617 /nfs/dbraw/zinc/27/36/17/570273617.db2.gz PPZXSOMSPODGBK-UHFFFAOYSA-N 0 0 389.454 6.583 50 0 GKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 ZINC000002081674 570273637 /nfs/dbraw/zinc/27/36/37/570273637.db2.gz BZEBBARMGQRQGR-UHFFFAOYSA-N 0 0 380.491 6.388 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc21 ZINC000002081506 570273693 /nfs/dbraw/zinc/27/36/93/570273693.db2.gz GQJCXPVWZRYJPB-UHFFFAOYSA-N 0 0 396.490 6.034 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(C)C)c3ccccc3n2)cc1C ZINC000002081492 570273711 /nfs/dbraw/zinc/27/37/11/570273711.db2.gz MZNHDXVBOYMJLI-UHFFFAOYSA-N 0 0 394.518 6.894 50 0 GKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3ccc(C)c(Cl)c3)sc1C(C)(C)N2 ZINC000002080872 570273762 /nfs/dbraw/zinc/27/37/62/570273762.db2.gz DSSHLRGKNANUPV-UHFFFAOYSA-N 0 0 386.973 6.866 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)Nc1cccc(Cl)c1)c1ccco1 ZINC000005106894 570273844 /nfs/dbraw/zinc/27/38/44/570273844.db2.gz WWEHOLRMLXYVNZ-UHFFFAOYSA-N 0 0 380.787 5.184 50 0 GKAARN CCCCCSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 ZINC000002083759 570273936 /nfs/dbraw/zinc/27/39/36/570273936.db2.gz FJZDPLOJPONEEH-QGZVFWFLSA-N 0 0 384.530 5.386 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1C ZINC000002081810 570273945 /nfs/dbraw/zinc/27/39/45/570273945.db2.gz JXZPQQWKXCPYDQ-LJQANCHMSA-N 0 0 380.491 6.010 50 0 GKAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1C ZINC000002081986 570273966 /nfs/dbraw/zinc/27/39/66/570273966.db2.gz DCIHDTAGYHMSAN-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002085412 570274012 /nfs/dbraw/zinc/27/40/12/570274012.db2.gz TZDWWSSMXQMHKK-ISBHARSQSA-N 0 0 397.540 5.338 50 0 GKAARN COc1ccccc1[C@H]1Nc2ccc(Br)cc2[C@H](c2ccccc2)O1 ZINC000002087683 570274284 /nfs/dbraw/zinc/27/42/84/570274284.db2.gz YAZKSGUZEOLXLP-SFTDATJTSA-N 0 0 396.284 5.688 50 0 GKAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002096732 570274574 /nfs/dbraw/zinc/27/45/74/570274574.db2.gz FPUOLHVGNVOHHI-DUXPYHPUSA-N 0 0 382.115 5.341 50 0 GKAARN CC(C)c1ccc(OCc2cccc(C(=O)Oc3ccccc3Cl)c2)cc1 ZINC000002105544 570274786 /nfs/dbraw/zinc/27/47/86/570274786.db2.gz AJDYTKLEZNEIJP-UHFFFAOYSA-N 0 0 380.871 6.262 50 0 GKAARN CCc1ccc([C@H](C)NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)cc1 ZINC000002107685 570274834 /nfs/dbraw/zinc/27/48/34/570274834.db2.gz ZFGOPFLYKVVUAO-IBGZPJMESA-N 0 0 394.518 6.264 50 0 GKAARN CCc1ccc([C@@H](C)NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000002105010 570274858 /nfs/dbraw/zinc/27/48/58/570274858.db2.gz FVJUVUIMXKCMPJ-JPYJTQIMSA-N 0 0 375.537 5.960 50 0 GKAARN CCc1ccc(OCc2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)cc2)cc1 ZINC000002107878 570274877 /nfs/dbraw/zinc/27/48/77/570274877.db2.gz OJKYQTFIDKPOPO-IBGZPJMESA-N 0 0 387.523 6.594 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)cc1 ZINC000002107796 570274883 /nfs/dbraw/zinc/27/48/83/570274883.db2.gz RSFKYRVEXVXXMT-IBGZPJMESA-N 0 0 399.534 6.520 50 0 GKAARN CC[C@@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21)c1ccccc1 ZINC000002105805 570274906 /nfs/dbraw/zinc/27/49/06/570274906.db2.gz DZZSTLOLZIGCBB-XMMPIXPASA-N 0 0 394.518 6.400 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(C)C)c3ccccc3n2)cc1 ZINC000002104969 570274907 /nfs/dbraw/zinc/27/49/07/570274907.db2.gz ISOWMEPOSNGJGX-UHFFFAOYSA-N 0 0 380.491 6.586 50 0 GKAARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCC1CCCC1 ZINC000002107955 570274913 /nfs/dbraw/zinc/27/49/13/570274913.db2.gz CBMBLMOHCKXOBX-UHFFFAOYSA-N 0 0 385.529 5.727 50 0 GKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000100706659 570274951 /nfs/dbraw/zinc/27/49/51/570274951.db2.gz GXWXUVHDWZHDTI-FPOVZHCZSA-N 0 0 396.277 5.631 50 0 GKAARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(c1ccccc1)=N2 ZINC000100717295 570274958 /nfs/dbraw/zinc/27/49/58/570274958.db2.gz UXAOVIYHPXGCHQ-MRXNPFEDSA-N 0 0 389.311 5.363 50 0 GKAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)C1c2ccccc2Oc2ccccc21 ZINC000002114986 570275274 /nfs/dbraw/zinc/27/52/74/570275274.db2.gz UHSUTENWXPNCTM-UHFFFAOYSA-N 0 0 391.295 5.258 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 ZINC000002109194 570275305 /nfs/dbraw/zinc/27/53/05/570275305.db2.gz LOXOLFRMPODQNA-KRWDZBQOSA-N 0 0 393.914 6.685 50 0 GKAARN O=C(/C=C/c1cccc2ccccc12)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002136977 570275409 /nfs/dbraw/zinc/27/54/09/570275409.db2.gz BFSMFULGMVFRRQ-ISLYRVAYSA-N 0 0 398.506 5.554 50 0 GKAARN COc1cc(C)c(CCC(=O)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C ZINC000002132819 570275556 /nfs/dbraw/zinc/27/55/56/570275556.db2.gz IHQNUJDSQLUCII-UHFFFAOYSA-N 0 0 382.544 6.383 50 0 biogenic GKAARN Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000002128457 570275580 /nfs/dbraw/zinc/27/55/80/570275580.db2.gz DZPZAGDUCJKPGF-UHFFFAOYSA-N 0 0 385.536 6.152 50 0 GKAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cc(Cl)ccc1Cl ZINC000020716117 570275612 /nfs/dbraw/zinc/27/56/12/570275612.db2.gz YTLYMEGNHBVENV-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN CCCOc1c(Br)cc(C(=O)Nc2ccccc2F)cc1OCC ZINC000002140795 570275808 /nfs/dbraw/zinc/27/58/08/570275808.db2.gz RCHNXPBXDJRXEY-UHFFFAOYSA-N 0 0 396.256 5.028 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000002138667 570275854 /nfs/dbraw/zinc/27/58/54/570275854.db2.gz CSEHROVTTXYLHC-UHFFFAOYSA-N 0 0 380.469 5.042 50 0 GKAARN CN(C)C(=S)[C@]1(c2ccccc2)SC(c2ccccc2)=C(N(C)C)S1 ZINC000002146549 570276061 /nfs/dbraw/zinc/27/60/61/570276061.db2.gz AUMABFMXKIWDPS-HXUWFJFHSA-N 0 0 386.611 5.096 50 0 GKAARN CCOC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1 ZINC000002144464 570276065 /nfs/dbraw/zinc/27/60/65/570276065.db2.gz DHCUVWJIFJLSPB-UHFFFAOYSA-N 0 0 395.673 5.676 50 0 GKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 ZINC000071890696 570276119 /nfs/dbraw/zinc/27/61/19/570276119.db2.gz DUYZKLGUXCLLCE-GFCCVEGCSA-N 0 0 394.406 5.210 50 0 GKAARN CCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1C ZINC000002145288 570276132 /nfs/dbraw/zinc/27/61/32/570276132.db2.gz IYTQDYLBRIYUHO-UHFFFAOYSA-N 0 0 395.528 5.423 50 0 GKAARN CCCc1c(C(=O)Sc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 ZINC000002153077 570276340 /nfs/dbraw/zinc/27/63/40/570276340.db2.gz NEXFSGHEAVWHDS-UHFFFAOYSA-N 0 0 391.323 6.064 50 0 GKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Sc1ccc(C)cc1 ZINC000002151954 570276342 /nfs/dbraw/zinc/27/63/42/570276342.db2.gz YPECPGMINVGWOS-UHFFFAOYSA-N 0 0 393.455 6.378 50 0 GKAARN CC(C)Cc1ccc2c(N)c(C(=O)c3ccc4c(c3)Cc3ccccc3-4)sc2n1 ZINC000002151614 570276378 /nfs/dbraw/zinc/27/63/78/570276378.db2.gz BDDMKCMTQQMDOH-UHFFFAOYSA-N 0 0 398.531 5.879 50 0 GKAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 ZINC000006140690 570276467 /nfs/dbraw/zinc/27/64/67/570276467.db2.gz DGNAREOWIOHXQM-UHFFFAOYSA-N 0 0 397.569 5.411 50 0 GKAARN CCc1cccc(CC)c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000002149392 570276454 /nfs/dbraw/zinc/27/64/54/570276454.db2.gz VHIUHRPJHVKQHU-UHFFFAOYSA-N 0 0 386.706 5.789 50 0 GKAARN O=C(Oc1ccc(Cl)cc1)c1cscc1Sc1ccc(Cl)cc1 ZINC000002157162 570276648 /nfs/dbraw/zinc/27/66/48/570276648.db2.gz SCJLYUFWVCIRIB-UHFFFAOYSA-N 0 0 381.305 6.425 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCOc1ccc(Cl)cc1Cl ZINC000002161822 570276670 /nfs/dbraw/zinc/27/66/70/570276670.db2.gz MZUWETXFKRIJLT-UHFFFAOYSA-N 0 0 395.069 5.928 50 0 GKAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](c5ccccc5)C4=O)cc3)sc2c1 ZINC000100758770 570276880 /nfs/dbraw/zinc/27/68/80/570276880.db2.gz NWRXTKUUEZGRLA-IBGZPJMESA-N 0 0 398.487 5.319 50 0 GKAARN CCCC(=O)N(c1nc(-c2ccc(C)cc2)c(CC)s1)c1ccc(C)cc1C ZINC000002170834 570276969 /nfs/dbraw/zinc/27/69/69/570276969.db2.gz LHHZBVVHEXAEIX-UHFFFAOYSA-N 0 0 392.568 6.763 50 0 GKAARN CCC(=O)Oc1ccc([C@H](CC)[C@@H](CC)c2ccc(OC(=O)CC)cc2)cc1 ZINC000002169517 570276972 /nfs/dbraw/zinc/27/69/72/570276972.db2.gz HZLYMVNJKHJFRO-VXKWHMMOSA-N 0 0 382.500 6.005 50 0 GKAARN CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 ZINC000143177369 570277067 /nfs/dbraw/zinc/27/70/67/570277067.db2.gz RUVJPNVFEJBXNA-UHFFFAOYSA-N 0 0 377.387 5.673 50 0 GKAARN CN(C)c1ccccc1[C@@H](c1ccc(Cl)cc1)[C@@]1(C)OC(=O)c2ccccc21 ZINC000002166134 570277027 /nfs/dbraw/zinc/27/70/27/570277027.db2.gz LBAQYUWVKQQMEZ-VWNXMTODSA-N 0 0 391.898 5.624 50 0 GKAARN Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)C1CCOCC1 ZINC000024648185 570277149 /nfs/dbraw/zinc/27/71/49/570277149.db2.gz YCXDOVYOAAZEBF-UHFFFAOYSA-N 0 0 394.298 5.768 50 0 GKAARN CCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000002175283 570277249 /nfs/dbraw/zinc/27/72/49/570277249.db2.gz DUUOJCFIYZVKED-QFIPXVFZSA-N 0 0 392.886 5.900 50 0 GKAARN CCOc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c2ccccc12 ZINC000002178864 570277350 /nfs/dbraw/zinc/27/73/50/570277350.db2.gz XRPJSJYQJSIWSQ-VWLOTQADSA-N 0 0 383.495 6.000 50 0 GKAARN CC(C)(C)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002182963 570277468 /nfs/dbraw/zinc/27/74/68/570277468.db2.gz JQXJBFDGJDJANM-UHFFFAOYSA-N 0 0 395.506 6.089 50 0 GKAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000002183248 570277472 /nfs/dbraw/zinc/27/74/72/570277472.db2.gz HTEBBXIOYBJAHX-ZDUSSCGKSA-N 0 0 388.269 6.542 50 0 GKAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000002183246 570277502 /nfs/dbraw/zinc/27/75/02/570277502.db2.gz KOWKHYHXISONPB-ZDUSSCGKSA-N 0 0 388.269 6.542 50 0 GKAARN Cc1ccccc1Cc1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn12 ZINC000002182915 570277540 /nfs/dbraw/zinc/27/75/40/570277540.db2.gz XTKXXQFFOXSCII-UHFFFAOYSA-N 0 0 382.492 5.419 50 0 GKAARN O=c1c2c3c(sc2nc(SCc2ccccc2)n1C1CCCCC1)CCC3 ZINC000002183137 570277547 /nfs/dbraw/zinc/27/75/47/570277547.db2.gz MYLSQUCMBUXWGW-UHFFFAOYSA-N 0 0 396.581 5.744 50 0 GKAARN Cc1ccc(-c2cc(NCCc3ccccc3)nc(SCC(C)C)n2)cc1 ZINC000015859168 570277579 /nfs/dbraw/zinc/27/75/79/570277579.db2.gz JZGSTRSGCQEOJG-UHFFFAOYSA-N 0 0 377.557 5.855 50 0 GKAARN CCc1ccccc1-n1cc2c(c(=O)n(-c3ccccc3)n2C)c1-c1ccccc1 ZINC000015858700 570277688 /nfs/dbraw/zinc/27/76/88/570277688.db2.gz HICAXRPYFSZBJE-UHFFFAOYSA-N 0 0 393.490 5.349 50 0 GKAARN CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002183453 570277761 /nfs/dbraw/zinc/27/77/61/570277761.db2.gz QHHBIEMYRBISCD-HNNXBMFYSA-N 0 0 398.597 5.379 50 0 GKAARN O=c1c(SCc2ccc(Cl)c(Cl)c2)c(Cl)cnn1-c1ccccc1 ZINC000002183687 570277773 /nfs/dbraw/zinc/27/77/73/570277773.db2.gz CDQYPBDGWDQIGK-UHFFFAOYSA-N 0 0 397.714 5.485 50 0 GKAARN O=C1c2cc(Cl)sc2C2(CCCCC2)C1(Br)Br ZINC000002184134 570277811 /nfs/dbraw/zinc/27/78/11/570277811.db2.gz OFEJYSWAULTFKU-UHFFFAOYSA-N 0 0 398.547 5.286 50 0 GKAARN Cc1ccc([C@H](NC(=O)Cc2c(Cl)cccc2Cl)c2cccs2)cc1 ZINC000006585491 570277968 /nfs/dbraw/zinc/27/79/68/570277968.db2.gz RCIXUYBUICOFIQ-FQEVSTJZSA-N 0 0 390.335 5.812 50 0 GKAARN CCCSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)Nc1ccccc1-2 ZINC000002187843 570278087 /nfs/dbraw/zinc/27/80/87/570278087.db2.gz CSZROCMTBLSHSA-QGZVFWFLSA-N 0 0 384.892 5.197 50 0 GKAARN CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000002188755 570278123 /nfs/dbraw/zinc/27/81/23/570278123.db2.gz NBEOLUPTLIJJCX-WAIKUNEKSA-N 0 0 390.914 6.625 50 0 GKAARN CSc1ccc(Cl)c(C(=O)NCCOc2cc(C)ccc2C(C)C)c1 ZINC000002186882 570278137 /nfs/dbraw/zinc/27/81/37/570278137.db2.gz PXIUEQMHXTWAKT-UHFFFAOYSA-N 0 0 377.937 5.303 50 0 GKAARN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000002189896 570278149 /nfs/dbraw/zinc/27/81/49/570278149.db2.gz MQHKONJLXJPWOJ-QFIPXVFZSA-N 0 0 376.431 5.386 50 0 GKAARN Cc1cc(C)c(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)c(C)c1 ZINC000002188129 570278175 /nfs/dbraw/zinc/27/81/75/570278175.db2.gz VNHXNXNMMHBSFU-CXTIUDGFSA-N 0 0 381.519 6.238 50 0 GKAARN Cc1ccc(Nc2nc(C(F)(F)F)c(-c3cccc(Cl)c3)s2)c(C)c1 ZINC000002188972 570278241 /nfs/dbraw/zinc/27/82/41/570278241.db2.gz LGTYHYKZBPZRRW-UHFFFAOYSA-N 0 0 382.838 6.843 50 0 GKAARN O=C(/C=C/c1ccccc1)Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1 ZINC000020739584 570278499 /nfs/dbraw/zinc/27/84/99/570278499.db2.gz BFPARSSMEDWAQG-RMKNXTFCSA-N 0 0 375.815 5.195 50 0 GKAARN Nc1c(C(=O)C2CC2)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12 ZINC000002207947 570278829 /nfs/dbraw/zinc/27/88/29/570278829.db2.gz DCMPMSSNQWLGAK-UHFFFAOYSA-N 0 0 388.467 5.944 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(Cl)c1 ZINC000006160773 570278858 /nfs/dbraw/zinc/27/88/58/570278858.db2.gz YFICKOIEKOFJJF-UHFFFAOYSA-N 0 0 380.300 5.217 50 0 GKAARN O=C1N2CCCN2[C@H](c2ccc(Cl)cc2Cl)N1c1cccc2ccccc21 ZINC000000637846 570278943 /nfs/dbraw/zinc/27/89/43/570278943.db2.gz IOLFPEXTSKUFOU-FQEVSTJZSA-N 0 0 398.293 5.708 50 0 GKAARN CCOC(=O)c1c2cc(OCC(=O)C(C)(C)C)ccc2oc1-c1ccccc1 ZINC000000637193 570278951 /nfs/dbraw/zinc/27/89/51/570278951.db2.gz CJENTUQSBKLOTI-UHFFFAOYSA-N 0 0 380.440 5.271 50 0 biogenic GKAARN O=C1N2CCCN2[C@@H](c2ccc(Cl)cc2Cl)N1c1cccc2ccccc21 ZINC000000637851 570279069 /nfs/dbraw/zinc/27/90/69/570279069.db2.gz IOLFPEXTSKUFOU-HXUWFJFHSA-N 0 0 398.293 5.708 50 0 GKAARN CC(C)(C)c1ccc(-c2cc3nc(-c4ccncc4)cc(C(F)(F)F)n3n2)cc1 ZINC000020759749 570279641 /nfs/dbraw/zinc/27/96/41/570279641.db2.gz MGSHSVUDBXTKBY-UHFFFAOYSA-N 0 0 396.416 5.775 50 0 GKAARN Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(-c5ccccc5)cc4)c21)CCC3 ZINC000002231337 570279756 /nfs/dbraw/zinc/27/97/56/570279756.db2.gz ULGBFOVMYOXYTA-UHFFFAOYSA-N 0 0 392.454 6.670 50 0 GKAARN COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Cl)cc3Cl)c2c1 ZINC000002231254 570279851 /nfs/dbraw/zinc/27/98/51/570279851.db2.gz LVUHVIBCKUTTQV-UHFFFAOYSA-N 0 0 394.327 5.012 50 0 GKAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 ZINC000100972174 570280032 /nfs/dbraw/zinc/28/00/32/570280032.db2.gz ULGPNVANIRSCBR-ZRZAMGCNSA-N 0 0 395.458 5.602 50 0 GKAARN CCOc1ccc(-c2nn3c(nnc3-c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000002233904 570280107 /nfs/dbraw/zinc/28/01/07/570280107.db2.gz SSQFUDJYTFTOGQ-UHFFFAOYSA-N 0 0 378.501 5.216 50 0 GKAARN COc1cccc(-n2sc3c(c2=S)-c2cc(C)ccc2N(C)C3(C)C)c1 ZINC000002239793 570280139 /nfs/dbraw/zinc/28/01/39/570280139.db2.gz IXGJFCOAHUDLHN-UHFFFAOYSA-N 0 0 382.554 5.937 50 0 GKAARN O=C(NCCC1=CCCCC1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865008 570280176 /nfs/dbraw/zinc/28/01/76/570280176.db2.gz FAZRCXYPPDWIIN-UHFFFAOYSA-N 0 0 380.875 5.769 50 0 GKAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cc(C)ccc4C)ccc3C(=O)O2)cc1 ZINC000012274526 570280205 /nfs/dbraw/zinc/28/02/05/570280205.db2.gz KGKBNYYDYHGHDJ-HSZRJFAPSA-N 0 0 385.463 5.318 50 0 GKAARN O=C(Nc1ccccc1F)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O ZINC000012274605 570280422 /nfs/dbraw/zinc/28/04/22/570280422.db2.gz JPSFXDMYEZMLEV-HXUWFJFHSA-N 0 0 395.817 5.186 50 0 GKAARN Cc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@H]2C)cc1 ZINC000002250464 570280466 /nfs/dbraw/zinc/28/04/66/570280466.db2.gz WJZMGOCXNWRIDY-YKSBVNFPSA-N 0 0 384.523 6.204 50 0 GKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3ccc(Cl)cc3)cc2o1 ZINC000002256960 570280508 /nfs/dbraw/zinc/28/05/08/570280508.db2.gz RZTZSIOMNYTRAV-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 GKAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000648219 570280589 /nfs/dbraw/zinc/28/05/89/570280589.db2.gz LPSGOGYCLJKDFW-UHFFFAOYSA-N 0 0 385.492 5.336 50 0 GKAARN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002270159 570280612 /nfs/dbraw/zinc/28/06/12/570280612.db2.gz SSRZNSQRRFDVPN-GFCCVEGCSA-N 0 0 393.314 6.326 50 0 GKAARN O=C1[C@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=O)N1c1cccc2ccccc21 ZINC000002269759 570280663 /nfs/dbraw/zinc/28/06/63/570280663.db2.gz TWNDHDRDQQNORO-QUCCMNQESA-N 0 0 394.883 5.076 50 0 GKAARN CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 ZINC000002258362 570280691 /nfs/dbraw/zinc/28/06/91/570280691.db2.gz HHVNUNHGZXDHRB-UHFFFAOYSA-N 0 0 398.458 5.593 50 0 GKAARN COc1ccc(-c2nc3c(o2)c(O)c(C(C)(C)C)cc3C(C)(C)C)cc1OC ZINC000002266863 570280720 /nfs/dbraw/zinc/28/07/20/570280720.db2.gz TXOWLRMJTIBUJE-UHFFFAOYSA-N 0 0 383.488 5.813 50 0 GKAARN Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)/C=C/c1ccccc1 ZINC000002269617 570280728 /nfs/dbraw/zinc/28/07/28/570280728.db2.gz LJYVDKLPHUQIJG-XRSIXNAVSA-N 0 0 395.546 6.530 50 0 GKAARN COc1ccccc1-c1cc(-c2ccccc2)nc(-c2cc(Cl)ccc2O)c1 ZINC000002267537 570280773 /nfs/dbraw/zinc/28/07/73/570280773.db2.gz PQVGSWMXCOZTFU-UHFFFAOYSA-N 0 0 387.866 6.450 50 0 GKAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002260527 570280780 /nfs/dbraw/zinc/28/07/80/570280780.db2.gz CGXZHOLAVCDNAC-UHFFFAOYSA-N 0 0 391.298 6.236 50 0 GKAARN Brc1ccc(-c2nc3ccccc3c(NC3CCCCC3)n2)cc1 ZINC000002268737 570280781 /nfs/dbraw/zinc/28/07/81/570280781.db2.gz ZYTCGIKXDMYUOQ-UHFFFAOYSA-N 0 0 382.305 5.804 50 0 GKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 ZINC000002272805 570280865 /nfs/dbraw/zinc/28/08/65/570280865.db2.gz MSIAVPZGJAYYHH-UHFFFAOYSA-N 0 0 384.570 5.527 50 0 GKAARN CCCCN(CCCC)c1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002280656 570280869 /nfs/dbraw/zinc/28/08/69/570280869.db2.gz JIXYTVYUSDPOPB-UHFFFAOYSA-N 0 0 398.576 5.497 50 0 GKAARN COc1ccc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)c(F)c1 ZINC000024709297 570281018 /nfs/dbraw/zinc/28/10/18/570281018.db2.gz DCYKVKYWHNRVSF-JOCHJYFZSA-N 0 0 375.399 5.100 50 0 GKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000002275415 570281043 /nfs/dbraw/zinc/28/10/43/570281043.db2.gz NVVNINLKTUDDIE-UHFFFAOYSA-N 0 0 398.597 5.854 50 0 GKAARN CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002284901 570281151 /nfs/dbraw/zinc/28/11/51/570281151.db2.gz OLYQJALCBKLCBT-UHFFFAOYSA-N 0 0 389.326 6.790 50 0 GKAARN CCN(CC)c1ccc(Nc2nc(-c3cccc(C)c3)nc3ccccc32)c(C)c1 ZINC000006720554 570281178 /nfs/dbraw/zinc/28/11/78/570281178.db2.gz FLIDKWYZVNRTCR-UHFFFAOYSA-N 0 0 396.538 6.503 50 0 GKAARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1cccc(N)c1)c1cccc(N)c1 ZINC000002293247 570281179 /nfs/dbraw/zinc/28/11/79/570281179.db2.gz HCQRKFMNRVNFMM-IBGZPJMESA-N 0 0 377.425 5.005 50 0 GKAARN Cc1cc(Cl)ccc1Nc1nc(Cl)nc(Nc2ccc(Cl)cc2C)n1 ZINC000002290004 570281202 /nfs/dbraw/zinc/28/12/02/570281202.db2.gz KOUMQTHFNQJVSU-UHFFFAOYSA-N 0 0 394.693 5.936 50 0 GKAARN CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000002291960 570281312 /nfs/dbraw/zinc/28/13/12/570281312.db2.gz FCKXIRYSFTWMHL-UHFFFAOYSA-N 0 0 387.439 5.321 50 0 GKAARN CCCCC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000006704439 570281313 /nfs/dbraw/zinc/28/13/13/570281313.db2.gz ZJBKHLRXYNOKHZ-UHFFFAOYSA-N 0 0 376.334 5.266 50 0 GKAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000002292855 570281372 /nfs/dbraw/zinc/28/13/72/570281372.db2.gz GDQRIMDLFSTATI-NRFANRHFSA-N 0 0 394.858 5.128 50 0 GKAARN O=S(=O)(Nc1ccc(-c2ccc3ccccc3n2)cc1)c1ccc(Cl)cc1 ZINC000015868489 570281471 /nfs/dbraw/zinc/28/14/71/570281471.db2.gz UCECPNUVQZTREK-UHFFFAOYSA-N 0 0 394.883 5.356 50 0 GKAARN Cc1ccc(-c2csc3nc(-c4ccc(-c5ccccc5)cc4)oc(=O)c23)cc1 ZINC000002294399 570281517 /nfs/dbraw/zinc/28/15/17/570281517.db2.gz XLOQJMMJGGVYQB-UHFFFAOYSA-N 0 0 395.483 6.559 50 0 GKAARN Cc1ccc(C(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1 ZINC000002297485 570281534 /nfs/dbraw/zinc/28/15/34/570281534.db2.gz GQFVWVITMRHWLL-UHFFFAOYSA-N 0 0 398.458 5.262 50 0 GKAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(-c2ccccc2)cc1 ZINC000002296640 570281539 /nfs/dbraw/zinc/28/15/39/570281539.db2.gz ONXWYUMBATXZKD-UHFFFAOYSA-N 0 0 396.442 5.210 50 0 GKAARN CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000006747446 570281584 /nfs/dbraw/zinc/28/15/84/570281584.db2.gz GCRAOJVYXUYPNN-UHFFFAOYSA-N 0 0 397.902 5.412 50 0 GKAARN Cc1ccc([C@@H](CC(=O)NCc2ccccc2)c2cn(C)c3ccccc23)cc1 ZINC000006724778 570281587 /nfs/dbraw/zinc/28/15/87/570281587.db2.gz AHHUHMVNTZWNKM-HSZRJFAPSA-N 0 0 382.507 5.325 50 0 GKAARN CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000002293649 570281569 /nfs/dbraw/zinc/28/15/69/570281569.db2.gz BRRHSVVRHUSPCL-UHFFFAOYSA-N 0 0 387.439 5.321 50 0 GKAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc12 ZINC000002299574 570281575 /nfs/dbraw/zinc/28/15/75/570281575.db2.gz WETQYCIEKUQNJM-UHFFFAOYSA-N 0 0 386.447 5.551 50 0 GKAARN Clc1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1 ZINC000002304938 570281982 /nfs/dbraw/zinc/28/19/82/570281982.db2.gz VARLKUFGGLFBKA-UHFFFAOYSA-N 0 0 394.699 6.985 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000006178712 570282115 /nfs/dbraw/zinc/28/21/15/570282115.db2.gz PGMIUUAEEDRQFS-CABCVRRESA-N 0 0 380.517 5.105 50 0 GKAARN Clc1ccc([C@H](Sc2n[nH]c(-c3ccccc3)n2)c2ccccc2)cc1 ZINC000006178666 570282136 /nfs/dbraw/zinc/28/21/36/570282136.db2.gz OTQBDRKFBYNMLY-LJQANCHMSA-N 0 0 377.900 6.007 50 0 GKAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000002312059 570282167 /nfs/dbraw/zinc/28/21/67/570282167.db2.gz DFHKGJMOXAFCPW-QGZVFWFLSA-N 0 0 399.494 5.761 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(C)cc1 ZINC000002310584 570282184 /nfs/dbraw/zinc/28/21/84/570282184.db2.gz YOSADZRFXIOSCO-UHFFFAOYSA-N 0 0 375.255 5.195 50 0 GKAARN CCCCN(CCCC)C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002309385 570282226 /nfs/dbraw/zinc/28/22/26/570282226.db2.gz LEOLUBJWHSTHCO-UHFFFAOYSA-N 0 0 383.319 5.999 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000002312450 570282314 /nfs/dbraw/zinc/28/23/14/570282314.db2.gz LLIQMUZQAJRYLR-OAQYLSRUSA-N 0 0 376.481 5.117 50 0 GKAARN CN(Cc1ccccc1C(F)(F)F)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101357905 570282672 /nfs/dbraw/zinc/28/26/72/570282672.db2.gz ZFFYFVNKOHWGIR-NRFANRHFSA-N 0 0 396.412 5.231 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000002333223 570282833 /nfs/dbraw/zinc/28/28/33/570282833.db2.gz HTJCKQBLIXHLTJ-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000002327990 570282861 /nfs/dbraw/zinc/28/28/61/570282861.db2.gz IKLWNWGTAGAGNP-UHFFFAOYSA-N 0 0 393.299 5.388 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 ZINC000002331884 570282865 /nfs/dbraw/zinc/28/28/65/570282865.db2.gz XNZKOXGHYAESKR-INIZCTEOSA-N 0 0 394.544 5.035 50 0 GKAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000015881541 570282907 /nfs/dbraw/zinc/28/29/07/570282907.db2.gz PMZJLNNEYRNFEW-UHFFFAOYSA-N 0 0 394.862 5.107 50 0 GKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc(F)ccc1F ZINC000010695433 570283047 /nfs/dbraw/zinc/28/30/47/570283047.db2.gz PKUPJWDNINCTTP-IBGZPJMESA-N 0 0 376.406 5.008 50 0 GKAARN C[C@@H](NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cc2ccccc2o1 ZINC000117409589 570283200 /nfs/dbraw/zinc/28/32/00/570283200.db2.gz QCEKTDNRMATHPN-SNVBAGLBSA-N 0 0 394.315 5.020 50 0 GKAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 ZINC000002335306 570283322 /nfs/dbraw/zinc/28/33/22/570283322.db2.gz XZLJIPSWQQTYMZ-HNNXBMFYSA-N 0 0 395.500 5.113 50 0 GKAARN CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccco1 ZINC000002347864 570283548 /nfs/dbraw/zinc/28/35/48/570283548.db2.gz DAZDPMLXSMQZLJ-JOCHJYFZSA-N 0 0 391.511 5.443 50 0 GKAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1oc2ccccc2c1Cl ZINC000002348142 570283551 /nfs/dbraw/zinc/28/35/51/570283551.db2.gz QORNNSIJFVUEDN-UHFFFAOYSA-N 0 0 389.798 5.542 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=C[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000085221723 570283576 /nfs/dbraw/zinc/28/35/76/570283576.db2.gz IESQYBPJTJOIEI-WKHFTCAKSA-N 0 0 378.644 7.970 50 0 GKAARN Cc1cc(-c2nc3ccccc3o2)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000006770051 570283578 /nfs/dbraw/zinc/28/35/78/570283578.db2.gz RXWBTWDBYYGBPJ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000002352302 570283966 /nfs/dbraw/zinc/28/39/66/570283966.db2.gz FJFAIGIUXOPJEB-UHFFFAOYSA-N 0 0 384.719 5.735 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002363828 570284227 /nfs/dbraw/zinc/28/42/27/570284227.db2.gz JYCPZXKTTOVMNE-SFHVURJKSA-N 0 0 380.491 6.668 50 0 GKAARN Fc1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000002363589 570284297 /nfs/dbraw/zinc/28/42/97/570284297.db2.gz XJWSCZDKLPTZFL-UHFFFAOYSA-N 0 0 382.938 5.915 50 0 GKAARN Fc1cccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000002370675 570284711 /nfs/dbraw/zinc/28/47/11/570284711.db2.gz WLNNYVSHUYLFLK-UHFFFAOYSA-N 0 0 382.938 5.915 50 0 GKAARN 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CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000002594871 570291952 /nfs/dbraw/zinc/29/19/52/570291952.db2.gz WLIZGAPIEQVHRP-UHFFFAOYSA-N 0 0 388.492 6.003 50 0 GKAARN Cc1nn(C)c2sc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)cc12 ZINC000021531332 570291945 /nfs/dbraw/zinc/29/19/45/570291945.db2.gz UOHJMYAJGVUUCW-UHFFFAOYSA-N 0 0 388.452 5.004 50 0 GKAARN CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2C1 ZINC000000691881 570292021 /nfs/dbraw/zinc/29/20/21/570292021.db2.gz WMPJVWZCHIBKLV-HNNXBMFYSA-N 0 0 393.556 5.672 50 0 GKAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000014129600 570292091 /nfs/dbraw/zinc/29/20/91/570292091.db2.gz QPXXTCQRVVSUOI-UHFFFAOYSA-N 0 0 399.412 5.537 50 0 GKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)Nc1ccc(F)cc1 ZINC000002612862 570292277 /nfs/dbraw/zinc/29/22/77/570292277.db2.gz XXUNAESEEXIWDB-UHFFFAOYSA-N 0 0 397.262 5.219 50 0 GKAARN Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3Cl)s2)cs1 ZINC000012917284 570292612 /nfs/dbraw/zinc/29/26/12/570292612.db2.gz 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ZINC000002946360 570319550 /nfs/dbraw/zinc/31/95/50/570319550.db2.gz AMKUQBRKJHVYMN-UHFFFAOYSA-N 0 0 388.467 5.288 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000023331258 570319561 /nfs/dbraw/zinc/31/95/61/570319561.db2.gz JVNCTOXOYGWRSW-SFHVURJKSA-N 0 0 393.508 5.724 50 0 GKAARN CC(C)(C)OC(=O)N1CCC[C@@](CCCO)(c2ccc(Cl)c(Cl)c2)C1 ZINC000072233838 570319628 /nfs/dbraw/zinc/31/96/28/570319628.db2.gz XMLFYXFWHUWIKQ-IBGZPJMESA-N 0 0 388.335 5.035 50 0 GKAARN O=C(c1ccccc1-c1ccc(Cn2cccn2)cc1)N1CCCc2ccccc21 ZINC000022522505 570319810 /nfs/dbraw/zinc/31/98/10/570319810.db2.gz BKJJLEZPAIKBPH-UHFFFAOYSA-N 0 0 393.490 5.191 50 0 GKAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc3ccccc32)cc1 ZINC000002955064 570319792 /nfs/dbraw/zinc/31/97/92/570319792.db2.gz NSNUDPGEKKBSIG-DEOSSOPVSA-N 0 0 380.447 5.620 50 0 GKAARN CCc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000002954747 570319798 /nfs/dbraw/zinc/31/97/98/570319798.db2.gz DFJGKMVJZUCVQG-UHFFFAOYSA-N 0 0 384.888 5.289 50 0 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Cc1c(Cl)cccc1NC(=O)[C@]1(C)CC2c3ccccc3C1c1ccccc12 ZINC000002976864 570321349 /nfs/dbraw/zinc/32/13/49/570321349.db2.gz UDCKKXDXSPPEGK-BNVTUTKDSA-N 0 0 387.910 6.274 50 0 GKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1Cl ZINC000002978569 570321593 /nfs/dbraw/zinc/32/15/93/570321593.db2.gz DHMWZTBVGCBWPI-UHFFFAOYSA-N 0 0 399.233 5.760 50 0 GKAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023335354 570321790 /nfs/dbraw/zinc/32/17/90/570321790.db2.gz ACVYPYRGPLGPTK-UHFFFAOYSA-N 0 0 387.870 5.327 50 0 GKAARN COc1ccccc1CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002979907 570321984 /nfs/dbraw/zinc/32/19/84/570321984.db2.gz RUYZGIZDSTVHPK-UHFFFAOYSA-N 0 0 397.927 5.571 50 0 GKAARN COc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000002980899 570322133 /nfs/dbraw/zinc/32/21/33/570322133.db2.gz QMOMDBHRCVDLGT-UHFFFAOYSA-N 0 0 395.886 5.797 50 0 GKAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccs1 ZINC000002980131 570322224 /nfs/dbraw/zinc/32/22/24/570322224.db2.gz 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CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002985332 570322976 /nfs/dbraw/zinc/32/29/76/570322976.db2.gz IMLCZQBQALOTMS-UHFFFAOYSA-N 0 0 396.434 5.011 50 0 GKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000002984850 570323023 /nfs/dbraw/zinc/32/30/23/570323023.db2.gz BTEGQMKYAWHOFK-UHFFFAOYSA-N 0 0 397.327 5.299 50 0 GKAARN C/C=C/c1ccc(OCCCCOc2ccc(Br)cc2)c(OC)c1 ZINC000002984332 570323031 /nfs/dbraw/zinc/32/30/31/570323031.db2.gz FVENLQSNLNSWKG-ZZXKWVIFSA-N 0 0 391.305 5.729 50 0 GKAARN Fc1ccc(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)c(F)c1 ZINC000023436157 570323181 /nfs/dbraw/zinc/32/31/81/570323181.db2.gz LKQPKTFOLVOBBG-UHFFFAOYSA-N 0 0 375.296 6.459 50 0 GKAARN Cc1noc(-c2ccco2)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000023424647 570323271 /nfs/dbraw/zinc/32/32/71/570323271.db2.gz UEYWBFGNOQZHII-UHFFFAOYSA-N 0 0 386.451 5.195 50 0 GKAARN O=P(Nc1cccc(Cl)c1Cl)(Oc1ccccc1)Oc1ccccc1 ZINC000002986745 570323306 /nfs/dbraw/zinc/32/33/06/570323306.db2.gz PFTLKSKQDDAINX-UHFFFAOYSA-N 0 0 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ZINC000034908269 570340088 /nfs/dbraw/zinc/34/00/88/570340088.db2.gz HCNAXULWLMAGHR-FQEVSTJZSA-N 0 0 377.488 5.024 50 0 GKAARN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908012 570340095 /nfs/dbraw/zinc/34/00/95/570340095.db2.gz YYVOEMPPFQMKLX-LJQANCHMSA-N 0 0 398.453 5.873 50 0 GKAARN CC(C)(C)NC(=O)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908538 570340103 /nfs/dbraw/zinc/34/01/03/570340103.db2.gz DTKMCGZHZNPXTH-GOSISDBHSA-N 0 0 381.451 5.279 50 0 GKAARN O=C(C1CCC1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908128 570340104 /nfs/dbraw/zinc/34/01/04/570340104.db2.gz YLAQLVKYUHZDEV-IBGZPJMESA-N 0 0 382.410 5.237 50 0 GKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3ccccc3)nc2c1 ZINC000034908564 570340105 /nfs/dbraw/zinc/34/01/05/570340105.db2.gz HEUGVINGUHCJQD-QFIPXVFZSA-N 0 0 397.478 6.172 50 0 GKAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908527 570340111 /nfs/dbraw/zinc/34/01/11/570340111.db2.gz LWZRPJJYTHPPHG-QFIPXVFZSA-N 0 0 397.478 6.172 50 0 GKAARN CC(C)CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908323 570340113 /nfs/dbraw/zinc/34/01/13/570340113.db2.gz GWVQFUAKLNWDEB-NRFANRHFSA-N 0 0 391.515 5.270 50 0 GKAARN CCCCNC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000034908466 570340117 /nfs/dbraw/zinc/34/01/17/570340117.db2.gz HKIVBLIHRUMTCO-LJQANCHMSA-N 0 0 381.451 5.281 50 0 GKAARN CCCCNC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908650 570340124 /nfs/dbraw/zinc/34/01/24/570340124.db2.gz SAAYBCYGTOMIPC-LJQANCHMSA-N 0 0 399.441 5.420 50 0 GKAARN CCCCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3OC)ccc2o1 ZINC000034908927 570340407 /nfs/dbraw/zinc/34/04/07/570340407.db2.gz CWZMXIJYOIGVSE-IBGZPJMESA-N 0 0 393.487 5.150 50 0 GKAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(C(C)C)cc1 ZINC000034909449 570340424 /nfs/dbraw/zinc/34/04/24/570340424.db2.gz HXKCPQVFTVKARK-UHFFFAOYSA-N 0 0 388.298 5.863 50 0 GKAARN CSc1cccc(NC(=O)NC(Cc2ccccc2)Cc2ccccc2)c1 ZINC000032948709 570340477 /nfs/dbraw/zinc/34/04/77/570340477.db2.gz XTZJTDDZSSZJBH-UHFFFAOYSA-N 0 0 376.525 5.384 50 0 GKAARN CCCCS(=O)(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034909065 570340544 /nfs/dbraw/zinc/34/05/44/570340544.db2.gz WFFQGQUCYTVPOP-FQEVSTJZSA-N 0 0 398.528 5.070 50 0 GKAARN Cc1cccc(-n2nc(C(=O)Nc3cc(C)cc(C)c3)nc2-c2ccccc2)c1 ZINC000034910989 570340659 /nfs/dbraw/zinc/34/06/59/570340659.db2.gz GYDXNPIYRYGQPY-UHFFFAOYSA-N 0 0 382.467 5.112 50 0 GKAARN CC(C)c1ccc(NC(=O)c2nc(Cc3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000034911093 570340713 /nfs/dbraw/zinc/34/07/13/570340713.db2.gz IZEPWODDDZQIHC-UHFFFAOYSA-N 0 0 396.494 5.234 50 0 GKAARN CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1cc(C)c2ccc(OC)cc2n1 ZINC000006205428 570341413 /nfs/dbraw/zinc/34/14/13/570341413.db2.gz ZTVONKCHQMFADI-QGZVFWFLSA-N 0 0 394.540 5.081 50 0 GKAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccnc(Cl)c1 ZINC000023056453 570342468 /nfs/dbraw/zinc/34/24/68/570342468.db2.gz RVRURXCOYFLJKC-UHFFFAOYSA-N 0 0 383.782 5.130 50 0 GKAARN CC(C)c1ccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000023056800 570342500 /nfs/dbraw/zinc/34/25/00/570342500.db2.gz HUQWYCLMUBFMAQ-INIZCTEOSA-N 0 0 380.463 5.414 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C ZINC000006216524 570342710 /nfs/dbraw/zinc/34/27/10/570342710.db2.gz PKZTVGVKBIVOPD-AWEZNQCLSA-N 0 0 386.904 5.486 50 0 GKAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(C(F)(F)F)cc1 ZINC000006219396 570343035 /nfs/dbraw/zinc/34/30/35/570343035.db2.gz JCWKSALSAVJEGO-UHFFFAOYSA-N 0 0 395.431 5.102 50 0 GKAARN COc1ccc(CCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000006218270 570343123 /nfs/dbraw/zinc/34/31/23/570343123.db2.gz APNOUDKGWUKREU-UHFFFAOYSA-N 0 0 394.452 5.243 50 0 GKAARN O=c1ccccc2c(/C=C\c3c(Cl)cccc3Cl)nn(-c3ccccc3)c21 ZINC000035351708 570343898 /nfs/dbraw/zinc/34/38/98/570343898.db2.gz ZUJNFQVUNNYDRX-YPKPFQOOSA-N 0 0 393.273 5.863 50 0 GKAARN CCc1ccc(C(=O)Nc2c(-c3cccc(F)c3F)nc3cc(C)ccn32)cc1 ZINC000034914974 570344063 /nfs/dbraw/zinc/34/40/63/570344063.db2.gz OBHDWBDJSWQMHK-UHFFFAOYSA-N 0 0 391.421 5.403 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1ccc(Cl)cc1 ZINC000034914983 570344274 /nfs/dbraw/zinc/34/42/74/570344274.db2.gz JPKWNLCGDOJBFL-UHFFFAOYSA-N 0 0 397.812 5.494 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034915066 570344282 /nfs/dbraw/zinc/34/42/82/570344282.db2.gz GUAQXNUZRVGIGV-FCHUYYIVSA-N 0 0 395.506 5.669 50 0 GKAARN CCCc1ccc(C(=O)N2CCC(n3c(C)nc4ccc(C)cc43)CC2)cc1 ZINC000034915296 570344345 /nfs/dbraw/zinc/34/43/45/570344345.db2.gz XYHQSVBVEAFAGT-UHFFFAOYSA-N 0 0 375.516 5.083 50 0 GKAARN Cc1ccc(NC(=O)Nc2c(-c3cccc(Cl)c3)nc3ccc(C)cn32)cc1 ZINC000034915122 570344352 /nfs/dbraw/zinc/34/43/52/570344352.db2.gz IKOJPHLFNMHKGE-UHFFFAOYSA-N 0 0 390.874 5.916 50 0 GKAARN COc1ccc(NC(=O)Nc2c(-c3ccccc3C)nc3ccc(C)cn32)cc1 ZINC000034915130 570344369 /nfs/dbraw/zinc/34/43/69/570344369.db2.gz VSRAEFYSQGGWIW-UHFFFAOYSA-N 0 0 386.455 5.271 50 0 GKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)Nc1cccc(Cl)c1 ZINC000034915077 570344433 /nfs/dbraw/zinc/34/44/33/570344433.db2.gz QKNBWEJJKNYCEM-UHFFFAOYSA-N 0 0 397.265 5.952 50 0 GKAARN COc1cccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn32)c1 ZINC000023114969 570344617 /nfs/dbraw/zinc/34/46/17/570344617.db2.gz VNWSYHXAWIZLIF-UHFFFAOYSA-N 0 0 398.388 5.476 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(F)ccc1F)c2NC(=O)c1ccccc1C ZINC000034916141 570344682 /nfs/dbraw/zinc/34/46/82/570344682.db2.gz SOMDVECQEBACEI-UHFFFAOYSA-N 0 0 377.394 5.149 50 0 GKAARN CC(C)(C)OC(=O)Nc1ccc(Br)cc1NC(=O)OC(C)(C)C ZINC000116419907 570344803 /nfs/dbraw/zinc/34/48/03/570344803.db2.gz LJKCSTXFYRULGQ-UHFFFAOYSA-N 0 0 387.274 5.143 50 0 GKAARN COc1ccc(-c2nn3c(nc(C)cc3Nc3ccc(C)cc3)c2C)cc1OC ZINC000023118851 570344865 /nfs/dbraw/zinc/34/48/65/570344865.db2.gz DGBUFGUEKLQXPH-UHFFFAOYSA-N 0 0 388.471 5.082 50 0 GKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cc(Cl)ccc1Cl ZINC000023119724 570344962 /nfs/dbraw/zinc/34/49/62/570344962.db2.gz IOXKYRLXKQCTLZ-UHFFFAOYSA-N 0 0 389.286 5.449 50 0 GKAARN CCOc1ccc(Oc2ccccc2NC(=O)CCc2c(C)noc2C)cc1 ZINC000023124129 570344977 /nfs/dbraw/zinc/34/49/77/570344977.db2.gz RHBKLKGJPAJBNW-UHFFFAOYSA-N 0 0 380.444 5.054 50 0 GKAARN CC(C)(C)NC(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922132 570345136 /nfs/dbraw/zinc/34/51/36/570345136.db2.gz YSKVUSKPHXTFIV-UHFFFAOYSA-N 0 0 390.458 5.617 50 0 GKAARN COc1ccc(-c2csc3nc(-c4cccnc4)nc(Cl)c23)cc1OC ZINC000003445976 570346212 /nfs/dbraw/zinc/34/62/12/570346212.db2.gz YIQWXHJHNHBKHB-UHFFFAOYSA-N 0 0 383.860 5.091 50 0 aggregator GKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)CCC1CCCC1 ZINC000034912671 570346219 /nfs/dbraw/zinc/34/62/19/570346219.db2.gz NWGOKPPRHCOHNK-UHFFFAOYSA-N 0 0 377.488 5.227 50 0 GKAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc(Cl)c2)cc1 ZINC000034912873 570346522 /nfs/dbraw/zinc/34/65/22/570346522.db2.gz PMTIJDWKKFQLOW-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)CCC2CCCC2)cc1 ZINC000034912772 570346594 /nfs/dbraw/zinc/34/65/94/570346594.db2.gz OMDCELWNNQLMPV-UHFFFAOYSA-N 0 0 377.488 5.227 50 0 GKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000034912927 570346644 /nfs/dbraw/zinc/34/66/44/570346644.db2.gz KBTYVEIMIAYZKY-SFTDATJTSA-N 0 0 381.479 5.360 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3cccc(Cl)c3)n2c1 ZINC000034913199 570346764 /nfs/dbraw/zinc/34/67/64/570346764.db2.gz RFEZEVVUHLJNHA-UHFFFAOYSA-N 0 0 396.277 5.869 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034913271 570346871 /nfs/dbraw/zinc/34/68/71/570346871.db2.gz OAZWPIHGPXMIEL-MRXNPFEDSA-N 0 0 381.495 5.850 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3ccccc3C)n2c1 ZINC000034913214 570346910 /nfs/dbraw/zinc/34/69/10/570346910.db2.gz DBZPTEVIZFVLNL-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)CCC1CCCC1 ZINC000034913172 570346936 /nfs/dbraw/zinc/34/69/36/570346936.db2.gz KNVXJMOYXZOHIV-UHFFFAOYSA-N 0 0 381.907 5.872 50 0 GKAARN Cc1ccc2nc(-c3ccccc3C)c(NC(=O)CSc3ccccc3)n2c1 ZINC000034913350 570347123 /nfs/dbraw/zinc/34/71/23/570347123.db2.gz ACUBUXAJMHQHCM-UHFFFAOYSA-N 0 0 387.508 5.349 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2cccc(OC)c2)nc2ccccn21)c1ccccc1 ZINC000034913417 570347133 /nfs/dbraw/zinc/34/71/33/570347133.db2.gz DTPVDUVQZYNZBK-FQEVSTJZSA-N 0 0 385.467 5.142 50 0 GKAARN Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000004851715 570347195 /nfs/dbraw/zinc/34/71/95/570347195.db2.gz WDLZZWKYPCFKKT-XKZIYDEJSA-N 0 0 387.410 5.058 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)c1cccc(Cl)c1 ZINC000034913319 570347295 /nfs/dbraw/zinc/34/72/95/570347295.db2.gz KQWJLSHDQWDGAO-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000022642917 570347585 /nfs/dbraw/zinc/34/75/85/570347585.db2.gz KKHHARIRJSRZOP-OAHLLOKOSA-N 0 0 387.545 5.993 50 0 GKAARN O=P(NCC12CC3CC(CC(C3)C1)C2)(Oc1ccccc1)Oc1ccccc1 ZINC000006241422 570348015 /nfs/dbraw/zinc/34/80/15/570348015.db2.gz CKMLLEIUVKZUJJ-UHFFFAOYSA-N 0 0 397.455 6.059 50 0 GKAARN COc1cc2c(cc1NC(=O)c1ccc(Br)o1)oc1ccccc12 ZINC000003567052 570348507 /nfs/dbraw/zinc/34/85/07/570348507.db2.gz QJAQDQGBSQRQGR-UHFFFAOYSA-N 0 0 386.201 5.202 50 0 GKAARN COc1cc2c(cc1NC(=O)COc1ccc3ccccc3c1)oc1ccccc12 ZINC000003616811 570348804 /nfs/dbraw/zinc/34/88/04/570348804.db2.gz KKUAGPPXBASLAN-UHFFFAOYSA-N 0 0 397.430 5.765 50 0 GKAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000004855365 570349504 /nfs/dbraw/zinc/34/95/04/570349504.db2.gz NDELGYBXSMCBMY-UHFFFAOYSA-N 0 0 378.884 5.858 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)Nc1ccccc1-2 ZINC000003655210 570349532 /nfs/dbraw/zinc/34/95/32/570349532.db2.gz DUNOZPHRZAEYNT-GOSISDBHSA-N 0 0 382.464 5.073 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)c1 ZINC000003671644 570350240 /nfs/dbraw/zinc/35/02/40/570350240.db2.gz WUTVGXODHTUEEU-UHFFFAOYSA-N 0 0 379.456 5.573 50 0 GKAARN CCCCOc1ccc([C@@H]2CC(=Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000003668377 570350354 /nfs/dbraw/zinc/35/03/54/570350354.db2.gz AJCYMZYWQKQVMO-VWLOTQADSA-N 0 0 398.506 5.949 50 0 GKAARN O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1ccccc1Cl ZINC000035400172 570350425 /nfs/dbraw/zinc/35/04/25/570350425.db2.gz MRVJZLHLPOWLJS-UHFFFAOYSA-N 0 0 399.881 5.101 50 0 GKAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3nc(-c4ccccc4)cn32)cc1 ZINC000004863806 570350561 /nfs/dbraw/zinc/35/05/61/570350561.db2.gz JHVOUQGTZQMIBW-VWLOTQADSA-N 0 0 393.490 5.981 50 0 GKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004862954 570350590 /nfs/dbraw/zinc/35/05/90/570350590.db2.gz FLZLXKGNMOQKKM-AZGAKELHSA-N 0 0 398.506 6.026 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)oc2c1 ZINC000003770756 570350595 /nfs/dbraw/zinc/35/05/95/570350595.db2.gz NXOOOYYGVJLORL-UHFFFAOYSA-N 0 0 398.506 6.661 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3C)oc2c(C)c1 ZINC000003770788 570350747 /nfs/dbraw/zinc/35/07/47/570350747.db2.gz BUAXOUSHZIAGEY-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN Cc1ccc(Nc2nc(Cl)c(Cl)c(SC(F)(F)F)c2Cl)cc1 ZINC000003771059 570350824 /nfs/dbraw/zinc/35/08/24/570350824.db2.gz FKLVKSLCMUCOFP-UHFFFAOYSA-N 0 0 387.641 6.706 50 0 GKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCCSc2ccccc21 ZINC000023228212 570350847 /nfs/dbraw/zinc/35/08/47/570350847.db2.gz ZGKACFRMGINVIK-UHFFFAOYSA-N 0 0 397.931 5.036 50 0 GKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000003830771 570350991 /nfs/dbraw/zinc/35/09/91/570350991.db2.gz UOACKFBJUYNSLK-VEGWMBEDSA-N 0 0 396.571 6.131 50 0 in-man GKAARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870413 570351561 /nfs/dbraw/zinc/35/15/61/570351561.db2.gz UHFPGEQDECGQRI-QHCPKHFHSA-N 0 0 399.881 5.788 50 0 GKAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Br)cc1Cl ZINC000006260052 570352104 /nfs/dbraw/zinc/35/21/04/570352104.db2.gz KDLOYKIFHJUJJZ-UHFFFAOYSA-N 0 0 377.669 5.155 50 0 GKAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1Cl ZINC000006260047 570352124 /nfs/dbraw/zinc/35/21/24/570352124.db2.gz SUBIBSXUJQWPSG-UHFFFAOYSA-N 0 0 382.685 5.243 50 0 GKAARN Cc1ccc2nc(/C(Cl)=C\c3ccccc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000004873048 570352608 /nfs/dbraw/zinc/35/26/08/570352608.db2.gz FQZVBJCJQONDIN-CPNJWEJPSA-N 0 0 394.305 6.777 50 0 GKAARN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(O)cc1 ZINC000003871023 570352623 /nfs/dbraw/zinc/35/26/23/570352623.db2.gz AKJHMTWEGVYYSE-FXILSDISSA-N 0 0 391.555 6.862 50 0 investigational GKAARN OC(c1nc2ccccc2n1-c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003876722 570352912 /nfs/dbraw/zinc/35/29/12/570352912.db2.gz VRSLVUOLVKVAQQ-UHFFFAOYSA-N 0 0 376.459 5.310 50 0 GKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003875448 570352931 /nfs/dbraw/zinc/35/29/31/570352931.db2.gz XAVRSHOUEXATJE-RYAZMJDHSA-N 0 0 382.588 6.607 50 0 GKAARN CC(C)CCN(CCC(C)C)C(=O)CC(=O)N(CCC(C)C)CCC(C)C ZINC000003885188 570353284 /nfs/dbraw/zinc/35/32/84/570353284.db2.gz IIOYIPDHCLBGSX-UHFFFAOYSA-N 0 0 382.633 5.218 50 0 GKAARN FC(F)(F)c1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 ZINC000006269877 570353982 /nfs/dbraw/zinc/35/39/82/570353982.db2.gz PFLCCXNINOGLCQ-LJQANCHMSA-N 0 0 389.467 7.125 50 0 GKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)c(OC)c1 ZINC000004011749 570354109 /nfs/dbraw/zinc/35/41/09/570354109.db2.gz KKEFDQUPJPZNOR-JOCHJYFZSA-N 0 0 392.886 5.713 50 0 GKAARN COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3C)oc21 ZINC000004032227 570355142 /nfs/dbraw/zinc/35/51/42/570355142.db2.gz FDIKCJPPIVFNFW-PNHLSOANSA-N 0 0 381.435 5.526 50 0 GKAARN COc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1Cl ZINC000004885869 570355205 /nfs/dbraw/zinc/35/52/05/570355205.db2.gz NDKSAICNBLRVDC-UHFFFAOYSA-N 0 0 382.872 5.672 50 0 GKAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccc(Cl)cc1 ZINC000004036900 570355204 /nfs/dbraw/zinc/35/52/04/570355204.db2.gz RLTNHVYGUGSWKJ-UHFFFAOYSA-N 0 0 390.822 5.375 50 0 GKAARN O[C@H](c1cc2cc(Br)cc(Br)c2o1)c1ccccc1 ZINC000004050509 570355623 /nfs/dbraw/zinc/35/56/23/570355623.db2.gz JQTKEBYWPXCVTM-AWEZNQCLSA-N 0 0 382.051 5.040 50 0 GKAARN COc1ccc(-c2ccnc(-c3ccc(OC(=O)c4cccs4)cc3)n2)cc1 ZINC000004050266 570355642 /nfs/dbraw/zinc/35/56/42/570355642.db2.gz WBKQCBJHECLEHY-UHFFFAOYSA-N 0 0 388.448 5.100 50 0 GKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000035426084 570355793 /nfs/dbraw/zinc/35/57/93/570355793.db2.gz PJQBXAVKKHOBEL-UHFFFAOYSA-N 0 0 378.457 5.108 50 0 GKAARN Cc1nc(COc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)cs1 ZINC000008075651 570355873 /nfs/dbraw/zinc/35/58/73/570355873.db2.gz PCNLTRMKALETIJ-UHFFFAOYSA-N 0 0 376.840 5.075 50 0 GKAARN CCCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccccc1 ZINC000004883182 570355894 /nfs/dbraw/zinc/35/58/94/570355894.db2.gz SUWOXFVZGBRNHC-HMMYKYKNSA-N 0 0 380.513 5.361 50 0 GKAARN CCCSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000004883112 570355924 /nfs/dbraw/zinc/35/59/24/570355924.db2.gz HIJFSAVHCJINOS-HKWRFOASSA-N 0 0 380.513 5.281 50 0 GKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC(F)(F)F)cc1 ZINC000004054105 570356013 /nfs/dbraw/zinc/35/60/13/570356013.db2.gz APNRLEKVVMSYBM-UHFFFAOYSA-N 0 0 390.361 5.362 50 0 GKAARN Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c2c1CC(C)(C)O2 ZINC000004054692 570356015 /nfs/dbraw/zinc/35/60/15/570356015.db2.gz QKALXCXKQHDMJM-UHFFFAOYSA-N 0 0 381.328 5.824 50 0 GKAARN O=Cc1cn(Cc2nc(C(c3ccccc3)c3ccccc3)no2)c2ccccc12 ZINC000004087548 570357108 /nfs/dbraw/zinc/35/71/08/570357108.db2.gz QHOKMQSERXDLKC-UHFFFAOYSA-N 0 0 393.446 5.065 50 0 GKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(F)cc1)Nc1ccccc1 ZINC000004890840 570357347 /nfs/dbraw/zinc/35/73/47/570357347.db2.gz DDMXVZBEFDXKTF-UHFFFAOYSA-N 0 0 395.503 5.059 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc2ccccc2o1 ZINC000004109842 570357571 /nfs/dbraw/zinc/35/75/71/570357571.db2.gz GFKUHNBXXSLKET-UHFFFAOYSA-N 0 0 388.389 5.694 50 0 GKAARN CC(C)(C)c1ccc(CN2c3ccccc3C(c3ccccc3)=NCC2=O)cc1 ZINC000004110027 570357612 /nfs/dbraw/zinc/35/76/12/570357612.db2.gz YTACYEZOSXXMKZ-UHFFFAOYSA-N 0 0 382.507 5.368 50 0 GKAARN Cc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)Nc2ccccc2)cc1 ZINC000004891439 570357696 /nfs/dbraw/zinc/35/76/96/570357696.db2.gz XDGOECQTBXFOIZ-UHFFFAOYSA-N 0 0 391.540 5.229 50 0 GKAARN CCc1ccccc1NC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429700 570357719 /nfs/dbraw/zinc/35/77/19/570357719.db2.gz RCRNCGGTJAZEKS-UHFFFAOYSA-N 0 0 382.467 5.497 50 0 GKAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004120234 570358370 /nfs/dbraw/zinc/35/83/70/570358370.db2.gz VSSZDBVGTLFCSM-UHFFFAOYSA-N 0 0 382.813 5.140 50 0 GKAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000004123038 570358614 /nfs/dbraw/zinc/35/86/14/570358614.db2.gz CBRKSRFKQPAPBP-LJQANCHMSA-N 0 0 380.532 5.454 50 0 GKAARN Cc1ccc([C@@H]2c3ccccc3O[C@@]3(c4ccccc4)[C@@H]2C3(Cl)Cl)cc1 ZINC000004899328 570358625 /nfs/dbraw/zinc/35/86/25/570358625.db2.gz HHPXRYVQBGSVJS-VSKRKVRLSA-N 0 0 381.302 6.219 50 0 GKAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000004899389 570358646 /nfs/dbraw/zinc/35/86/46/570358646.db2.gz CJILRPJMTRLSNQ-GOSISDBHSA-N 0 0 385.250 5.578 50 0 GKAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2ccccc2c1 ZINC000006278086 570358685 /nfs/dbraw/zinc/35/86/85/570358685.db2.gz OYPKBZJERNYPNO-UHFFFAOYSA-N 0 0 382.467 5.077 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(C)cc4Cl)sc3nc2c1 ZINC000004900071 570359095 /nfs/dbraw/zinc/35/90/95/570359095.db2.gz GRRXYWRXJMQZCL-UHFFFAOYSA-N 0 0 382.872 5.672 50 0 GKAARN CC(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 ZINC000004129386 570359093 /nfs/dbraw/zinc/35/90/93/570359093.db2.gz PVLIWECDWTXJMS-UHFFFAOYSA-N 0 0 382.847 5.561 50 0 GKAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2ccc(Cl)cc2Cl)c1 ZINC000004900417 570359165 /nfs/dbraw/zinc/35/91/65/570359165.db2.gz IZTORILHKXKAKD-IBGZPJMESA-N 0 0 384.266 5.468 50 0 GKAARN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000004148009 570359914 /nfs/dbraw/zinc/35/99/14/570359914.db2.gz BDDYBFKGGNNRHI-UHFFFAOYSA-N 0 0 375.449 5.433 50 0 GKAARN COc1ccc2nc3sc(C(=O)Nc4ccc(C(C)C)cc4)cc3cc2c1 ZINC000004900756 570359920 /nfs/dbraw/zinc/35/99/20/570359920.db2.gz RRJJEYPGDDWLDT-UHFFFAOYSA-N 0 0 376.481 5.834 50 0 GKAARN Cc1ccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035446380 570359921 /nfs/dbraw/zinc/35/99/21/570359921.db2.gz AHFMKNFTAAYZSD-UHFFFAOYSA-N 0 0 379.423 5.399 50 0 GKAARN Cc1ccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1F ZINC000035446371 570359978 /nfs/dbraw/zinc/35/99/78/570359978.db2.gz FNFUSIDJLKPESI-UHFFFAOYSA-N 0 0 397.413 5.538 50 0 GKAARN COc1ccccc1Nc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000035446385 570359995 /nfs/dbraw/zinc/35/99/95/570359995.db2.gz WWYFQRBDRLVPOO-UHFFFAOYSA-N 0 0 395.422 5.099 50 0 GKAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2ccccc2C(F)(F)F)c1 ZINC000004900788 570359999 /nfs/dbraw/zinc/35/99/99/570359999.db2.gz POHBEDIMLFHLSV-LJQANCHMSA-N 0 0 383.373 5.180 50 0 GKAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2cccc(C(F)(F)F)c2)c1 ZINC000004900817 570360044 /nfs/dbraw/zinc/36/00/44/570360044.db2.gz KVIOCDCDBNWQFW-LJQANCHMSA-N 0 0 383.373 5.180 50 0 GKAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1ccccc1 ZINC000033500331 570360047 /nfs/dbraw/zinc/36/00/47/570360047.db2.gz HPUVJSHPLLXROD-UHFFFAOYSA-N 0 0 396.874 5.471 50 0 GKAARN CCc1ccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 ZINC000035446351 570360009 /nfs/dbraw/zinc/36/00/09/570360009.db2.gz ISDLBYRCUMAZGQ-UHFFFAOYSA-N 0 0 393.450 5.653 50 0 GKAARN COc1cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)ccc1O ZINC000004155088 570360111 /nfs/dbraw/zinc/36/01/11/570360111.db2.gz GXZXADANKQZZEF-UHFFFAOYSA-N 0 0 396.490 6.160 50 0 GKAARN CCCN(C(=O)c1cc2c(o1)c1ccccc1nc2C)c1cccc(Cl)c1 ZINC000004902236 570360371 /nfs/dbraw/zinc/36/03/71/570360371.db2.gz XTNLPCUQPUNWMB-UHFFFAOYSA-N 0 0 378.859 6.000 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035446647 570360399 /nfs/dbraw/zinc/36/03/99/570360399.db2.gz GUIARNPMPGVSCD-UHFFFAOYSA-N 0 0 392.890 5.079 50 0 biogenic GKAARN S=c1n(CN2CCC[C@H]2c2cccs2)nc(-c2cccs2)n1C1CC1 ZINC000008114220 570360471 /nfs/dbraw/zinc/36/04/71/570360471.db2.gz HTUMWFCJRBPRNC-AWEZNQCLSA-N 0 0 388.587 5.334 50 0 GKAARN CC(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CC[C@H](C)C2 ZINC000004164113 570360475 /nfs/dbraw/zinc/36/04/75/570360475.db2.gz HCCMATUOZLKGGX-ZDUSSCGKSA-N 0 0 378.497 5.237 50 0 GKAARN CCc1cccc(CC)c1NC(=S)NCCc1c(C)[nH]c2ccc(Cl)cc21 ZINC000004905129 570361111 /nfs/dbraw/zinc/36/11/11/570361111.db2.gz PDHHZNUGODZJSH-UHFFFAOYSA-N 0 0 399.991 5.784 50 0 GKAARN O=C1[C@H]2[C@H](c3nc4cccc5cccc(c54)n31)C1c3ccccc3C2c2ccccc21 ZINC000004175963 570361156 /nfs/dbraw/zinc/36/11/56/570361156.db2.gz MCLNZCFUZHXWAW-CVQXOBEKSA-N 0 0 398.465 5.834 50 0 GKAARN Cc1ccccc1-n1c(/C=C/c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000004178557 570361216 /nfs/dbraw/zinc/36/12/16/570361216.db2.gz NESVAIYXDNKRHK-CCEZHUSRSA-N 0 0 377.447 5.346 50 0 GKAARN CCOc1ccc(-c2nc3ccccc3c(NCCCc3ccccc3)n2)cc1 ZINC000023427501 570362018 /nfs/dbraw/zinc/36/20/18/570362018.db2.gz MAYHRJWXSNKHEQ-UHFFFAOYSA-N 0 0 383.495 5.740 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3cc(C)ccc3n2)cc1 ZINC000006283965 570362021 /nfs/dbraw/zinc/36/20/21/570362021.db2.gz IWPNYKOEYAGTSI-UHFFFAOYSA-N 0 0 381.479 5.728 50 0 GKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000004909110 570362084 /nfs/dbraw/zinc/36/20/84/570362084.db2.gz UGANGUWGWRIHAJ-JOCHJYFZSA-N 0 0 387.389 5.105 50 0 GKAARN CC(C)Sc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 ZINC000004909513 570362134 /nfs/dbraw/zinc/36/21/34/570362134.db2.gz OHJVOWVKVUJEBQ-UHFFFAOYSA-N 0 0 380.542 5.385 50 0 GKAARN COc1ccc(Nc2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc1 ZINC000004909733 570362168 /nfs/dbraw/zinc/36/21/68/570362168.db2.gz AIYGHRJDPCDSHF-UHFFFAOYSA-N 0 0 389.499 5.440 50 0 GKAARN COc1cccc(OC)c1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000004194738 570362269 /nfs/dbraw/zinc/36/22/69/570362269.db2.gz HWGXSNDVUPEYLV-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN CCCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccc(C(C)C)cc1 ZINC000004906809 570362721 /nfs/dbraw/zinc/36/27/21/570362721.db2.gz PVGJTEAVKOUKEZ-UHFFFAOYSA-N 0 0 386.495 6.470 50 0 GKAARN c1ccc(Oc2ccc(-c3nc4ccccc4c(N4CCCCCC4)n3)cc2)cc1 ZINC000023447417 570362759 /nfs/dbraw/zinc/36/27/59/570362759.db2.gz QBYJMULYFSKMRY-UHFFFAOYSA-N 0 0 395.506 6.470 50 0 GKAARN COc1ccc(C(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)cc1 ZINC000004204996 570363047 /nfs/dbraw/zinc/36/30/47/570363047.db2.gz VLTZBEWXHYYNJC-QFIPXVFZSA-N 0 0 383.451 5.045 50 0 GKAARN Cc1ccc(Nc2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)c(C)c1 ZINC000004911130 570363223 /nfs/dbraw/zinc/36/32/23/570363223.db2.gz ZWZRNNBGVUPGDO-UHFFFAOYSA-N 0 0 399.538 6.216 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(OC)c1 ZINC000004913302 570363559 /nfs/dbraw/zinc/36/35/59/570363559.db2.gz KKDAFKPZMLCNBU-QGZVFWFLSA-N 0 0 395.572 5.667 50 0 GKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccc(C)cc2)cc1 ZINC000004913393 570363600 /nfs/dbraw/zinc/36/36/00/570363600.db2.gz SDAHYXCXCNVZCX-HSZRJFAPSA-N 0 0 382.463 5.245 50 0 GKAARN Cc1ccc(CSc2nc3ccncc3n2Cc2cccc(Cl)c2)cc1 ZINC000004913908 570363824 /nfs/dbraw/zinc/36/38/24/570363824.db2.gz VYLGGXXJYQFPTG-UHFFFAOYSA-N 0 0 379.916 5.734 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cc(C)cc(C)c1 ZINC000004913964 570363879 /nfs/dbraw/zinc/36/38/79/570363879.db2.gz MXVZMONGNQRXOC-LJQANCHMSA-N 0 0 393.600 6.276 50 0 GKAARN Fc1ccc(CSc2nc3ccncc3n2Cc2cccc(Cl)c2)cc1 ZINC000004914294 570363892 /nfs/dbraw/zinc/36/38/92/570363892.db2.gz DPFGNMCTKIZCMY-UHFFFAOYSA-N 0 0 383.879 5.564 50 0 GKAARN Cc1ccc(CSc2nc3ccncc3n2Cc2c(C)cc(C)cc2C)cc1 ZINC000004913951 570363929 /nfs/dbraw/zinc/36/39/29/570363929.db2.gz KEAYBPKUSDGHBY-UHFFFAOYSA-N 0 0 387.552 6.006 50 0 GKAARN CCc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004914900 570364039 /nfs/dbraw/zinc/36/40/39/570364039.db2.gz COABLNJBFAOAHT-JOCHJYFZSA-N 0 0 376.887 5.669 50 0 GKAARN CC(=O)c1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004915041 570364070 /nfs/dbraw/zinc/36/40/70/570364070.db2.gz XOQNMOJQYRJXMC-JOCHJYFZSA-N 0 0 390.870 5.309 50 0 GKAARN COc1ccccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004914941 570364105 /nfs/dbraw/zinc/36/41/05/570364105.db2.gz AUZHIKOPBUAIAM-OAQYLSRUSA-N 0 0 378.859 5.115 50 0 GKAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1C ZINC000004915222 570364119 /nfs/dbraw/zinc/36/41/19/570364119.db2.gz OIRKEVKYSLQHDR-QFIPXVFZSA-N 0 0 376.887 5.724 50 0 GKAARN CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004914875 570364202 /nfs/dbraw/zinc/36/42/02/570364202.db2.gz UZUBLYMPZJVLKN-QFIPXVFZSA-N 0 0 376.887 5.669 50 0 GKAARN Cc1cccc(C)c1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004915137 570364221 /nfs/dbraw/zinc/36/42/21/570364221.db2.gz MBRPFHDDWJYXDP-QFIPXVFZSA-N 0 0 376.887 5.724 50 0 GKAARN Cc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)cc1 ZINC000004912015 570364308 /nfs/dbraw/zinc/36/43/08/570364308.db2.gz ZSEYYEPBVONNFX-UHFFFAOYSA-N 0 0 377.557 6.008 50 0 GKAARN CCOc1ccccc1NC(=S)N(Cc1c[nH]c2ccccc12)C1CCCC1 ZINC000004911869 570364347 /nfs/dbraw/zinc/36/43/47/570364347.db2.gz KLPLJVLBWYKAIF-UHFFFAOYSA-N 0 0 393.556 5.708 50 0 GKAARN 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ZINC000012578847 570376493 /nfs/dbraw/zinc/37/64/93/570376493.db2.gz JSXCWPNGJDBTOF-XSFOEPMVSA-N 0 0 386.282 5.247 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl ZINC000004480602 570377466 /nfs/dbraw/zinc/37/74/66/570377466.db2.gz BFBWEKPADQPKTF-VOYPLFDMSA-N 0 0 393.141 5.788 50 0 GKAARN CCCCN(CC)C(=O)c1ccc(Nc2ccnc(-c3cccc(C)c3)n2)cc1 ZINC000035502447 570377531 /nfs/dbraw/zinc/37/75/31/570377531.db2.gz WWQTWZYWIMEWTQ-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN O=C(NCCC1=CCCCC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000035503279 570377800 /nfs/dbraw/zinc/37/78/00/570377800.db2.gz JHJKDXCRTLTUQB-UHFFFAOYSA-N 0 0 379.435 5.331 50 0 GKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3Cl)c(Cl)c12 ZINC000004941133 570378070 /nfs/dbraw/zinc/37/80/70/570378070.db2.gz IKSWAFSGCVHBHJ-UHFFFAOYSA-N 0 0 397.265 5.288 50 0 GKAARN Cc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)cc1C ZINC000035504179 570378591 /nfs/dbraw/zinc/37/85/91/570378591.db2.gz IXDPMGPCOREELI-UHFFFAOYSA-N 0 0 395.260 5.173 50 0 GKAARN COc1ccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000004948631 570379382 /nfs/dbraw/zinc/37/93/82/570379382.db2.gz PQZJVOSWFAHPJP-INIZCTEOSA-N 0 0 399.943 5.684 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(F)cc(F)c1 ZINC000102663789 570380128 /nfs/dbraw/zinc/38/01/28/570380128.db2.gz ZWQCNTRTZYHCEO-QFIPXVFZSA-N 0 0 396.437 5.777 50 0 GKAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000033580761 570380751 /nfs/dbraw/zinc/38/07/51/570380751.db2.gz BDVRMUXWLOJMHR-RUZDIDTESA-N 0 0 395.506 5.895 50 0 GKAARN CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccs1 ZINC000004516422 570380911 /nfs/dbraw/zinc/38/09/11/570380911.db2.gz KHLQGTBTBLCMGX-UHFFFAOYSA-N 0 0 379.510 5.155 50 0 GKAARN Cc1nc(-c2ccco2)sc1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000090593428 570381287 /nfs/dbraw/zinc/38/12/87/570381287.db2.gz IYZKCOQJQXOWMS-UHFFFAOYSA-N 0 0 388.492 5.160 50 0 GKAARN CCCCN(C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)c1ccccc1 ZINC000004959055 570381335 /nfs/dbraw/zinc/38/13/35/570381335.db2.gz BIRSONOJEPDDTA-UHFFFAOYSA-N 0 0 397.474 5.907 50 0 GKAARN CCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccc(F)cc1 ZINC000004958492 570381360 /nfs/dbraw/zinc/38/13/60/570381360.db2.gz ATWUZWWLOFGPCR-UHFFFAOYSA-N 0 0 382.866 5.573 50 0 GKAARN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958588 570381418 /nfs/dbraw/zinc/38/14/18/570381418.db2.gz GVCKNVOHQFZWML-UHFFFAOYSA-N 0 0 385.294 5.350 50 0 GKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958547 570381426 /nfs/dbraw/zinc/38/14/26/570381426.db2.gz QQPYVRBNKMCXDV-FQEVSTJZSA-N 0 0 390.914 5.574 50 0 GKAARN S=c1n(CN2CCCCC2)nc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000004524406 570381642 /nfs/dbraw/zinc/38/16/42/570381642.db2.gz FLVFGHSMMUSRQG-UHFFFAOYSA-N 0 0 398.963 5.226 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000257364938 570381807 /nfs/dbraw/zinc/38/18/07/570381807.db2.gz PBFZSWXDPNPAAM-PZYZEXEXSA-N 0 0 386.472 5.759 50 0 GKAARN O=C1c2ccccc2[C@H](Nc2cc(Cl)ccc2Cl)N1Cc1ccccc1 ZINC000004960748 570382336 /nfs/dbraw/zinc/38/23/36/570382336.db2.gz JIOWQFYMPMKFSN-HXUWFJFHSA-N 0 0 383.278 5.760 50 0 GKAARN O=C1c2ccccc2[C@@H](Nc2ccccc2Br)N1Cc1ccccc1 ZINC000004960503 570382417 /nfs/dbraw/zinc/38/24/17/570382417.db2.gz KUNUTHYGLXQESD-FQEVSTJZSA-N 0 0 393.284 5.216 50 0 GKAARN O=C(CCc1ccco1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000024352049 570382404 /nfs/dbraw/zinc/38/24/04/570382404.db2.gz XJDMBHFIALUOQB-LJQANCHMSA-N 0 0 392.886 5.295 50 0 GKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1OC ZINC000004534939 570382503 /nfs/dbraw/zinc/38/25/03/570382503.db2.gz AKXTYIHZEWEMCG-OAQYLSRUSA-N 0 0 392.886 5.713 50 0 GKAARN C[C@H](NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1)c1ccccc1 ZINC000035509945 570382535 /nfs/dbraw/zinc/38/25/35/570382535.db2.gz FOIQPFKMWUSCSB-ZDUSSCGKSA-N 0 0 395.915 5.446 50 0 GKAARN O=C(CCCc1ccccc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 ZINC000090607067 570382574 /nfs/dbraw/zinc/38/25/74/570382574.db2.gz FDUXKFNEULBRMP-UHFFFAOYSA-N 0 0 393.556 5.366 50 0 GKAARN CC(=O)c1cccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000004961350 570382808 /nfs/dbraw/zinc/38/28/08/570382808.db2.gz ZIKYCBDQECCWGR-NRFANRHFSA-N 0 0 376.843 5.314 50 0 GKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N(C)Cc4ccccc4)sc3c2c1 ZINC000004961528 570382961 /nfs/dbraw/zinc/38/29/61/570382961.db2.gz KQJITRUHMLESMI-UHFFFAOYSA-N 0 0 380.900 5.684 50 0 GKAARN O=C(CSc1c2ccc(Cl)cc2nc2c1CCCC2)NC1CCCCC1 ZINC000004961662 570383026 /nfs/dbraw/zinc/38/30/26/570383026.db2.gz IBTSJIXOKIWLSY-UHFFFAOYSA-N 0 0 388.964 5.308 50 0 GKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N(C)c4ccc(C)c(C)c4)sc3c2c1 ZINC000004961593 570383117 /nfs/dbraw/zinc/38/31/17/570383117.db2.gz XBFYDTVKKYNBQO-UHFFFAOYSA-N 0 0 394.927 6.305 50 0 GKAARN Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024384863 570383163 /nfs/dbraw/zinc/38/31/63/570383163.db2.gz RFSFNMRRGVOGNC-GOSISDBHSA-N 0 0 380.513 5.046 50 0 GKAARN O=C(CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1)c1cccs1 ZINC000024383616 570383244 /nfs/dbraw/zinc/38/32/44/570383244.db2.gz RXPKJGRDJICLKM-OAHLLOKOSA-N 0 0 384.526 5.075 50 0 GKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000024393572 570383555 /nfs/dbraw/zinc/38/35/55/570383555.db2.gz NUEOFZYIOBAHAH-MRXNPFEDSA-N 0 0 379.287 5.155 50 0 GKAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)NCCC1=CCCCC1 ZINC000035510310 570383991 /nfs/dbraw/zinc/38/39/91/570383991.db2.gz MDPWFDKVJWVWKQ-UHFFFAOYSA-N 0 0 389.293 5.033 50 0 GKAARN O=C(c1ccc2ccccc2c1)c1cnc2cc(Cl)ccc2c1-c1ccccc1 ZINC000004568131 570384994 /nfs/dbraw/zinc/38/49/94/570384994.db2.gz NMDFWBDCMRDINX-UHFFFAOYSA-N 0 0 393.873 6.939 50 0 GKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970042 570385096 /nfs/dbraw/zinc/38/50/96/570385096.db2.gz DSDBLZPIEOKWQZ-UHFFFAOYSA-N 0 0 381.454 6.251 50 0 GKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000004970045 570385104 /nfs/dbraw/zinc/38/51/04/570385104.db2.gz OGGQVMLXDWOTRJ-UHFFFAOYSA-N 0 0 397.909 6.765 50 0 GKAARN Fc1cccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)c1 ZINC000004969996 570385126 /nfs/dbraw/zinc/38/51/26/570385126.db2.gz FOKTZQPMGNGVIO-UHFFFAOYSA-N 0 0 397.409 5.151 50 0 GKAARN COc1ccc(C(C)=O)cc1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000024527354 570385260 /nfs/dbraw/zinc/38/52/60/570385260.db2.gz SICKOOQTLUTRNR-NRFANRHFSA-N 0 0 383.538 5.169 50 0 GKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970135 570385308 /nfs/dbraw/zinc/38/53/08/570385308.db2.gz GLVSXNXONKBCSL-UHFFFAOYSA-N 0 0 379.463 5.866 50 0 GKAARN CCOc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004970113 570385326 /nfs/dbraw/zinc/38/53/26/570385326.db2.gz QLOCEXGTNMRCCR-UHFFFAOYSA-N 0 0 397.453 6.087 50 0 GKAARN Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000004970115 570385329 /nfs/dbraw/zinc/38/53/29/570385329.db2.gz ZFJHNTPSIXGWAY-UHFFFAOYSA-N 0 0 391.808 6.172 50 0 GKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1Cl ZINC000004970199 570385394 /nfs/dbraw/zinc/38/53/94/570385394.db2.gz OFLKCGLNYDWAEE-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN COc1ccc(-n2nc(-c3ccc(C)cc3)c3cnc4cc(Cl)ccc4c32)cc1 ZINC000004970191 570385419 /nfs/dbraw/zinc/38/54/19/570385419.db2.gz YVKKPLBCGOLPKD-UHFFFAOYSA-N 0 0 399.881 6.211 50 0 GKAARN COc1ccc(-n2nc(-c3cccc(OC)c3)c3cnc4ccccc4c32)cc1 ZINC000004970277 570385554 /nfs/dbraw/zinc/38/55/54/570385554.db2.gz AGPUJHVWGDRTEZ-UHFFFAOYSA-N 0 0 381.435 5.258 50 0 GKAARN COc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc32)cc1OC ZINC000004970309 570385562 /nfs/dbraw/zinc/38/55/62/570385562.db2.gz OKGWZGLQLDSZRJ-UHFFFAOYSA-N 0 0 381.435 5.258 50 0 GKAARN CCc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000004970271 570385577 /nfs/dbraw/zinc/38/55/77/570385577.db2.gz DJNOOMNWTREFSA-UHFFFAOYSA-N 0 0 381.454 6.251 50 0 GKAARN COc1cccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(F)cc32)c1 ZINC000004970299 570385607 /nfs/dbraw/zinc/38/56/07/570385607.db2.gz DHCSZNZCPSROFQ-UHFFFAOYSA-N 0 0 383.426 5.697 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004577707 570385651 /nfs/dbraw/zinc/38/56/51/570385651.db2.gz WEQDBMDQIJLQQM-UHFFFAOYSA-N 0 0 384.907 5.250 50 0 GKAARN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)cc2)cc1 ZINC000004588312 570386081 /nfs/dbraw/zinc/38/60/81/570386081.db2.gz DKQVPNJQPLDRMX-HMAPJEAMSA-N 0 0 387.410 5.058 50 0 GKAARN Cc1ccc(Cn2cccc2C2=N[C@H](CSCc3ccc(F)cc3)CO2)cc1 ZINC000004970815 570386466 /nfs/dbraw/zinc/38/64/66/570386466.db2.gz PVYGAJVBDBZTOE-NRFANRHFSA-N 0 0 394.515 5.063 50 0 GKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)N(C)c2cccc(C)c2)cc1 ZINC000004972103 570386858 /nfs/dbraw/zinc/38/68/58/570386858.db2.gz JOJAFCAKNKDZKH-UHFFFAOYSA-N 0 0 383.447 5.353 50 0 GKAARN Cc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)cc1Cl ZINC000004972061 570386881 /nfs/dbraw/zinc/38/68/81/570386881.db2.gz RHFFTOFKRVKEJY-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN COc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C=C2C ZINC000004602620 570386971 /nfs/dbraw/zinc/38/69/71/570386971.db2.gz RIGSCQWAWIRFFV-UHFFFAOYSA-N 0 0 391.298 6.236 50 0 GKAARN O=C(Nc1ccc(F)c(Cl)c1)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000004972056 570387067 /nfs/dbraw/zinc/38/70/67/570387067.db2.gz KDDXUBSJJQMVOR-UHFFFAOYSA-N 0 0 393.801 5.505 50 0 GKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000004972094 570387084 /nfs/dbraw/zinc/38/70/84/570387084.db2.gz LILUMLANLXGPBT-UHFFFAOYSA-N 0 0 397.474 6.144 50 0 GKAARN CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000004611531 570387309 /nfs/dbraw/zinc/38/73/09/570387309.db2.gz NOMDHNSQVPSCTL-ZTFGCOKTSA-N 0 0 397.540 5.182 50 0 GKAARN Cc1cccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)nc21 ZINC000004613837 570387612 /nfs/dbraw/zinc/38/76/12/570387612.db2.gz QAHDLIDLQPUSEH-UHFFFAOYSA-N 0 0 385.511 5.693 50 0 GKAARN Oc1cc(N2CCOCC2)c2ccccc2c1Sc1nc2ccccc2s1 ZINC000004615057 570388021 /nfs/dbraw/zinc/38/80/21/570388021.db2.gz TUJKNQWREWGHAR-UHFFFAOYSA-N 0 0 394.521 5.143 50 0 GKAARN Cc1c2cc(C)cc(C)c2oc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000526052196 570388253 /nfs/dbraw/zinc/38/82/53/570388253.db2.gz DCDBUWXMDIXQOH-UHFFFAOYSA-N 0 0 398.890 5.100 50 0 GKAARN O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1cccnc1 ZINC000024639016 570388473 /nfs/dbraw/zinc/38/84/73/570388473.db2.gz UKZPDGGTVYBWSV-DEOSSOPVSA-N 0 0 385.511 5.150 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(C)c3C)cc12 ZINC000004979992 570388526 /nfs/dbraw/zinc/38/85/26/570388526.db2.gz IDCAPQZVWIVKTC-UHFFFAOYSA-N 0 0 379.460 5.404 50 0 GKAARN CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3nc4ccccc4s3)c2)cc1 ZINC000004980021 570388591 /nfs/dbraw/zinc/38/85/91/570388591.db2.gz JFLDKQJYAMALIB-UHFFFAOYSA-N 0 0 388.448 5.141 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000004628749 570388708 /nfs/dbraw/zinc/38/87/08/570388708.db2.gz KBFHOVOZCMTTAU-HXUWFJFHSA-N 0 0 382.385 5.785 50 0 GKAARN Oc1cccc2ccc(/C=C/c3ccccc3OCc3ccccc3Cl)nc12 ZINC000004631163 570388717 /nfs/dbraw/zinc/38/87/17/570388717.db2.gz KNCKGFQSMLPZLS-WYMLVPIESA-N 0 0 387.866 6.343 50 0 GKAARN Cc1nn(C2c3ccccc3Oc3ccccc32)c(=S)n1Cc1ccccc1 ZINC000004628709 570388748 /nfs/dbraw/zinc/38/87/48/570388748.db2.gz ZZSVQWBANMFYTD-UHFFFAOYSA-N 0 0 385.492 5.514 50 0 GKAARN CC(C)(C)OC(=O)NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000526059768 570388948 /nfs/dbraw/zinc/38/89/48/570388948.db2.gz UAXDVZMROHRWRN-UHFFFAOYSA-N 0 0 382.287 5.597 50 0 GKAARN Cc1c(Br)cc(OCc2ccccc2)c(OCc2ccccc2)c1C ZINC000526059780 570389020 /nfs/dbraw/zinc/38/90/20/570389020.db2.gz CGFCCTYVJZGEBJ-UHFFFAOYSA-N 0 0 397.312 6.224 50 0 GKAARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004632167 570389065 /nfs/dbraw/zinc/38/90/65/570389065.db2.gz GYSUOACBVOLLBB-HSZRJFAPSA-N 0 0 394.478 5.272 50 0 GKAARN Cc1cccn2cc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)nc12 ZINC000004649856 570389373 /nfs/dbraw/zinc/38/93/73/570389373.db2.gz AGIDVXYTZCZOGP-UHFFFAOYSA-N 0 0 376.847 5.607 50 0 GKAARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000004648587 570389392 /nfs/dbraw/zinc/38/93/92/570389392.db2.gz DKAGYOSZIJCFLT-HGLKBHAMSA-N 0 0 399.497 5.142 50 0 aggregator GKAARN Clc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)C2)cc1 ZINC000004648799 570389446 /nfs/dbraw/zinc/38/94/46/570389446.db2.gz SANZUAGPUNBPRS-OAQYLSRUSA-N 0 0 384.331 7.351 50 0 GKAARN O=C(Nc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000006340409 570389902 /nfs/dbraw/zinc/38/99/02/570389902.db2.gz XRLPIGVOYUNFSX-WAPCQROESA-N 0 0 396.490 5.171 50 0 GKAARN C[C@@H]1C[C@@]2(c3ccccc3)[C@H](Oc3ccccc3)C(=O)N2c2ccccc2S1 ZINC000004659002 570390105 /nfs/dbraw/zinc/39/01/05/570390105.db2.gz WVAUFQFPHJUORV-CUHUQNRHSA-N 0 0 387.504 5.261 50 0 GKAARN CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccco2)c2ccccc2)C[C@@H]1C ZINC000004988684 570390288 /nfs/dbraw/zinc/39/02/88/570390288.db2.gz FHUUYOSDYBRILC-LAUBAEHRSA-N 0 0 388.467 5.203 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000004659939 570390290 /nfs/dbraw/zinc/39/02/90/570390290.db2.gz AGJJGBKIBWTOCU-UHFFFAOYSA-N 0 0 394.858 5.243 50 0 GKAARN CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccccc4)cc3c2C1 ZINC000004660826 570390332 /nfs/dbraw/zinc/39/03/32/570390332.db2.gz JUNHQMHQXVQOLQ-OAHLLOKOSA-N 0 0 383.513 5.385 50 0 GKAARN C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2C1 ZINC000004660832 570390346 /nfs/dbraw/zinc/39/03/46/570390346.db2.gz DNDSIVYFMLCCBW-OAHLLOKOSA-N 0 0 397.540 5.656 50 0 GKAARN CC(C)(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000004984763 570390352 /nfs/dbraw/zinc/39/03/52/570390352.db2.gz IMTWCZBSTMROJG-UHFFFAOYSA-N 0 0 399.947 5.354 50 0 GKAARN CC(C)Oc1ccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000004660135 570390365 /nfs/dbraw/zinc/39/03/65/570390365.db2.gz UPUMCNWAHAWFBY-UHFFFAOYSA-N 0 0 380.491 6.617 50 0 GKAARN c1ccc([C@H]2C[C@@H](c3ccccc3)N(c3ccccc3)[C@@H](c3ccccc3)O2)cc1 ZINC000004661614 570390493 /nfs/dbraw/zinc/39/04/93/570390493.db2.gz HEZOFEVKWQYVSB-UPRLRBBYSA-N 0 0 391.514 7.095 50 0 GKAARN c1ccc([C@H]2C[C@H](c3ccccc3)N(c3ccccc3)[C@@H](c3ccccc3)O2)cc1 ZINC000004661615 570390640 /nfs/dbraw/zinc/39/06/40/570390640.db2.gz HEZOFEVKWQYVSB-JCYYIGJDSA-N 0 0 391.514 7.095 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000035536406 570390665 /nfs/dbraw/zinc/39/06/65/570390665.db2.gz LXHKTHGZFFBWRA-UHFFFAOYSA-N 0 0 385.261 5.282 50 0 GKAARN O=C(Nc1ccccc1)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccccc1)N2 ZINC000004661101 570390645 /nfs/dbraw/zinc/39/06/45/570390645.db2.gz RCPQMDPRNBTMPV-OMUDAWCKSA-N 0 0 394.518 6.235 50 0 GKAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1F ZINC000004991987 570390699 /nfs/dbraw/zinc/39/06/99/570390699.db2.gz RQUWSOIUCROCNM-OAQYLSRUSA-N 0 0 380.850 5.554 50 0 GKAARN Cc1c(Cl)cccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004992003 570390737 /nfs/dbraw/zinc/39/07/37/570390737.db2.gz VRHLCQBOQGWDCQ-OAQYLSRUSA-N 0 0 397.305 6.069 50 0 GKAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1F ZINC000004991986 570390778 /nfs/dbraw/zinc/39/07/78/570390778.db2.gz RQUWSOIUCROCNM-NRFANRHFSA-N 0 0 380.850 5.554 50 0 GKAARN COC(=O)c1cc(Nc2ccc(OCc3ccccc3)cc2)c2cc(C)ccc2n1 ZINC000035536946 570390805 /nfs/dbraw/zinc/39/08/05/570390805.db2.gz OLXVMBGBUBFUIB-UHFFFAOYSA-N 0 0 398.462 5.652 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000004664501 570390837 /nfs/dbraw/zinc/39/08/37/570390837.db2.gz QMZLSEZKZOKNTP-LBPRGKRZSA-N 0 0 396.712 5.634 50 0 GKAARN CSc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000004664707 570390924 /nfs/dbraw/zinc/39/09/24/570390924.db2.gz IDUTYAYAOHARGJ-PGMHBOJBSA-N 0 0 386.476 5.231 50 0 GKAARN COc1ccc(Cl)cc1N[C@@H]1c2ccccc2C(=O)N1c1ccccc1C ZINC000004992395 570390946 /nfs/dbraw/zinc/39/09/46/570390946.db2.gz SNWSTWHLBKIDLK-NRFANRHFSA-N 0 0 378.859 5.428 50 0 GKAARN Cc1ccc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c(Cl)c1 ZINC000004992442 570391029 /nfs/dbraw/zinc/39/10/29/570391029.db2.gz PTDLJOIXPHYDLY-UHFFFAOYSA-N 0 0 382.891 5.189 50 0 GKAARN Clc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccccc2)c(Cl)c1 ZINC000004665062 570391158 /nfs/dbraw/zinc/39/11/58/570391158.db2.gz 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C[C@@H]1CCCCN1c1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1 ZINC000004672458 570392119 /nfs/dbraw/zinc/39/21/19/570392119.db2.gz GWMGMEURSXURQC-CQSZACIVSA-N 0 0 396.445 5.016 50 0 GKAARN CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccccc3)nn(C(=O)CCc3ccccc3)c21 ZINC000004671445 570392130 /nfs/dbraw/zinc/39/21/30/570392130.db2.gz XHURPOOOURCQLR-UGKGYDQZSA-N 0 0 386.539 6.460 50 0 GKAARN C/C(=C/C(=O)n1nc(-c2ccccc2)c2c1[C@@H](C(C)C)CC[C@H]2C)c1ccccc1 ZINC000004671451 570392230 /nfs/dbraw/zinc/39/22/30/570392230.db2.gz NEOLYGWYOAJSFY-NIDWFKGYSA-N 0 0 398.550 6.931 50 0 GKAARN O=C(NC1CCCCC1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000035527274 570392634 /nfs/dbraw/zinc/39/26/34/570392634.db2.gz YJGKIEXCMHFSTO-UHFFFAOYSA-N 0 0 391.446 5.138 50 0 GKAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000024775031 570392976 /nfs/dbraw/zinc/39/29/76/570392976.db2.gz FHNXGSISTFQVNO-GOSISDBHSA-N 0 0 392.421 5.175 50 0 GKAARN Nc1c(Cl)cc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1Cl ZINC000011701610 570393080 /nfs/dbraw/zinc/39/30/80/570393080.db2.gz BKRBUXLLYCOHOM-UHFFFAOYSA-N 0 0 383.234 5.039 50 0 GKAARN Cc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000035528080 570393157 /nfs/dbraw/zinc/39/31/57/570393157.db2.gz UHCOXOMHYBJXAI-UHFFFAOYSA-N 0 0 377.513 5.108 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000004691106 570393631 /nfs/dbraw/zinc/39/36/31/570393631.db2.gz OGPZNZKESPCXDD-IBGZPJMESA-N 0 0 388.319 6.466 50 0 GKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3c[nH]c4ccccc34)c2n1 ZINC000006333304 570393759 /nfs/dbraw/zinc/39/37/59/570393759.db2.gz VMCFLUZGUSKKKG-UHFFFAOYSA-N 0 0 385.250 5.593 50 0 GKAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cc2ccccc2o1 ZINC000006335403 570393774 /nfs/dbraw/zinc/39/37/74/570393774.db2.gz OJPDPEWSIDSJHK-UHFFFAOYSA-N 0 0 395.846 5.187 50 0 GKAARN CCn1c(-c2cccs2)nn(C2c3ccccc3Oc3ccccc32)c1=S ZINC000004694515 570393869 /nfs/dbraw/zinc/39/38/69/570393869.db2.gz SZMYJMZODWVYDN-UHFFFAOYSA-N 0 0 391.521 5.906 50 0 GKAARN COc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000005008124 570393920 /nfs/dbraw/zinc/39/39/20/570393920.db2.gz ZHDKWOBJRGGRMC-JOCHJYFZSA-N 0 0 397.305 6.358 50 0 GKAARN CCCOc1ccc(Nc2c(C(=O)[O-])cnc3c2cccc3C(F)(F)F)cc1 ZINC000005009064 570393953 /nfs/dbraw/zinc/39/39/53/570393953.db2.gz MAYWAXWEXSMISA-UHFFFAOYSA-N 0 0 390.361 5.484 50 0 GKAARN Clc1ccc(OCc2nc(COc3ccc(-c4nnco4)cc3)cs2)cc1 ZINC000024827542 570394355 /nfs/dbraw/zinc/39/43/55/570394355.db2.gz LXENUZXIABFLNA-UHFFFAOYSA-N 0 0 399.859 5.005 50 0 GKAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000024830989 570394775 /nfs/dbraw/zinc/39/47/75/570394775.db2.gz FEQDAEBGEWASQJ-UHFFFAOYSA-N 0 0 388.492 5.484 50 0 GKAARN CCc1cccc(NC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)c1 ZINC000005007253 570394853 /nfs/dbraw/zinc/39/48/53/570394853.db2.gz OXTAYUXHLINDPG-UHFFFAOYSA-N 0 0 391.496 5.125 50 0 GKAARN COc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)cs2)c1OC ZINC000024832139 570395071 /nfs/dbraw/zinc/39/50/71/570395071.db2.gz 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O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21)c1ccccc1 ZINC000026687862 570427798 /nfs/dbraw/zinc/42/77/98/570427798.db2.gz PADKJTKOMVCOEK-UHFFFAOYSA-N 0 0 382.250 5.560 50 0 GKAARN Cc1ccc(C(=O)Nc2sc(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000026688346 570427847 /nfs/dbraw/zinc/42/78/47/570427847.db2.gz ILJDAZBPICBIKM-UHFFFAOYSA-N 0 0 376.506 6.099 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000005065028 570427904 /nfs/dbraw/zinc/42/79/04/570427904.db2.gz ZIVPRZHIIYNXJL-UHFFFAOYSA-N 0 0 387.483 5.435 50 0 GKAARN COc1cccc(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1 ZINC000005073020 570428066 /nfs/dbraw/zinc/42/80/66/570428066.db2.gz CSTODFBAWFLUHZ-UHFFFAOYSA-N 0 0 386.476 5.738 50 0 GKAARN Clc1cccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)c1 ZINC000005071589 570428075 /nfs/dbraw/zinc/42/80/75/570428075.db2.gz FPKRMYRZJOATSI-UHFFFAOYSA-N 0 0 376.872 5.110 50 0 GKAARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1)c1cccs1 ZINC000100672986 570428205 /nfs/dbraw/zinc/42/82/05/570428205.db2.gz 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Cc1ccc2c(c1)oc(-c1ccco1)c(O[C@H](C)C(=O)OC1CCCCC1)c2=O ZINC000001910788 570447184 /nfs/dbraw/zinc/44/71/84/570447184.db2.gz IWNIHIRCKVGZRU-OAHLLOKOSA-N 0 0 396.439 5.005 50 0 GKAARN CCCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 ZINC000011916514 570447317 /nfs/dbraw/zinc/44/73/17/570447317.db2.gz JNTIKVDXJUJSPU-UHFFFAOYSA-N 0 0 381.497 5.393 50 0 GKAARN CCCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000011914479 570447723 /nfs/dbraw/zinc/44/77/23/570447723.db2.gz RXSVMFKNTWQVSO-UHFFFAOYSA-N 0 0 394.902 5.761 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(F)c(Cl)c3)c3cc(C)ccc3o2)cc1 ZINC000001912180 570447949 /nfs/dbraw/zinc/44/79/49/570447949.db2.gz GOYVGBULNXLUNU-YYADALCUSA-N 0 0 393.845 6.442 50 0 GKAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)oc2c1C ZINC000027989500 570447990 /nfs/dbraw/zinc/44/79/90/570447990.db2.gz PNJNBPYHRMISPL-UHFFFAOYSA-N 0 0 395.764 5.334 50 0 GKAARN Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1 ZINC000011914843 570448137 /nfs/dbraw/zinc/44/81/37/570448137.db2.gz WTYQPVYDEYKQFK-SFHVURJKSA-N 0 0 394.902 5.353 50 0 GKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)Cc1cccs1 ZINC000011917455 570448146 /nfs/dbraw/zinc/44/81/46/570448146.db2.gz UXZHAQNAGCTBMJ-UHFFFAOYSA-N 0 0 398.871 5.492 50 0 GKAARN CC(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc1 ZINC000027990034 570448308 /nfs/dbraw/zinc/44/83/08/570448308.db2.gz STRCVOTUWOFEIN-UHFFFAOYSA-N 0 0 398.462 5.158 50 0 GKAARN FC(F)(F)c1ccc(Cl)c(N2C(=S)N=NC2[C@H]2C[C@H]2c2ccccc2)c1 ZINC000005593946 570448363 /nfs/dbraw/zinc/44/83/63/570448363.db2.gz ZYUXKGDCCODIMB-STQMWFEESA-N 0 0 395.837 5.499 50 0 GKAARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(N)cc1 ZINC000252394326 570448403 /nfs/dbraw/zinc/44/84/03/570448403.db2.gz HOOKVNFEZIRHLQ-UHFFFAOYSA-N 0 0 397.457 5.368 50 0 GKAARN Cc1c2ccccc2oc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000027990482 570448404 /nfs/dbraw/zinc/44/84/04/570448404.db2.gz BNAASTRFGZFFQJ-UHFFFAOYSA-N 0 0 376.481 5.146 50 0 GKAARN O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)c1ccc2ccccc2c1 ZINC000032957457 570449919 /nfs/dbraw/zinc/44/99/19/570449919.db2.gz HJQGCPFKFMFGKG-UHFFFAOYSA-N 0 0 384.431 5.043 50 0 GKAARN COc1cc(C=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000005661018 570450370 /nfs/dbraw/zinc/45/03/70/570450370.db2.gz DLZWUSPANAVRFR-UHFFFAOYSA-N 0 0 390.060 5.156 50 0 GKAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000001948918 570450912 /nfs/dbraw/zinc/45/09/12/570450912.db2.gz FOGHZGWTGXEHCT-UHFFFAOYSA-N 0 0 383.488 5.058 50 0 GKAARN CC1=C(C)[C@@]2(C)c3c(c(C)c4c(c3C)[C@@]3(C)C(C)=C(C)[C@]4(C)N3C)[C@]1(C)N2C ZINC000005678706 570451114 /nfs/dbraw/zinc/45/11/14/570451114.db2.gz DLKWAUOLKXUZTD-FATVKVNYSA-N 0 0 376.588 5.755 50 0 GKAARN Clc1ccc(-c2cc(COc3cc(Cl)c(Cl)cc3Cl)on2)cc1 ZINC000005675895 570451168 /nfs/dbraw/zinc/45/11/68/570451168.db2.gz VDQAEAZJFNHOFH-UHFFFAOYSA-N 0 0 389.065 6.534 50 0 GKAARN O=C(c1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000005680439 570451356 /nfs/dbraw/zinc/45/13/56/570451356.db2.gz HVQSSESGWNUQTQ-XWZIEXQBSA-N 0 0 392.502 6.123 50 0 GKAARN O=C(c1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000005680453 570451555 /nfs/dbraw/zinc/45/15/55/570451555.db2.gz HVQSSESGWNUQTQ-LBVTXTQZSA-N 0 0 392.502 6.123 50 0 GKAARN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1c(OC)cccc1OC ZINC000000643698 570452466 /nfs/dbraw/zinc/45/24/66/570452466.db2.gz HQOONVZOGKECMN-OUKQBFOZSA-N 0 0 390.435 5.102 50 0 biogenic GKAARN O[C@@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C2CCCCCC2=N1 ZINC000005714974 570452618 /nfs/dbraw/zinc/45/26/18/570452618.db2.gz KVHOMNBSDVGMQH-JOCHJYFZSA-N 0 0 386.322 6.401 50 0 GKAARN Cc1ccc(C(=O)[C@H](Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)cc1C ZINC000002092940 570452844 /nfs/dbraw/zinc/45/28/44/570452844.db2.gz OEWXWTCAWFZETL-AREMUKBSSA-N 0 0 398.458 5.721 50 0 biogenic GKAARN CC[C@H](C)C(=O)N1c2cc(C)c(C)cc2-c2c(=S)ssc2C1(C)C ZINC000005719098 570453074 /nfs/dbraw/zinc/45/30/74/570453074.db2.gz FOIJLLCNPFCYAK-JTQLQIEISA-N 0 0 377.600 6.451 50 0 GKAARN O=C(Nc1ccccc1F)c1ccccc1SCc1cn2ccccc2n1 ZINC000028268584 570453810 /nfs/dbraw/zinc/45/38/10/570453810.db2.gz ISIAIPDJYMGEIR-UHFFFAOYSA-N 0 0 377.444 5.018 50 0 GKAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000028287378 570454134 /nfs/dbraw/zinc/45/41/34/570454134.db2.gz IGUJPOJQILEBLH-UHFFFAOYSA-N 0 0 375.493 6.267 50 0 GKAARN CCc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1 ZINC000028287340 570454184 /nfs/dbraw/zinc/45/41/84/570454184.db2.gz ULWFGXYAIFSTGD-UHFFFAOYSA-N 0 0 384.479 5.854 50 0 GKAARN Cc1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)cc1 ZINC000028287188 570454198 /nfs/dbraw/zinc/45/41/98/570454198.db2.gz UKEMYHFGRFLSNT-UHFFFAOYSA-N 0 0 392.462 5.872 50 0 GKAARN Cc1c(C(=O)Nc2cc(Cl)ccc2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000013011591 570454764 /nfs/dbraw/zinc/45/47/64/570454764.db2.gz FRJFVKINZHGXBG-UHFFFAOYSA-N 0 0 393.796 5.414 50 0 GKAARN Cc1cccc(C)c1OCC(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289654 570455718 /nfs/dbraw/zinc/45/57/18/570455718.db2.gz FFJUJRMKBCVHLG-UHFFFAOYSA-N 0 0 398.865 5.103 50 0 GKAARN O=C(Oc1ccccc1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000028290460 570455918 /nfs/dbraw/zinc/45/59/18/570455918.db2.gz QXNZTODKIUVMRH-UHFFFAOYSA-N 0 0 391.279 5.295 50 0 GKAARN CC(C)COc1ccc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 ZINC000028291112 570456192 /nfs/dbraw/zinc/45/61/92/570456192.db2.gz BOXFFHQJTAQNLH-UHFFFAOYSA-N 0 0 394.902 5.617 50 0 GKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2c1S[C@H](C)C2=O ZINC000006497648 570456848 /nfs/dbraw/zinc/45/68/48/570456848.db2.gz RBTSECSAXHUXSW-CQSZACIVSA-N 0 0 377.465 5.133 50 0 GKAARN CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1Cc1ccccc1-2 ZINC000022658069 570456900 /nfs/dbraw/zinc/45/69/00/570456900.db2.gz RMXFNVOWUCAMGB-UHFFFAOYSA-N 0 0 383.513 5.405 50 0 GKAARN Cc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)c1C ZINC000028292955 570457177 /nfs/dbraw/zinc/45/71/77/570457177.db2.gz CAKUCRHUUBPGSM-GOSISDBHSA-N 0 0 394.902 5.353 50 0 GKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 ZINC000028293704 570457534 /nfs/dbraw/zinc/45/75/34/570457534.db2.gz HGTJIUFCDIGRGV-UHFFFAOYSA-N 0 0 384.479 5.908 50 0 GKAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000035818800 570457627 /nfs/dbraw/zinc/45/76/27/570457627.db2.gz HSJCPWLCTHHXAR-QHCPKHFHSA-N 0 0 387.527 5.731 50 0 GKAARN CC(C)c1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000035818845 570457702 /nfs/dbraw/zinc/45/77/02/570457702.db2.gz NJGKBRUCGCIBLS-JOCHJYFZSA-N 0 0 377.463 5.388 50 0 GKAARN CCc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000028342485 570458097 /nfs/dbraw/zinc/45/80/97/570458097.db2.gz AGXLODDCXAIFAG-UHFFFAOYSA-N 0 0 377.469 5.383 50 0 GKAARN C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1nnc(-c2ccccc2)o1 ZINC000028367672 570458692 /nfs/dbraw/zinc/45/86/92/570458692.db2.gz ATNIFGUUSCINEG-HNNXBMFYSA-N 0 0 377.444 5.341 50 0 GKAARN CCCCCCC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O ZINC000035829192 570459044 /nfs/dbraw/zinc/45/90/44/570459044.db2.gz CCAMXWBILZPYHR-UHFFFAOYSA-N 0 0 391.511 5.601 50 0 GKAARN O=C(Nc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2s1)C1CCC1 ZINC000006507215 570460258 /nfs/dbraw/zinc/46/02/58/570460258.db2.gz XHAIUMQYLGOYLH-UHFFFAOYSA-N 0 0 383.420 5.177 50 0 GKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005895646 570460748 /nfs/dbraw/zinc/46/07/48/570460748.db2.gz ZEZVUNIZFSMZJG-UHFFFAOYSA-N 0 0 381.903 6.287 50 0 GKAARN CN(C(=O)CCC1CCCCC1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000006508771 570461501 /nfs/dbraw/zinc/46/15/01/570461501.db2.gz CNOFLMKXOCQLRS-JOCHJYFZSA-N 0 0 375.940 5.497 50 0 GKAARN CCOc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c2cccnc12 ZINC000028580817 570461648 /nfs/dbraw/zinc/46/16/48/570461648.db2.gz FEKBDBCJQBFBCL-UHFFFAOYSA-N 0 0 378.472 5.083 50 0 GKAARN O=C(CCSc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000005945023 570462568 /nfs/dbraw/zinc/46/25/68/570462568.db2.gz GXKRJDDJUBVKRR-UHFFFAOYSA-N 0 0 394.378 5.016 50 0 GKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc(F)cc3Cl)nc2cc1C ZINC000064439046 570462947 /nfs/dbraw/zinc/46/29/47/570462947.db2.gz GDQOTONKJRDPTR-UHFFFAOYSA-N 0 0 387.842 5.079 50 0 GKAARN CCCOc1ccc2ccccc2c1CN(C)Cc1nnc(-c2ccccc2)o1 ZINC000028721006 570463708 /nfs/dbraw/zinc/46/37/08/570463708.db2.gz MWAXWKFYRJFQIV-UHFFFAOYSA-N 0 0 387.483 5.311 50 0 GKAARN O=C(CCCc1nc2ccccc2s1)Nc1ccccc1N1CCCCC1 ZINC000032958750 570463717 /nfs/dbraw/zinc/46/37/17/570463717.db2.gz ZPVVRYRLTPGYAO-UHFFFAOYSA-N 0 0 379.529 5.248 50 0 GKAARN CC(C)(C)c1ccc(CSc2ncc(CO)n2Cc2cccc(F)c2)cc1 ZINC000035841265 570463859 /nfs/dbraw/zinc/46/38/59/570463859.db2.gz LNFWASHZELOUTR-UHFFFAOYSA-N 0 0 384.520 5.153 50 0 GKAARN CCOC(=O)c1sc2[nH]c(Cc3ccc(Cl)cc3)nc(=S)c2c1C ZINC000005996362 570464079 /nfs/dbraw/zinc/46/40/79/570464079.db2.gz RCWOVCVMWKZPJD-UHFFFAOYSA-N 0 0 378.906 5.083 50 0 GKAARN C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000028836361 570464672 /nfs/dbraw/zinc/46/46/72/570464672.db2.gz RPLIMPCCECLMAC-HNNXBMFYSA-N 0 0 392.480 5.006 50 0 GKAARN ClC(Cl)(Cl)C(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000003114388 570464694 /nfs/dbraw/zinc/46/46/94/570464694.db2.gz VMRFXCDHBYPIBC-UHFFFAOYSA-N 0 0 385.721 7.495 50 0 GKAARN CSc1ccc(NC(=O)NCc2ccc(-c3ccccc3)c3ccncc23)cc1 ZINC000035844622 570464816 /nfs/dbraw/zinc/46/48/16/570464816.db2.gz YDKRPAXTTZYRDJ-UHFFFAOYSA-N 0 0 399.519 5.945 50 0 GKAARN Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3)c3ccncc23)c(C)c1 ZINC000035844623 570464879 /nfs/dbraw/zinc/46/48/79/570464879.db2.gz IBLCGLPVRWJFNO-UHFFFAOYSA-N 0 0 381.479 5.840 50 0 GKAARN CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(OCC)c1OCC ZINC000006047791 570464814 /nfs/dbraw/zinc/46/48/14/570464814.db2.gz WUCYLINWHDKOPH-UHFFFAOYSA-N 0 0 379.456 5.288 50 0 GKAARN Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1[N+](=O)[O-] ZINC000002049964 570464885 /nfs/dbraw/zinc/46/48/85/570464885.db2.gz PEADKNYUOAYETH-MLPAPPSSSA-N 0 0 376.195 5.191 50 0 GKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000006048679 570465056 /nfs/dbraw/zinc/46/50/56/570465056.db2.gz INIPQXRBSIXCMO-URXFXBBRSA-N 0 0 388.442 5.467 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1ccccc1SCc1ccsc1 ZINC000028839256 570465319 /nfs/dbraw/zinc/46/53/19/570465319.db2.gz KVDPOHNZSADVMI-UHFFFAOYSA-N 0 0 382.535 5.902 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000006523085 570465790 /nfs/dbraw/zinc/46/57/90/570465790.db2.gz ZGGQWRHVRVKJFH-SXSPYAJSSA-N 0 0 394.511 5.514 50 0 GKAARN Cc1cc(C)cc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)c1 ZINC000006527788 570466168 /nfs/dbraw/zinc/46/61/68/570466168.db2.gz MZYBRECXCLLDBE-UHFFFAOYSA-N 0 0 393.940 5.399 50 0 GKAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)cc2s1 ZINC000028909444 570466429 /nfs/dbraw/zinc/46/64/29/570466429.db2.gz XEWDBVRVHSMVFO-SNVBAGLBSA-N 0 0 379.407 5.063 50 0 GKAARN c1coc(CNc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)c1 ZINC000028915900 570466432 /nfs/dbraw/zinc/46/64/32/570466432.db2.gz VTKGEKAAQBYYHK-UHFFFAOYSA-N 0 0 384.464 5.625 50 0 GKAARN C/C(=C/c1ccccc1)[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000002188289 570467441 /nfs/dbraw/zinc/46/74/41/570467441.db2.gz QRYIBCSUDTYKPZ-BDYUAGHOSA-N 0 0 393.530 6.880 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3cccc(F)c3)c2-n2cccc2)cc1 ZINC000064472564 570467408 /nfs/dbraw/zinc/46/74/08/570467408.db2.gz HMJYWGGBCBWCGC-UHFFFAOYSA-N 0 0 376.456 5.906 50 0 GKAARN Cc1cc(F)ccc1NC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472462 570467524 /nfs/dbraw/zinc/46/75/24/570467524.db2.gz HGOSGUYNWIBMES-UHFFFAOYSA-N 0 0 376.456 5.906 50 0 GKAARN c1ccc(Cn2c(SCc3nc4ccccc4s3)nnc2C2CC2)cc1 ZINC000006531899 570469270 /nfs/dbraw/zinc/46/92/70/570469270.db2.gz ZIBVIBDKBHJCBT-UHFFFAOYSA-N 0 0 378.526 5.106 50 0 GKAARN CCc1cccc2c(C(=O)[C@H](Sc3cccc[n+]3[O-])c3ccccc3)c[nH]c21 ZINC000005780145 570470674 /nfs/dbraw/zinc/47/06/74/570470674.db2.gz KVLIQWABDHKBTI-HSZRJFAPSA-N 0 0 388.492 5.080 50 0 GKAARN O=S(=O)(c1ccccc1)n1c2ccccc2nc1CCCC1CCCCC1 ZINC000035878347 570471095 /nfs/dbraw/zinc/47/10/95/570471095.db2.gz HSTRWONWTWHRDB-UHFFFAOYSA-N 0 0 382.529 5.176 50 0 GKAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCc1csc(-c2ccccc2)n1 ZINC000006535566 570471120 /nfs/dbraw/zinc/47/11/20/570471120.db2.gz SFJNAFOOSPENLW-UHFFFAOYSA-N 0 0 385.488 5.763 50 0 GKAARN O=C(CCc1ccc(-c2ccccc2Cl)o1)Nc1ccc(C(F)(F)F)cc1 ZINC000006541923 570472146 /nfs/dbraw/zinc/47/21/46/570472146.db2.gz BEIJDVXMADAPLM-UHFFFAOYSA-N 0 0 393.792 6.190 50 0 GKAARN FC(F)(F)c1ccnc(Sc2ncnc3sc(-c4ccccc4)cc32)n1 ZINC000029362433 570472520 /nfs/dbraw/zinc/47/25/20/570472520.db2.gz BFVIELDKAHXWBI-UHFFFAOYSA-N 0 0 390.415 5.318 50 0 GKAARN COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000006248793 570473944 /nfs/dbraw/zinc/47/39/44/570473944.db2.gz LXQMFEZSORFATG-UTKZUKDTSA-N 0 0 396.899 5.652 50 0 GKAARN C[C@@H]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCCCC4)c23)C1 ZINC000035892834 570474211 /nfs/dbraw/zinc/47/42/11/570474211.db2.gz OPKMPMJESNRZDA-MRXNPFEDSA-N 0 0 377.557 5.397 50 0 GKAARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1 ZINC000006260068 570474227 /nfs/dbraw/zinc/47/42/27/570474227.db2.gz GDYKTJFWVDHHSB-UHFFFAOYSA-N 0 0 389.474 5.117 50 0 GKAARN CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482766 570474873 /nfs/dbraw/zinc/47/48/73/570474873.db2.gz KEIDOFDUDVQIRM-MRXNPFEDSA-N 0 0 383.706 5.205 50 0 GKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2CSc2nc3ccccc3o2)C1 ZINC000029516833 570475431 /nfs/dbraw/zinc/47/54/31/570475431.db2.gz SVMVHPSQFJXCHJ-IYBDPMFKSA-N 0 0 380.513 5.238 50 0 GKAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006551355 570475612 /nfs/dbraw/zinc/47/56/12/570475612.db2.gz CIWDFQBQGWIBJZ-UHFFFAOYSA-N 0 0 380.391 5.156 50 0 GKAARN Cc1ccc(-c2csc(N(C(=O)C3CCC3)c3cc(C)ccc3C)n2)cc1 ZINC000006553331 570476319 /nfs/dbraw/zinc/47/63/19/570476319.db2.gz XULIBHTYZGXCAH-UHFFFAOYSA-N 0 0 376.525 6.200 50 0 GKAARN Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000006337054 570477465 /nfs/dbraw/zinc/47/74/65/570477465.db2.gz BCKRGHLZGVAVNY-PXNSSMCTSA-N 0 0 384.863 5.783 50 0 GKAARN O=C(CCC1CCCC1)Nc1nnc(SCc2c(F)cccc2F)s1 ZINC000035913011 570477808 /nfs/dbraw/zinc/47/78/08/570477808.db2.gz 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570478250 /nfs/dbraw/zinc/47/82/50/570478250.db2.gz JHKMMOYSZFJEFF-UHFFFAOYSA-N 0 0 398.940 6.183 50 0 GKAARN Cc1cccc(Nc2nnc(S[C@H](C)c3nc(-c4ccco4)no3)s2)c1C ZINC000029738186 570479121 /nfs/dbraw/zinc/47/91/21/570479121.db2.gz FOOSXHIHPDNSNW-GFCCVEGCSA-N 0 0 399.501 5.395 50 0 GKAARN CCOc1ccc(-n2c(SC(C)C)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000006570220 570480139 /nfs/dbraw/zinc/48/01/39/570480139.db2.gz ACFHFJWGYDSOEH-UHFFFAOYSA-N 0 0 378.501 5.315 50 0 GKAARN CCc1sc(C(=O)Nc2cc(C)nc3ccccc32)cc1Br ZINC000006570392 570480257 /nfs/dbraw/zinc/48/02/57/570480257.db2.gz KEAFEAYBDHCNDT-UHFFFAOYSA-N 0 0 375.291 5.182 50 0 GKAARN Cc1cc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)c2ccccc2n1 ZINC000000781755 570480385 /nfs/dbraw/zinc/48/03/85/570480385.db2.gz GTMAFYKNJLXCER-UHFFFAOYSA-N 0 0 396.446 5.065 50 0 GKAARN Cc1sc2nc(SCc3csc(-c4ccccc4)n3)n(C)c(=O)c2c1C ZINC000029810921 570480852 /nfs/dbraw/zinc/48/08/52/570480852.db2.gz MLKJDFCKGCMCAY-UHFFFAOYSA-N 0 0 399.566 5.028 50 0 GKAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[C@H](C)CC4)cc1Cl ZINC000006506592 570482405 /nfs/dbraw/zinc/48/24/05/570482405.db2.gz SCLXYNLGCKPRII-SECBINFHSA-N 0 0 376.934 5.196 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(Cl)cc3)c2c1 ZINC000064568373 570483227 /nfs/dbraw/zinc/48/32/27/570483227.db2.gz QRAZNHHRPHPOEE-UHFFFAOYSA-N 0 0 379.891 5.566 50 0 GKAARN COc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1OC ZINC000006570967 570483543 /nfs/dbraw/zinc/48/35/43/570483543.db2.gz JFOYDBBTDMZTDT-OAQYLSRUSA-N 0 0 381.522 6.123 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3ccc(F)cc3)c2c1 ZINC000064568466 570483644 /nfs/dbraw/zinc/48/36/44/570483644.db2.gz OIPNTRFKXTYKRK-INIZCTEOSA-N 0 0 377.463 5.298 50 0 GKAARN C[C@@H](c1ccc(F)cc1)N1Cn2c3ccccc3nc2N(Cc2ccccc2)C1 ZINC000006585902 570484049 /nfs/dbraw/zinc/48/40/49/570484049.db2.gz XYAUMWBUMOWQBO-SFHVURJKSA-N 0 0 386.474 5.174 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2Cl)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024258892 570484650 /nfs/dbraw/zinc/48/46/50/570484650.db2.gz 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ZINC000064578752 570486895 /nfs/dbraw/zinc/48/68/95/570486895.db2.gz LLPQESXCGGLGEG-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN Cc1cccc(CNC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)c1 ZINC000064578569 570487074 /nfs/dbraw/zinc/48/70/74/570487074.db2.gz BHFWYHVKOWAHBV-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN O=C(Nc1cccc2cccnc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006668128 570487234 /nfs/dbraw/zinc/48/72/34/570487234.db2.gz ZXGXULHBTIFMRW-UHFFFAOYSA-N 0 0 375.431 5.702 50 0 GKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000006680795 570487680 /nfs/dbraw/zinc/48/76/80/570487680.db2.gz JYOSOPUDSFTYRY-JTHBVZDNSA-N 0 0 380.919 6.098 50 0 GKAARN COc1ccc2cc(C(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000030316429 570487685 /nfs/dbraw/zinc/48/76/85/570487685.db2.gz DYMGVMNVDGXPFX-LLVKDONJSA-N 0 0 377.271 5.317 50 0 GKAARN CCOC(=O)c1c(NC(=O)C[C@@H](C)CC(C)(C)C)sc2c1Cc1ccccc1-2 ZINC000022663819 570489879 /nfs/dbraw/zinc/48/98/79/570489879.db2.gz SRDNMSKBRFCYRV-CQSZACIVSA-N 0 0 399.556 5.897 50 0 GKAARN O=C(NCc1ccccc1COc1ccccc1)c1ccccc1C(F)(F)F ZINC000030511169 570490033 /nfs/dbraw/zinc/49/00/33/570490033.db2.gz JHCCBNHEJJWZAY-UHFFFAOYSA-N 0 0 385.385 5.214 50 0 GKAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(=O)C1CC1 ZINC000035970772 570490069 /nfs/dbraw/zinc/49/00/69/570490069.db2.gz OEDVWULXMYPICZ-UHFFFAOYSA-N 0 0 389.499 5.122 50 0 GKAARN CC(C)(C)c1cc2c(s1)-c1[nH]c3ccc(Br)cc3c1CC(=O)N2 ZINC000035967774 570490105 /nfs/dbraw/zinc/49/01/05/570490105.db2.gz HYWLBDZEGMVSDD-UHFFFAOYSA-N 0 0 389.318 5.451 50 0 GKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000035977362 570490903 /nfs/dbraw/zinc/49/09/03/570490903.db2.gz PMXXNTMTDSPVQS-UHFFFAOYSA-N 0 0 395.478 5.166 50 0 GKAARN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccccc3C)sc2c1 ZINC000006601377 570491014 /nfs/dbraw/zinc/49/10/14/570491014.db2.gz ZUPXHLUHDPCVTJ-UHFFFAOYSA-N 0 0 383.542 5.074 50 0 GKAARN CCc1cccc2c(C(=O)CSc3nnc(-c4cccc(Cl)c4)o3)c[nH]c21 ZINC000005170449 570491182 /nfs/dbraw/zinc/49/11/82/570491182.db2.gz ZQLSRNPTOOLCBD-UHFFFAOYSA-N 0 0 397.887 5.409 50 0 GKAARN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)CCCC2 ZINC000005170723 570491184 /nfs/dbraw/zinc/49/11/84/570491184.db2.gz DQAVVRMBEQCQHV-UHFFFAOYSA-N 0 0 384.888 5.244 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccc2ccccc21 ZINC000005172336 570491500 /nfs/dbraw/zinc/49/15/00/570491500.db2.gz RCPHSWWGMAMIGD-UHFFFAOYSA-N 0 0 396.471 6.074 50 0 GKAARN CCCCCC(=O)Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 ZINC000006739521 570491536 /nfs/dbraw/zinc/49/15/36/570491536.db2.gz KPSROUUAXFTBJI-UHFFFAOYSA-N 0 0 390.361 5.656 50 0 GKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc2ccccc2c1 ZINC000005172375 570491635 /nfs/dbraw/zinc/49/16/35/570491635.db2.gz XBWYVDPILLICCM-UHFFFAOYSA-N 0 0 398.849 6.554 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C[C@@H](C)c2ccccc2)o1 ZINC000006602246 570492210 /nfs/dbraw/zinc/49/22/10/570492210.db2.gz UMHCZYDBEFNGTG-CQSZACIVSA-N 0 0 391.496 5.181 50 0 GKAARN COc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Cl)cc3)c1-2 ZINC000016676197 570493324 /nfs/dbraw/zinc/49/33/24/570493324.db2.gz BEMZIDFQFGXJNI-UZYVYHOESA-N 0 0 388.945 6.032 50 0 GKAARN CCCCN(CCCC)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000005175746 570493405 /nfs/dbraw/zinc/49/34/05/570493405.db2.gz RDKYICBBNKHUKO-UHFFFAOYSA-N 0 0 395.619 5.184 50 0 GKAARN CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(OC)cc3)c1-2 ZINC000016676031 570493431 /nfs/dbraw/zinc/49/34/31/570493431.db2.gz QFGDBVKXRFCDQB-XDOYNYLZSA-N 0 0 398.553 5.777 50 0 GKAARN Cc1c(NC(=O)/C=C/c2ccco2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000005177279 570494155 /nfs/dbraw/zinc/49/41/55/570494155.db2.gz ZFEZLSZOUGMAEX-CSKARUKUSA-N 0 0 378.815 5.702 50 0 GKAARN COc1cc2c(cc1NC(=O)COc1ccc(F)cc1Cl)oc1ccccc12 ZINC000006602922 570494281 /nfs/dbraw/zinc/49/42/81/570494281.db2.gz BYJMDWDKFDYMBU-UHFFFAOYSA-N 0 0 399.805 5.405 50 0 GKAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 ZINC000006603021 570494294 /nfs/dbraw/zinc/49/42/94/570494294.db2.gz HPIICHORCKJZBG-DENIHFKCSA-N 0 0 390.508 5.098 50 0 GKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3 ZINC000005180272 570495160 /nfs/dbraw/zinc/49/51/60/570495160.db2.gz QTWWNFVBBWBSBR-UHFFFAOYSA-N 0 0 395.252 5.766 50 0 GKAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OC ZINC000064604464 570495645 /nfs/dbraw/zinc/49/56/45/570495645.db2.gz BVCPYKDCPMGHGH-KRWDZBQOSA-N 0 0 393.508 5.605 50 0 GKAARN Cc1cc(F)ccc1N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000006824977 570495903 /nfs/dbraw/zinc/49/59/03/570495903.db2.gz CCHQQQZBSBTALW-HXUWFJFHSA-N 0 0 393.849 6.039 50 0 GKAARN CCN(C(=O)Nc1ccc(C)cc1Cl)c1nc(-c2ccc(C)cc2)cs1 ZINC000006826655 570496211 /nfs/dbraw/zinc/49/62/11/570496211.db2.gz WLTBVWRNAXJWLO-UHFFFAOYSA-N 0 0 385.920 6.139 50 0 GKAARN CCn1c(=S)n(CN(CCc2ccccc2)Cc2cccs2)nc1C1CC1 ZINC000072293262 570496207 /nfs/dbraw/zinc/49/62/07/570496207.db2.gz SBHKFKXVVMEIIE-UHFFFAOYSA-N 0 0 398.601 5.075 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(C)cc4)cn3)c2)cc1 ZINC000064605978 570496548 /nfs/dbraw/zinc/49/65/48/570496548.db2.gz QCKAPYOULVVKAV-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1 ZINC000064605881 570496651 /nfs/dbraw/zinc/49/66/51/570496651.db2.gz SWSKCMHCDGJCRV-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1oc2c(cc3c(-c4ccccc4)cc(=S)oc3c2C)c1-c1ccccc1 ZINC000030822717 570496898 /nfs/dbraw/zinc/49/68/98/570496898.db2.gz AWBMELMYHASEKW-UHFFFAOYSA-N 0 0 382.484 7.859 50 0 GKAARN CC(C)[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1nc2ccccc2[nH]1 ZINC000006605892 570496983 /nfs/dbraw/zinc/49/69/83/570496983.db2.gz DUVJRZLARULVCV-HSZRJFAPSA-N 0 0 399.494 5.269 50 0 GKAARN Cc1cccc(C(=O)N[C@H](C)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000030835938 570497242 /nfs/dbraw/zinc/49/72/42/570497242.db2.gz CKVPZQPULGCROY-OAQYLSRUSA-N 0 0 391.514 6.820 50 0 GKAARN Cc1ccc2cccc(SCC(=O)Nc3ccccc3C(F)(F)F)c2n1 ZINC000030834360 570497467 /nfs/dbraw/zinc/49/74/67/570497467.db2.gz UDPBPJNFDLQMLO-UHFFFAOYSA-N 0 0 376.403 5.293 50 0 GKAARN 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CCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1 ZINC000006704424 570544393 /nfs/dbraw/zinc/54/43/93/570544393.db2.gz PQFWTPQIWFXKKT-HSZRJFAPSA-N 0 0 396.556 5.683 50 0 GKAARN CCCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000006704204 570544568 /nfs/dbraw/zinc/54/45/68/570544568.db2.gz FKYASMOYACAXRD-IBGZPJMESA-N 0 0 394.515 5.014 50 0 biogenic GKAARN CCn1cc([C@@H](CC(=O)N2CCCCC2)c2cccc(Cl)c2)c2ccccc21 ZINC000006705030 570544885 /nfs/dbraw/zinc/54/48/85/570544885.db2.gz SCQSZJHBEMOUOX-NRFANRHFSA-N 0 0 394.946 5.849 50 0 GKAARN C[C@H](CC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)CC(C)(C)C ZINC000006705237 570545282 /nfs/dbraw/zinc/54/52/82/570545282.db2.gz RPODRBPWXGRWLW-GFCCVEGCSA-N 0 0 381.542 5.370 50 0 GKAARN Cc1cccc(-c2nc3ccccc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1 ZINC000009015699 570546862 /nfs/dbraw/zinc/54/68/62/570546862.db2.gz VAUJUBZDJPZPPG-UHFFFAOYSA-N 0 0 396.494 5.185 50 0 GKAARN CCn1cc([C@@H](CC(=O)NCC(C)C)c2cccc(Cl)c2)c2ccccc21 ZINC000006712404 570547661 /nfs/dbraw/zinc/54/76/61/570547661.db2.gz GZXSPZRBTRLJJT-FQEVSTJZSA-N 0 0 382.935 5.609 50 0 GKAARN O=C(COc1ccc(C2SCCCS2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000005279084 570548342 /nfs/dbraw/zinc/54/83/42/570548342.db2.gz UEGXIMWZPSZXGB-HXUWFJFHSA-N 0 0 399.581 5.128 50 0 GKAARN O=C(c1oc2ccccc2c1C[S@](=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000005278747 570548376 /nfs/dbraw/zinc/54/83/76/570548376.db2.gz UOYPBXOTQQEHBA-HHHXNRCGSA-N 0 0 394.879 5.625 50 0 GKAARN CCC(=O)Nc1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000006720217 570548526 /nfs/dbraw/zinc/54/85/26/570548526.db2.gz OXNVOPDUJWPBTP-UHFFFAOYSA-N 0 0 396.512 6.229 50 0 GKAARN Cc1c(NC(=O)c2ccc3ccccc3c2)cccc1-c1nc2ccccc2[nH]1 ZINC000006720456 570548564 /nfs/dbraw/zinc/54/85/64/570548564.db2.gz FQKMPMMVVNDERQ-UHFFFAOYSA-N 0 0 377.447 5.944 50 0 GKAARN Fc1ccccc1-c1nc2ccccc2c(NCCc2ccccc2Cl)n1 ZINC000006720640 570548797 /nfs/dbraw/zinc/54/87/97/570548797.db2.gz VEAYEEHQKCWNJX-UHFFFAOYSA-N 0 0 377.850 5.744 50 0 GKAARN CCSc1ccccc1C(=O)Nc1nnc(C[C@H](C)c2ccccc2)s1 ZINC000009095499 570548957 /nfs/dbraw/zinc/54/89/57/570548957.db2.gz QBGVARYTXLHNHY-AWEZNQCLSA-N 0 0 383.542 5.249 50 0 GKAARN Cc1cccc(-c2nc3ccccc3c(N3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000006720560 570549100 /nfs/dbraw/zinc/54/91/00/570549100.db2.gz OBRCEIRRFGDREA-UHFFFAOYSA-N 0 0 398.485 5.071 50 0 GKAARN Clc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)c(Cl)c1 ZINC000005296115 570549517 /nfs/dbraw/zinc/54/95/17/570549517.db2.gz PJTMHNZKNWIKNP-UHFFFAOYSA-N 0 0 387.295 5.415 50 0 GKAARN Cc1nn2c(c1-c1ccccc1F)N[C@H](Nc1ccc(F)c(Cl)c1)S2 ZINC000035148204 570549792 /nfs/dbraw/zinc/54/97/92/570549792.db2.gz HSBYZNOJNAMNAP-KRWDZBQOSA-N 0 0 378.835 5.108 50 0 GKAARN CC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000006720831 570550026 /nfs/dbraw/zinc/55/00/26/570550026.db2.gz TXVWDLPHQJOTJB-HSZRJFAPSA-N 0 0 392.861 6.098 50 0 GKAARN CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 ZINC000009170099 570550177 /nfs/dbraw/zinc/55/01/77/570550177.db2.gz URTCMFOKCOPUNH-CQSZACIVSA-N 0 0 382.489 5.275 50 0 GKAARN Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C ZINC000009170075 570550477 /nfs/dbraw/zinc/55/04/77/570550477.db2.gz PKUMGHOUAGUDQS-UHFFFAOYSA-N 0 0 388.880 5.031 50 0 GKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3cc(Cl)ccc3C)sc1C(C)(C)N2 ZINC000009190036 570551654 /nfs/dbraw/zinc/55/16/54/570551654.db2.gz BOSSNUMQYJNDAA-UHFFFAOYSA-N 0 0 386.973 6.866 50 0 GKAARN CC1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2ccc(Cl)cc2)CC1 ZINC000006724604 570551683 /nfs/dbraw/zinc/55/16/83/570551683.db2.gz JNWGELCLHIRRPU-NRFANRHFSA-N 0 0 394.946 5.612 50 0 GKAARN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccco3)sc2c1 ZINC000005299719 570551777 /nfs/dbraw/zinc/55/17/77/570551777.db2.gz CACQAPIFVJHAJL-UHFFFAOYSA-N 0 0 378.453 5.135 50 0 GKAARN Cc1cc(C)c(Cn2ccnc2CN(C(=O)c2cccc(F)c2)C(C)C)c(C)c1 ZINC000006723815 570552077 /nfs/dbraw/zinc/55/20/77/570552077.db2.gz WJRCQNPLWDZFLK-UHFFFAOYSA-N 0 0 393.506 5.047 50 0 GKAARN c1ccc(CNc2ccc(Cc3ccc(NCc4ccccc4)cc3)cc2)cc1 ZINC000002944571 570552340 /nfs/dbraw/zinc/55/23/40/570552340.db2.gz LAAHVRSMWAXJMP-UHFFFAOYSA-N 0 0 378.519 6.502 50 0 GKAARN CC[C@H](C)NC(=O)C[C@H](c1cn(CC)c2ccccc12)c1cccc(Cl)c1 ZINC000006724853 570552552 /nfs/dbraw/zinc/55/25/52/570552552.db2.gz SVYMUTLNCLHTLR-JXFKEZNVSA-N 0 0 382.935 5.751 50 0 GKAARN Cc1ccc([C@H](CC(=O)NCCc2ccccc2)c2cn(C)c3ccccc23)cc1 ZINC000006724879 570552581 /nfs/dbraw/zinc/55/25/81/570552581.db2.gz ZABJRXDIWGJGJY-DEOSSOPVSA-N 0 0 396.534 5.368 50 0 GKAARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)no2)cc1 ZINC000061997151 570553338 /nfs/dbraw/zinc/55/33/38/570553338.db2.gz FEDSNYWSANIUOV-UHFFFAOYSA-N 0 0 391.254 5.688 50 0 GKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1cccs1 ZINC000005323987 570553380 /nfs/dbraw/zinc/55/33/80/570553380.db2.gz WZMRTFAZDGAZIY-UHFFFAOYSA-N 0 0 397.908 5.896 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1Cl ZINC000061997125 570553531 /nfs/dbraw/zinc/55/35/31/570553531.db2.gz JRUUOFWXLHWNHV-UHFFFAOYSA-N 0 0 386.835 5.043 50 0 GKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)no2)cc1 ZINC000061997110 570553573 /nfs/dbraw/zinc/55/35/73/570553573.db2.gz UNDKNWSSTKIELU-UHFFFAOYSA-N 0 0 386.451 5.926 50 0 GKAARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccco1 ZINC000005324649 570553965 /nfs/dbraw/zinc/55/39/65/570553965.db2.gz CRRXXRJZKYNXTM-UHFFFAOYSA-N 0 0 381.840 5.427 50 0 GKAARN Cc1cc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)ccc1Br ZINC000035511474 570554111 /nfs/dbraw/zinc/55/41/11/570554111.db2.gz QRZYREQXFKYXAE-INIZCTEOSA-N 0 0 392.297 5.238 50 0 GKAARN COc1ccc(OC)c(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)c1 ZINC000035561650 570554361 /nfs/dbraw/zinc/55/43/61/570554361.db2.gz ZRAUMYWTDCURCC-IBGZPJMESA-N 0 0 388.895 5.506 50 0 GKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)cc1 ZINC000035561698 570554369 /nfs/dbraw/zinc/55/43/69/570554369.db2.gz GVQCEOJEVJMBCO-QFIPXVFZSA-N 0 0 394.515 5.250 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)cc1 ZINC000035561680 570554398 /nfs/dbraw/zinc/55/43/98/570554398.db2.gz CLVAOFNMNSCANV-NRFANRHFSA-N 0 0 380.488 5.321 50 0 GKAARN COC(=O)c1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)cc1 ZINC000035561741 570554481 /nfs/dbraw/zinc/55/44/81/570554481.db2.gz RBHWFAVPYKDLFA-LJQANCHMSA-N 0 0 386.879 5.276 50 0 GKAARN COc1cc(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)cc(OC)c1 ZINC000035561760 570554539 /nfs/dbraw/zinc/55/45/39/570554539.db2.gz QIVBQBPGUVXIFG-FQEVSTJZSA-N 0 0 388.895 5.506 50 0 GKAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CC[C@H](C)C3)c1 ZINC000006728228 570554985 /nfs/dbraw/zinc/55/49/85/570554985.db2.gz PFCOAYPJMHLFRR-INIZCTEOSA-N 0 0 396.556 5.060 50 0 GKAARN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)N3CCc4ccccc43)ccc1S2 ZINC000006728549 570555006 /nfs/dbraw/zinc/55/50/06/570555006.db2.gz HMGFARNNUMGWES-UHFFFAOYSA-N 0 0 384.504 5.803 50 0 GKAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)C(C)C ZINC000036161149 570555737 /nfs/dbraw/zinc/55/57/37/570555737.db2.gz NVJAOJAQBWUWSE-IBGZPJMESA-N 0 0 397.563 5.361 50 0 GKAARN CCC(=O)N(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)[C@@H](C)CC ZINC000036161169 570555839 /nfs/dbraw/zinc/55/58/39/570555839.db2.gz WHFNWOZWHAHMTK-SFHVURJKSA-N 0 0 383.536 5.115 50 0 GKAARN CC(C)c1cc(-c2nc3cnccn3c2Nc2ccccc2)cc(C(C)C)c1O ZINC000035615729 570555879 /nfs/dbraw/zinc/55/58/79/570555879.db2.gz HQIRFVMVJMSDCW-UHFFFAOYSA-N 0 0 386.499 6.092 50 0 GKAARN Cc1c(Cl)cccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn21 ZINC000035616166 570556285 /nfs/dbraw/zinc/55/62/85/570556285.db2.gz MDYLRZFVGGZFME-UHFFFAOYSA-N 0 0 377.879 5.168 50 0 GKAARN CCOc1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(C)cn32)cc1 ZINC000035616474 570556319 /nfs/dbraw/zinc/55/63/19/570556319.db2.gz OISXCQLJXNJDHV-UHFFFAOYSA-N 0 0 389.455 5.166 50 0 GKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C[S@@](=O)Cc1ccc(Cl)s1 ZINC000064828912 570556311 /nfs/dbraw/zinc/55/63/11/570556311.db2.gz MRXVDRMJPQZZQT-XMMPIXPASA-N 0 0 399.368 5.057 50 0 GKAARN Cc1ccc([C@H](CC(=O)N[C@H](C)c2ccccc2)c2c[nH]c3ccccc32)c(C)c1 ZINC000006733709 570557633 /nfs/dbraw/zinc/55/76/33/570557633.db2.gz YHVUHOPMJJMZPR-YKSBVNFPSA-N 0 0 396.534 6.184 50 0 GKAARN CC(C)Cc1ccc([C@@H](C)c2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1 ZINC000009420642 570557593 /nfs/dbraw/zinc/55/75/93/570557593.db2.gz QLLQUUJANFLNTI-CQSZACIVSA-N 0 0 396.947 5.857 50 0 GKAARN O=C(N=c1[nH]c2ccccc2s1)c1sc2cc(Cl)ccc2c1Cl ZINC000009411174 570557624 /nfs/dbraw/zinc/55/76/24/570557624.db2.gz LRPYCQNDFHDUJA-UHFFFAOYSA-N 0 0 379.293 5.492 50 0 GKAARN Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1 ZINC000035859742 570558374 /nfs/dbraw/zinc/55/83/74/570558374.db2.gz AZEXWHKOMMASPA-UHFFFAOYSA-N 0 0 392.462 5.276 50 0 in-vivo GKAARN COc1cccc(CSc2nnc(NC(=O)C[C@H](C)CC(C)(C)C)s2)c1 ZINC000006734250 570558557 /nfs/dbraw/zinc/55/85/57/570558557.db2.gz XELZDBFLXYNNKT-ZDUSSCGKSA-N 0 0 393.578 5.240 50 0 GKAARN CCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2CC)c1 ZINC000006734067 570558569 /nfs/dbraw/zinc/55/85/69/570558569.db2.gz QAQPSICAELTEIC-JOCHJYFZSA-N 0 0 382.529 5.156 50 0 GKAARN CCc1cccc2c([C@H](CC(=O)NCCC(C)C)c3ccc(C)cc3)c[nH]c21 ZINC000006736055 570558637 /nfs/dbraw/zinc/55/86/37/570558637.db2.gz AEXUBOAHPQHGBC-JOCHJYFZSA-N 0 0 376.544 5.723 50 0 GKAARN CCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)ccc2F)c1 ZINC000006736235 570558650 /nfs/dbraw/zinc/55/86/50/570558650.db2.gz DGIUHKKDHJTRSK-OAQYLSRUSA-N 0 0 386.492 5.041 50 0 GKAARN CCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000006734679 570558929 /nfs/dbraw/zinc/55/89/29/570558929.db2.gz GJKBNXFZSPFERM-JOCHJYFZSA-N 0 0 382.529 5.327 50 0 GKAARN CCN(CC)c1nc(C2CCCCC2)nc2c1cnn2-c1ccccc1Cl ZINC000036000339 570559417 /nfs/dbraw/zinc/55/94/17/570559417.db2.gz UBHYLKOEAAVIKT-UHFFFAOYSA-N 0 0 383.927 5.363 50 0 GKAARN O=C(C1CCCC1)N(Cc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000036004544 570559511 /nfs/dbraw/zinc/55/95/11/570559511.db2.gz AWCSXKZOGHDBSX-UHFFFAOYSA-N 0 0 378.447 5.200 50 0 GKAARN Cc1cccc(NC(=O)N2[C@@H](c3ccccc3)[C@@H](C)C(=O)C[C@H]2c2ccccc2)c1 ZINC000036049214 570560081 /nfs/dbraw/zinc/56/00/81/570560081.db2.gz BUHGFSNVBGDUNT-BFMBIBTESA-N 0 0 398.506 5.920 50 0 GKAARN Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc2c1 ZINC000005357097 570560390 /nfs/dbraw/zinc/56/03/90/570560390.db2.gz RNHJMXFIRRHTNQ-INIZCTEOSA-N 0 0 387.508 5.658 50 0 GKAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000005358299 570560682 /nfs/dbraw/zinc/56/06/82/570560682.db2.gz MAOAQIHXYPZHRT-UHFFFAOYSA-N 0 0 398.557 5.196 50 0 GKAARN Cn1ccnc1S[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000005358397 570560773 /nfs/dbraw/zinc/56/07/73/570560773.db2.gz BWFWMAYDBRDCNQ-INIZCTEOSA-N 0 0 392.311 5.199 50 0 GKAARN Cc1ccc(CN[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000009683260 570560820 /nfs/dbraw/zinc/56/08/20/570560820.db2.gz BZDDXKGAOYDWFX-NRFANRHFSA-N 0 0 389.886 5.578 50 0 GKAARN Cc1ccc(-c2nnn3c2nc(NC[C@@H](C)c2ccccc2)c2ccccc23)cc1 ZINC000006738889 570560950 /nfs/dbraw/zinc/56/09/50/570560950.db2.gz VHPBRACTONQOIH-GOSISDBHSA-N 0 0 393.494 5.469 50 0 GKAARN Cc1cccc(-c2c(NC(=O)c3ccc(F)cc3)sc3ccccc3c2=O)c1 ZINC000005346017 570561170 /nfs/dbraw/zinc/56/11/70/570561170.db2.gz 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O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000003314112 570602697 /nfs/dbraw/zinc/60/26/97/570602697.db2.gz LUUGLZREWCBMHV-UHFFFAOYSA-N 0 0 381.422 5.240 50 0 GKAARN CCCC[C@@H](CC)CNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc21 ZINC000005467078 570603044 /nfs/dbraw/zinc/60/30/44/570603044.db2.gz FBWKKAVSISMHSY-GOSISDBHSA-N 0 0 390.527 5.857 50 0 GKAARN CCCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000005468929 570603263 /nfs/dbraw/zinc/60/32/63/570603263.db2.gz SCCRENOIEPPUJT-RDJZCZTQSA-N 0 0 399.556 5.572 50 0 GKAARN O=C(c1ccccc1)[C@H](Cc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000003327258 570603837 /nfs/dbraw/zinc/60/38/37/570603837.db2.gz NYLOMHPXTVRAAX-SFHVURJKSA-N 0 0 377.896 6.159 50 0 GKAARN Cc1c([C@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)cnn1-c1ccccc1 ZINC000012072348 570603940 /nfs/dbraw/zinc/60/39/40/570603940.db2.gz RBTGTTMFEHDTAK-INIZCTEOSA-N 0 0 387.439 5.057 50 0 GKAARN Cn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003357862 570604341 /nfs/dbraw/zinc/60/43/41/570604341.db2.gz ITPCAWJXHPTEIP-UHFFFAOYSA-N 0 0 391.927 6.095 50 0 GKAARN Clc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1Cl ZINC000005460769 570604388 /nfs/dbraw/zinc/60/43/88/570604388.db2.gz CISVVJYBEHISQM-QUCCMNQESA-N 0 0 394.305 6.489 50 0 GKAARN C[C@@H]1CCC[C@H]([NH2+]Cc2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])[C@@H]1C ZINC000006803551 570605675 /nfs/dbraw/zinc/60/56/75/570605675.db2.gz RDJPCJXDSFJBMZ-HMFYCAOWSA-N 0 0 390.527 5.302 50 0 GKAARN Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000003345003 570605715 /nfs/dbraw/zinc/60/57/15/570605715.db2.gz CUTQTBPINGXESX-UHFFFAOYSA-N 0 0 398.817 5.003 50 0 GKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3cccs3)c2C(=O)[O-])cc1 ZINC000006803323 570605727 /nfs/dbraw/zinc/60/57/27/570605727.db2.gz GUADXORHJVHOCQ-UHFFFAOYSA-N 0 0 390.508 5.048 50 0 GKAARN C[C@@H]1CCC[C@@H]([NH2+]Cc2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])[C@@H]1C ZINC000006803556 570605791 /nfs/dbraw/zinc/60/57/91/570605791.db2.gz RDJPCJXDSFJBMZ-JBYIUTFZSA-N 0 0 390.527 5.302 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2cccs2)o1 ZINC000005474850 570605885 /nfs/dbraw/zinc/60/58/85/570605885.db2.gz VYYOENWPCXYUNA-QMMMGPOBSA-N 0 0 385.670 5.354 50 0 GKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000003409621 570606715 /nfs/dbraw/zinc/60/67/15/570606715.db2.gz UZLRUICJRQKFGX-UHFFFAOYSA-N 0 0 396.437 6.087 50 0 GKAARN Cc1c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000006806718 570607534 /nfs/dbraw/zinc/60/75/34/570607534.db2.gz ANNDXOSXZXWQNF-ULYRPOKDSA-N 0 0 382.548 5.074 50 0 GKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)c(Cl)c1)CO3 ZINC000005477697 570607794 /nfs/dbraw/zinc/60/77/94/570607794.db2.gz WHSQMUQQUMAMFP-UHFFFAOYSA-N 0 0 383.875 5.372 50 0 GKAARN Cc1ccc(-n2ncc3c2ncnc3SCc2c(F)cccc2Cl)cc1 ZINC000005478414 570608593 /nfs/dbraw/zinc/60/85/93/570608593.db2.gz UVPBUTWYBBKSRK-UHFFFAOYSA-N 0 0 384.867 5.209 50 0 GKAARN CC1=C(C)N2C(=NC3=C(CCC/C3=C/c3ccccc3)[C@@H]2c2ccccc2)S1 ZINC000005478674 570608667 /nfs/dbraw/zinc/60/86/67/570608667.db2.gz XYHWTJFMSWQIKR-RTWFUWSXSA-N 0 0 384.548 6.919 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)c1 ZINC000006808555 570608954 /nfs/dbraw/zinc/60/89/54/570608954.db2.gz WDNPBDFJGIKNFE-UHFFFAOYSA-N 0 0 385.941 6.543 50 0 GKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccccc2)cc1 ZINC000003376699 570609195 /nfs/dbraw/zinc/60/91/95/570609195.db2.gz SBHBRHOYWGIVEQ-UHFFFAOYSA-N 0 0 388.467 5.029 50 0 GKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4cc(C)cc(C)c4)oc3ccc2O1 ZINC000006808106 570609551 /nfs/dbraw/zinc/60/95/51/570609551.db2.gz CXJNXFWIZHTISH-DEOSSOPVSA-N 0 0 391.467 5.744 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4cccc(C)c4C)oc3ccc2O1 ZINC000006808067 570609586 /nfs/dbraw/zinc/60/95/86/570609586.db2.gz AXONNLVFGCCQSC-XMMPIXPASA-N 0 0 391.467 5.744 50 0 GKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccc(F)cc4)oc3ccc2O1 ZINC000006808076 570609593 /nfs/dbraw/zinc/60/95/93/570609593.db2.gz DABLZIPCVPCCRR-QFIPXVFZSA-N 0 0 381.403 5.267 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccccc4C)oc3ccc2O1 ZINC000006808085 570609688 /nfs/dbraw/zinc/60/96/88/570609688.db2.gz ZYFROVXZKPMCIU-HSZRJFAPSA-N 0 0 377.440 5.436 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccc(F)cc4)oc3ccc2O1 ZINC000006808075 570609792 /nfs/dbraw/zinc/60/97/92/570609792.db2.gz DABLZIPCVPCCRR-JOCHJYFZSA-N 0 0 381.403 5.267 50 0 GKAARN C[C@H](NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1 ZINC000006808551 570609822 /nfs/dbraw/zinc/60/98/22/570609822.db2.gz KFFOUGMAOAVGHS-LBPRGKRZSA-N 0 0 385.941 6.165 50 0 GKAARN CCc1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(CC)O4)c1 ZINC000006808112 570609832 /nfs/dbraw/zinc/60/98/32/570609832.db2.gz OPILGPSUANWTDD-DEOSSOPVSA-N 0 0 391.467 5.690 50 0 GKAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccc(C)c(C)c4)oc3ccc2O1 ZINC000006808100 570609881 /nfs/dbraw/zinc/60/98/81/570609881.db2.gz GPVJSQMJQXDNSO-DEOSSOPVSA-N 0 0 391.467 5.744 50 0 GKAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000006808497 570610220 /nfs/dbraw/zinc/61/02/20/570610220.db2.gz FPASQFDJZHAPTM-VXGBXAGGSA-N 0 0 377.962 5.792 50 0 GKAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)c1ccccc1F ZINC000006808520 570610254 /nfs/dbraw/zinc/61/02/54/570610254.db2.gz JZYPZBKOCGWGMN-UHFFFAOYSA-N 0 0 389.904 6.090 50 0 GKAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)Nc3ccc(C)c(F)c3)c(C)c12 ZINC000006809059 570610968 /nfs/dbraw/zinc/61/09/68/570610968.db2.gz PYFOXQRPUHHJQV-UHFFFAOYSA-N 0 0 396.510 5.130 50 0 GKAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)Nc3ccc(C)cc3C)c(C)c12 ZINC000006809036 570611054 /nfs/dbraw/zinc/61/10/54/570611054.db2.gz KAQHGABZGJCYLZ-UHFFFAOYSA-N 0 0 392.547 5.300 50 0 GKAARN CSc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3ccccc3o2)cc1 ZINC000005483648 570611800 /nfs/dbraw/zinc/61/18/00/570611800.db2.gz REBVKKVSZYQFQE-LYBHJNIJSA-N 0 0 387.460 5.783 50 0 GKAARN O=C(Oc1cc2sc(=O)oc2c(-c2ccccc2)c1)c1cccc(Cl)c1 ZINC000006809658 570612005 /nfs/dbraw/zinc/61/20/05/570612005.db2.gz MFHYHMBRYYIKJF-UHFFFAOYSA-N 0 0 382.824 5.394 50 0 GKAARN Cc1ccc(Cn2ncc3ccc(C(=O)N[C@H]4CCCc5ccccc54)cc32)cc1 ZINC000064955938 570612301 /nfs/dbraw/zinc/61/23/01/570612301.db2.gz WOIWGUIUMMNZFM-DEOSSOPVSA-N 0 0 395.506 5.200 50 0 GKAARN Cc1ccc(Cn2ncc3ccc(C(=O)N[C@H](C)c4ccc(C)cc4)cc32)cc1 ZINC000064955956 570612574 /nfs/dbraw/zinc/61/25/74/570612574.db2.gz JLTBRBDYRYTXDZ-LJQANCHMSA-N 0 0 383.495 5.192 50 0 GKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](OCc2cccc(Cl)c2)C1 ZINC000036314856 570613535 /nfs/dbraw/zinc/61/35/35/570613535.db2.gz LDWIATUGMYJGIV-MRXNPFEDSA-N 0 0 398.717 5.468 50 0 GKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](OCc2ccccc2Cl)C1 ZINC000036315015 570613631 /nfs/dbraw/zinc/61/36/31/570613631.db2.gz LWIGCTOPNGKODW-HNNXBMFYSA-N 0 0 398.717 5.468 50 0 GKAARN Cc1ccc(C(=O)Oc2cc3sc(=O)oc3c(-c3cccc(C)c3)c2)cc1 ZINC000006809707 570613679 /nfs/dbraw/zinc/61/36/79/570613679.db2.gz SDPIUBNVHJGLQH-UHFFFAOYSA-N 0 0 376.433 5.358 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1coc3cc(C)ccc13)CCCC2 ZINC000006809926 570614123 /nfs/dbraw/zinc/61/41/23/570614123.db2.gz FNTYZNJRBXHERK-UHFFFAOYSA-N 0 0 397.496 5.039 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000005496755 570614293 /nfs/dbraw/zinc/61/42/93/570614293.db2.gz QSTMJMVZBDHJPA-UHFFFAOYSA-N 0 0 378.497 5.550 50 0 GKAARN O=C(COc1ccccc1Cl)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000006810651 570614828 /nfs/dbraw/zinc/61/48/28/570614828.db2.gz FZWIXPOSWHRHMC-UHFFFAOYSA-N 0 0 390.266 5.194 50 0 GKAARN Cc1cccc(C)c1OCC(=O)N(Cc1ccco1)Cc1ccccc1Cl ZINC000006810623 570614841 /nfs/dbraw/zinc/61/48/41/570614841.db2.gz CLMPUHROWUQHQR-UHFFFAOYSA-N 0 0 383.875 5.158 50 0 GKAARN Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2Cl)c1C ZINC000006810632 570614975 /nfs/dbraw/zinc/61/49/75/570614975.db2.gz ISIIFCHRNXQSFT-UHFFFAOYSA-N 0 0 383.875 5.158 50 0 GKAARN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000041091569 570615115 /nfs/dbraw/zinc/61/51/15/570615115.db2.gz SAYVYXIJPIJFCU-IZZDOVSWSA-N 0 0 375.815 5.195 50 0 GKAARN CCCCC1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000005501921 570615180 /nfs/dbraw/zinc/61/51/80/570615180.db2.gz VDNMZFWOQUFHJM-UHFFFAOYSA-N 0 0 397.946 6.506 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000006810695 570615283 /nfs/dbraw/zinc/61/52/83/570615283.db2.gz JWBRSFDVIFEUBY-UHFFFAOYSA-N 0 0 393.870 6.139 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccco1)Cc1cccc(Cl)c1 ZINC000006810703 570615316 /nfs/dbraw/zinc/61/53/16/570615316.db2.gz GATAIAOIBKLCBO-UHFFFAOYSA-N 0 0 379.843 5.830 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000169685689 570615488 /nfs/dbraw/zinc/61/54/88/570615488.db2.gz QTOQMWRUPNSESH-AVRDEDQJSA-N 0 0 396.393 5.199 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3cccs3)C[C@@H]21 ZINC000169685712 570615497 /nfs/dbraw/zinc/61/54/97/570615497.db2.gz AWTTYLHOPGXPID-AVRDEDQJSA-N 0 0 394.471 5.528 50 0 GKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033003950 570617821 /nfs/dbraw/zinc/61/78/21/570617821.db2.gz IGQFMPDXFMRHFX-HXUWFJFHSA-N 0 0 388.492 5.759 50 0 GKAARN COCc1ccc(CN2CC[C@@H](c3cccc(F)c3)Sc3ccccc32)o1 ZINC000012152291 570617983 /nfs/dbraw/zinc/61/79/83/570617983.db2.gz YHXMDNMZBLRROU-NRFANRHFSA-N 0 0 383.488 5.809 50 0 GKAARN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000033004018 570618082 /nfs/dbraw/zinc/61/80/82/570618082.db2.gz OEBJMRJQEHNPAA-UHFFFAOYSA-N 0 0 396.805 5.305 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000033004004 570618116 /nfs/dbraw/zinc/61/81/16/570618116.db2.gz IMIOCWDXGAGBAG-UHFFFAOYSA-N 0 0 390.458 5.789 50 0 GKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000033003974 570618171 /nfs/dbraw/zinc/61/81/71/570618171.db2.gz GLEJMCYCUHUITB-NRFANRHFSA-N 0 0 386.451 5.599 50 0 GKAARN COCc1ccc(CN2CC[C@H](c3cccc(F)c3)Sc3ccccc32)o1 ZINC000012152292 570618222 /nfs/dbraw/zinc/61/82/22/570618222.db2.gz YHXMDNMZBLRROU-OAQYLSRUSA-N 0 0 383.488 5.809 50 0 GKAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000033004050 570618303 /nfs/dbraw/zinc/61/83/03/570618303.db2.gz UWOYLHUOQROFSX-AWEZNQCLSA-N 0 0 392.842 5.554 50 0 GKAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3CC)cs2)c1C ZINC000033004535 570618627 /nfs/dbraw/zinc/61/86/27/570618627.db2.gz WCODSNUYGSEFRI-UHFFFAOYSA-N 0 0 396.560 5.032 50 0 GKAARN Cc1cccc(NC(=O)C[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)c1 ZINC000005501297 570619013 /nfs/dbraw/zinc/61/90/13/570619013.db2.gz BPBQWKOFTPVWGJ-DEOSSOPVSA-N 0 0 391.486 6.082 50 0 GKAARN COc1ccc(-c2cn3c(C(C)=O)c(-c4ccc(C)cc4)c4c3n2CCCC4)cc1 ZINC000005500872 570619123 /nfs/dbraw/zinc/61/91/23/570619123.db2.gz PQIPBZFBIJYHQV-UHFFFAOYSA-N 0 0 398.506 5.931 50 0 GKAARN Nc1c2c(nc3c1CCc1ccccc1-3)oc(-c1ccccc1)c2-c1ccccc1 ZINC000004154951 570619357 /nfs/dbraw/zinc/61/93/57/570619357.db2.gz LAWDRYUABXSXAN-UHFFFAOYSA-N 0 0 388.470 6.510 50 0 GKAARN CCCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000004591590 570621770 /nfs/dbraw/zinc/62/17/70/570621770.db2.gz ZODMVKLHPHQCTJ-UHFFFAOYSA-N 0 0 397.478 5.580 50 0 GKAARN CCCCOc1ccc(C2=NC(=CNc3ccc4ccccc4c3)C(=O)O2)cc1 ZINC000004590618 570621811 /nfs/dbraw/zinc/62/18/11/570621811.db2.gz JIXCSNIDGXYOBO-JWGURIENSA-N 0 0 386.451 5.276 50 0 GKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NC4CCCCC4)cc3)ncn2)c1 ZINC000033010658 570622103 /nfs/dbraw/zinc/62/21/03/570622103.db2.gz LDCUEWMDOIWJJI-UHFFFAOYSA-N 0 0 386.499 5.258 50 0 GKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)Nc4cccc(C)c4)c3)ncn2)cc1 ZINC000033010559 570622158 /nfs/dbraw/zinc/62/21/58/570622158.db2.gz AFEWQDIDJPGRLJ-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192530 570622259 /nfs/dbraw/zinc/62/22/59/570622259.db2.gz GHLJPSFJLPAPMK-UNMCSNQZSA-N 0 0 395.289 6.236 50 0 GKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccc(F)cc4)c3)ncn2)c1 ZINC000033010468 570622360 /nfs/dbraw/zinc/62/23/60/570622360.db2.gz JVKQMIJKBLMUDV-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN O=C(NC1CCCCC1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010600 570622369 /nfs/dbraw/zinc/62/23/69/570622369.db2.gz VDRQWNCYCLQHRW-UHFFFAOYSA-N 0 0 390.462 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COc1ccc(C(=O)OCc2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 ZINC000005526898 570625303 /nfs/dbraw/zinc/62/53/03/570625303.db2.gz GYUZSOWAQWLNJV-UHFFFAOYSA-N 0 0 378.211 5.014 50 0 GKAARN CC(C)c1noc(-c2cccc(OCC(=O)Nc3ccccc3C(C)C)c2)n1 ZINC000033012547 570627129 /nfs/dbraw/zinc/62/71/29/570627129.db2.gz HXIUJIYSFOAANJ-UHFFFAOYSA-N 0 0 379.460 5.001 50 0 GKAARN FC(F)(Cl)c1nnc2n1N=C(c1ccccc1)/C(=C/c1cccs1)S2 ZINC000006829551 570628164 /nfs/dbraw/zinc/62/81/64/570628164.db2.gz SWROKIWOMTWVQR-XFXZXTDPSA-N 0 0 394.859 5.027 50 0 GKAARN Fc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000036347474 570628442 /nfs/dbraw/zinc/62/84/42/570628442.db2.gz BYZSNNUYUUTXNF-OAQYLSRUSA-N 0 0 389.301 5.929 50 0 GKAARN Cc1ccccc1Nc1c(-c2cccc(Br)c2)nc2cnccn21 ZINC000004597401 570629078 /nfs/dbraw/zinc/62/90/78/570629078.db2.gz RCQKKVSHVOQLCL-UHFFFAOYSA-N 0 0 379.261 5.211 50 0 GKAARN O=C(/C=C/c1cccc2ccccc12)Nc1c(F)cc(F)cc1Br ZINC000006829881 570629183 /nfs/dbraw/zinc/62/91/83/570629183.db2.gz JDTVQMDFLWGBNH-CMDGGOBGSA-N 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CC(C)c1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccccc2F)n1 ZINC000036349513 570631370 /nfs/dbraw/zinc/63/13/70/570631370.db2.gz PTVOVRHIPDWIKG-UHFFFAOYSA-N 0 0 398.459 5.552 50 0 GKAARN COc1cccc(Oc2cc(C(C)C)nc(SCc3ccccc3F)n2)c1 ZINC000036349509 570631377 /nfs/dbraw/zinc/63/13/77/570631377.db2.gz ZSLHFCRXQDGHFE-UHFFFAOYSA-N 0 0 384.476 5.832 50 0 GKAARN Cc1cc(C(c2ccccc2O)c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O ZINC000044069244 570631662 /nfs/dbraw/zinc/63/16/62/570631662.db2.gz CLAQXRONBVEWMK-UHFFFAOYSA-N 0 0 376.496 5.834 50 0 GKAARN Cc1cc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2n1 ZINC000004766279 570632561 /nfs/dbraw/zinc/63/25/61/570632561.db2.gz ZAPYHJLAGBGVEP-UHFFFAOYSA-N 0 0 396.446 5.153 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000004600023 570632986 /nfs/dbraw/zinc/63/29/86/570632986.db2.gz MYBXWDJNOIPNIJ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN CC(C)c1cc(Oc2ccc(F)cc2)nc(SCc2cccc(Cl)c2)n1 ZINC000036349661 570633466 /nfs/dbraw/zinc/63/34/66/570633466.db2.gz 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/nfs/dbraw/zinc/63/35/74/570633574.db2.gz CBZOGEAPXXCQOZ-UHFFFAOYSA-N 0 0 386.467 6.271 50 0 GKAARN O=C(Nc1ccccc1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000005556426 570633582 /nfs/dbraw/zinc/63/35/82/570633582.db2.gz QJLATPWVNJXHES-UHFFFAOYSA-N 0 0 375.815 5.309 50 0 GKAARN CCc1cc(Oc2ccccc2C(C)C)nc(SCc2cccc(Cl)c2)n1 ZINC000036349998 570633824 /nfs/dbraw/zinc/63/38/24/570633824.db2.gz YDBNOQKXILPUSM-UHFFFAOYSA-N 0 0 398.959 6.900 50 0 GKAARN CCc1cc(Oc2ccccc2C)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000036350066 570633848 /nfs/dbraw/zinc/63/38/48/570633848.db2.gz MVFSYYGEBLJAJR-UHFFFAOYSA-N 0 0 392.568 6.730 50 0 GKAARN CCc1cc(Oc2ccc(Cl)cc2)nc(SCc2ccccc2Cl)n1 ZINC000036350123 570633886 /nfs/dbraw/zinc/63/38/86/570633886.db2.gz XRPCZAZKQNVQDD-UHFFFAOYSA-N 0 0 391.323 6.430 50 0 GKAARN CCc1cc(Oc2ccc(C)cc2OC)nc(SCc2cccc(F)c2)n1 ZINC000036350090 570633938 /nfs/dbraw/zinc/63/39/38/570633938.db2.gz NTFWKCNEUOUYGJ-UHFFFAOYSA-N 0 0 384.476 5.580 50 0 GKAARN CCc1cc(Oc2ccccc2OC)nc(SCc2cccc(OC)c2)n1 ZINC000036350208 570633980 /nfs/dbraw/zinc/63/39/80/570633980.db2.gz ADKILEWABYPYEJ-UHFFFAOYSA-N 0 0 382.485 5.141 50 0 GKAARN O=C(NCCCc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000520608281 570634083 /nfs/dbraw/zinc/63/40/83/570634083.db2.gz AQBZFCKAVYUNJN-UHFFFAOYSA-N 0 0 386.455 5.110 50 0 GKAARN O=C(c1cc2ccccc2s1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000012298504 570634964 /nfs/dbraw/zinc/63/49/64/570634964.db2.gz QMRDKPVFAGOZSG-DEOSSOPVSA-N 0 0 393.552 5.139 50 0 GKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(Cl)c3)c2n1 ZINC000006832149 570636228 /nfs/dbraw/zinc/63/62/28/570636228.db2.gz UATLOWTWUOMJMA-UHFFFAOYSA-N 0 0 395.673 5.521 50 0 GKAARN CCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)c1 ZINC000006833638 570636369 /nfs/dbraw/zinc/63/63/69/570636369.db2.gz WIIIOTDOESAMHH-OAQYLSRUSA-N 0 0 382.529 5.111 50 0 GKAARN Cc1ccc(Sc2ncccc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000006834095 570636862 /nfs/dbraw/zinc/63/68/62/570636862.db2.gz UVOKKJZLRNPKJJ-SFHVURJKSA-N 0 0 376.525 5.292 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000006835785 570637825 /nfs/dbraw/zinc/63/78/25/570637825.db2.gz FTHZPCIKAGCKDY-QHCPKHFHSA-N 0 0 388.492 5.026 50 0 GKAARN C[C@@H](CC(=O)Nc1nnc(SCc2c(F)cccc2F)s1)CC(C)(C)C ZINC000006834964 570637857 /nfs/dbraw/zinc/63/78/57/570637857.db2.gz CTNNKNCFOCJOSG-NSHDSACASA-N 0 0 399.532 5.510 50 0 GKAARN CC(C)C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000006835639 570637878 /nfs/dbraw/zinc/63/78/78/570637878.db2.gz XMSROUQZQQVMFV-QFIPXVFZSA-N 0 0 382.529 5.183 50 0 GKAARN CCc1cccc2c([C@H](CC(=O)NCC(C)C)c3ccccc3OC)c[nH]c21 ZINC000006834962 570637898 /nfs/dbraw/zinc/63/78/98/570637898.db2.gz FOXHBSCBYXGOJL-HXUWFJFHSA-N 0 0 378.516 5.033 50 0 GKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000006835052 570637953 /nfs/dbraw/zinc/63/79/53/570637953.db2.gz AIGGHLPDRYRFEB-HSZRJFAPSA-N 0 0 396.556 5.683 50 0 GKAARN CCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)(C)C)cc2)cc1 ZINC000006838113 570638769 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O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(Br)o1 ZINC000033036499 570672413 /nfs/dbraw/zinc/67/24/13/570672413.db2.gz DNLXGWPITGNAKT-UHFFFAOYSA-N 0 0 399.219 5.582 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033036537 570672429 /nfs/dbraw/zinc/67/24/29/570672429.db2.gz TXSPGSPLYIIVFA-UHFFFAOYSA-N 0 0 394.833 5.645 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(Br)cc1 ZINC000033036444 570672478 /nfs/dbraw/zinc/67/24/78/570672478.db2.gz WCUYVGVXCSHQNV-UHFFFAOYSA-N 0 0 391.268 5.850 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1 ZINC000033036507 570672486 /nfs/dbraw/zinc/67/24/86/570672486.db2.gz ZQRSNWGJLPKYKF-UHFFFAOYSA-N 0 0 390.414 5.244 50 0 GKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)NC4CCCCCC4)s3)no2)cc1 ZINC000065062918 570674308 /nfs/dbraw/zinc/67/43/08/570674308.db2.gz NQIQGNGDEGMSCI-UHFFFAOYSA-N 0 0 381.501 5.226 50 0 GKAARN O=C(NCc1ccccc1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063223 570674430 /nfs/dbraw/zinc/67/44/30/570674430.db2.gz 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CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1 ZINC000004341968 570676919 /nfs/dbraw/zinc/67/69/19/570676919.db2.gz HPUDXNPBDTYHRR-UHFFFAOYSA-N 0 0 390.464 5.561 50 0 GKAARN CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000036393041 570677438 /nfs/dbraw/zinc/67/74/38/570677438.db2.gz GHRLWOCVQZHPOY-HNNXBMFYSA-N 0 0 389.590 5.611 50 0 GKAARN Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1C ZINC000032578500 570677491 /nfs/dbraw/zinc/67/74/91/570677491.db2.gz WYKQPDMITZZCMD-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000072331963 570678092 /nfs/dbraw/zinc/67/80/92/570678092.db2.gz GOOCMEXEDWAIMY-UHFFFAOYSA-N 0 0 390.512 5.021 50 0 GKAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(C(C)C)c3)c2c1 ZINC000072331976 570678232 /nfs/dbraw/zinc/67/82/32/570678232.db2.gz BNLYGKYIEAODQZ-UHFFFAOYSA-N 0 0 390.512 5.274 50 0 GKAARN CCC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@@H]1c1ccc2nccnc2c1 ZINC000036393644 570678274 /nfs/dbraw/zinc/67/82/74/570678274.db2.gz 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570679095 /nfs/dbraw/zinc/67/90/95/570679095.db2.gz USLSXYMHQJWEDC-UHFFFAOYSA-N 0 0 379.872 5.620 50 0 GKAARN Fc1ccccc1-c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1 ZINC000005646853 570679218 /nfs/dbraw/zinc/67/92/18/570679218.db2.gz LECNJLLXSLPALY-UHFFFAOYSA-N 0 0 380.422 6.810 50 0 GKAARN CC[C@](C)(c1ccccc1)[C@](C)(CC)OC(=O)c1ccc(Br)cc1 ZINC000003132607 570680807 /nfs/dbraw/zinc/68/08/07/570680807.db2.gz WMSRUBHZRHNWHT-RTWAWAEBSA-N 0 0 389.333 6.143 50 0 GKAARN CC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc3cc(Cl)ccc3c12 ZINC000003131455 570680808 /nfs/dbraw/zinc/68/08/08/570680808.db2.gz KVPLQSNMULSLJI-UHFFFAOYSA-N 0 0 383.234 5.228 50 0 GKAARN O=C(CCC1CCCC1)N1CCC(c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000065076808 570680867 /nfs/dbraw/zinc/68/08/67/570680867.db2.gz JPUGOHNRCXJMDL-UHFFFAOYSA-N 0 0 387.911 5.066 50 0 GKAARN O=C(NCCCOC1CCCCC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000036397470 570681699 /nfs/dbraw/zinc/68/16/99/570681699.db2.gz BWSDHAGWZQFSSB-OALUTQOASA-N 0 0 398.572 5.202 50 0 GKAARN Cc1cccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)C(C)C)c(Cl)nc12 ZINC000008774917 570681823 /nfs/dbraw/zinc/68/18/23/570681823.db2.gz IIZJXLHGTGPDMM-KRWDZBQOSA-N 0 0 381.863 5.123 50 0 GKAARN O=C(CSc1nnc(-c2ccco2)o1)c1cc2c(c3c1CCCC3)CCCC2 ZINC000055104129 570682825 /nfs/dbraw/zinc/68/28/25/570682825.db2.gz CLWJTUJVMVIYDO-UHFFFAOYSA-N 0 0 394.496 5.062 50 0 GKAARN CC(C)(C)c1ccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000055104561 570683024 /nfs/dbraw/zinc/68/30/24/570683024.db2.gz NCPVEZRBHNDCIV-UHFFFAOYSA-N 0 0 378.519 7.127 50 0 GKAARN O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 ZINC000008854395 570683135 /nfs/dbraw/zinc/68/31/35/570683135.db2.gz JBBPSFIFXIMLQJ-UHFFFAOYSA-N 0 0 392.908 5.409 50 0 GKAARN Cc1cc(C(=O)Nc2nc3c(cc(C)cc3C)s2)sc1-c1ccccc1 ZINC000526052365 570683183 /nfs/dbraw/zinc/68/31/83/570683183.db2.gz FUNPWXPPCYRPEC-UHFFFAOYSA-N 0 0 378.522 6.202 50 0 GKAARN COc1ccccc1-c1nc(CN(C)Cc2ccccc2C(F)(F)F)c(C)o1 ZINC000055109270 570683322 /nfs/dbraw/zinc/68/33/22/570683322.db2.gz 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ZINC000005794430 570691118 /nfs/dbraw/zinc/69/11/18/570691118.db2.gz VPVKJRUXVXULOW-UHFFFAOYSA-N 0 0 389.524 5.062 50 0 GKAARN Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)c1 ZINC000005794424 570691138 /nfs/dbraw/zinc/69/11/38/570691138.db2.gz BRMKUNQSYCVAKR-ZDUSSCGKSA-N 0 0 387.892 5.126 50 0 GKAARN CCc1ccccc1NC(=O)[C@@H](CC)Sc1nncn2c3ccsc3cc12 ZINC000006893802 570691782 /nfs/dbraw/zinc/69/17/82/570691782.db2.gz MDBYPMWHKPFOHP-QGZVFWFLSA-N 0 0 396.541 5.016 50 0 GKAARN CCc1nnc(SCc2ccc(F)cc2Cl)c2cc3sccc3n21 ZINC000006893903 570693356 /nfs/dbraw/zinc/69/33/56/570693356.db2.gz NBMMHGULHKLFTD-UHFFFAOYSA-N 0 0 377.897 5.591 50 0 GKAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1SCc1ccccc1 ZINC000012633149 570693877 /nfs/dbraw/zinc/69/38/77/570693877.db2.gz QBWMWZRNMITJDT-UHFFFAOYSA-N 0 0 387.508 5.276 50 0 GKAARN CCc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000006899765 570694485 /nfs/dbraw/zinc/69/44/85/570694485.db2.gz FXRAKTCTFJYRDJ-UHFFFAOYSA-N 0 0 398.506 5.240 50 0 GKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3C)c2C(=O)[O-])cc1 ZINC000006899724 570694534 /nfs/dbraw/zinc/69/45/34/570694534.db2.gz SZMZVBMXMXEKSR-UHFFFAOYSA-N 0 0 398.506 5.294 50 0 GKAARN Cc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3C)c2C(=O)[O-])c1 ZINC000006899711 570694560 /nfs/dbraw/zinc/69/45/60/570694560.db2.gz LSRDTMQFSCICQT-UHFFFAOYSA-N 0 0 398.506 5.294 50 0 GKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccccn3)cc12 ZINC000006899655 570694648 /nfs/dbraw/zinc/69/46/48/570694648.db2.gz RFTVWASDWRXFDW-UHFFFAOYSA-N 0 0 388.858 5.588 50 0 GKAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCc2ccccc2)c1C(=O)[O-] ZINC000006899728 570694657 /nfs/dbraw/zinc/69/46/57/570694657.db2.gz IHSUTUOBDZYBHJ-UHFFFAOYSA-N 0 0 398.506 5.029 50 0 GKAARN Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3ccco3)cc12 ZINC000006899649 570694664 /nfs/dbraw/zinc/69/46/64/570694664.db2.gz XYOAEMLLHDYBBR-UHFFFAOYSA-N 0 0 377.831 5.786 50 0 GKAARN CC(=O)c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1 ZINC000012651097 570694973 /nfs/dbraw/zinc/69/49/73/570694973.db2.gz HSUMLJTXYCMQJM-UHFFFAOYSA-N 0 0 378.475 5.688 50 0 GKAARN Cc1cccc(-c2nnc(SCc3ccccc3F)n2-c2ccccc2C)c1 ZINC000004356419 570695045 /nfs/dbraw/zinc/69/50/45/570695045.db2.gz YJOAGEUWOVNATO-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN Cc1cccc(-c2nnc(SCc3ccc(C)c(C)c3)n2-c2ccccc2)c1 ZINC000004356294 570695192 /nfs/dbraw/zinc/69/51/92/570695192.db2.gz HEKANHWXULLUEF-UHFFFAOYSA-N 0 0 385.536 6.152 50 0 GKAARN CCOP(=O)(OCC)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C)C ZINC000055439791 570695436 /nfs/dbraw/zinc/69/54/36/570695436.db2.gz BGCGCVNIFCOSJW-IBGZPJMESA-N 0 0 399.512 5.814 50 0 biogenic GKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000012651772 570695515 /nfs/dbraw/zinc/69/55/15/570695515.db2.gz KJLGUJZSBRFUKX-UHFFFAOYSA-N 0 0 397.478 5.649 50 0 GKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1F ZINC000012658897 570695871 /nfs/dbraw/zinc/69/58/71/570695871.db2.gz RCGGTEVLQCWKRR-BZZOAKBMSA-N 0 0 390.483 5.645 50 0 GKAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1cccc2ccccc21 ZINC000012654105 570695880 /nfs/dbraw/zinc/69/58/80/570695880.db2.gz WNIDPUANDFNGHR-UHFFFAOYSA-N 0 0 386.455 5.252 50 0 GKAARN Fc1cc(F)cc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000004356640 570696380 /nfs/dbraw/zinc/69/63/80/570696380.db2.gz PKRSCSKCKDQVOU-UHFFFAOYSA-N 0 0 397.425 5.644 50 0 GKAARN Fc1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1 ZINC000004356786 570696479 /nfs/dbraw/zinc/69/64/79/570696479.db2.gz TZZCVJFQRFURPG-UHFFFAOYSA-N 0 0 397.425 5.644 50 0 GKAARN O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1cccc(F)c1 ZINC000006902020 570696958 /nfs/dbraw/zinc/69/69/58/570696958.db2.gz IAPGSNKBVATHAK-UHFFFAOYSA-N 0 0 397.519 5.420 50 0 GKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1C ZINC000006902027 570697368 /nfs/dbraw/zinc/69/73/68/570697368.db2.gz SLTGPDDORCNKIA-UHFFFAOYSA-N 0 0 393.556 5.508 50 0 GKAARN Cc1cc(C)cc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)c1 ZINC000006902030 570697508 /nfs/dbraw/zinc/69/75/08/570697508.db2.gz VQGUACCNGOMQQX-UHFFFAOYSA-N 0 0 393.556 5.508 50 0 GKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1OC(F)F ZINC000006902447 570697512 /nfs/dbraw/zinc/69/75/12/570697512.db2.gz YUJVONWZLIJOQK-UHFFFAOYSA-N 0 0 396.187 5.357 50 0 GKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 ZINC000004357967 570697698 /nfs/dbraw/zinc/69/76/98/570697698.db2.gz JIIYBHVBRSFDDD-UHFFFAOYSA-N 0 0 385.536 5.767 50 0 GKAARN Fc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2F)c(F)c1 ZINC000004358234 570698153 /nfs/dbraw/zinc/69/81/53/570698153.db2.gz SQLPOBZLQIQAGO-UHFFFAOYSA-N 0 0 387.386 5.237 50 0 GKAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)Nc1ccc2ccccc2c1 ZINC000033048149 570698402 /nfs/dbraw/zinc/69/84/02/570698402.db2.gz HEYBWZHFXKEORG-UHFFFAOYSA-N 0 0 398.388 5.030 50 0 GKAARN Cc1ccc2[nH]c(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)nc2c1 ZINC000006908883 570698813 /nfs/dbraw/zinc/69/88/13/570698813.db2.gz QUGXWAPEQZYGSJ-UHFFFAOYSA-N 0 0 380.300 5.217 50 0 GKAARN CCOC(=O)c1[nH]c2c(c1C)-c1nc3ccccc3c(-c3ccccc3)c1CC2 ZINC000006910610 570699154 /nfs/dbraw/zinc/69/91/54/570699154.db2.gz XQGMXVFOSODDGM-UHFFFAOYSA-N 0 0 382.463 5.481 50 0 GKAARN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000012701983 570699129 /nfs/dbraw/zinc/69/91/29/570699129.db2.gz XDWZBKZXNIIVAC-MRXNPFEDSA-N 0 0 389.948 5.154 50 0 GKAARN O[C@@H](c1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000004622924 570699298 /nfs/dbraw/zinc/69/92/98/570699298.db2.gz PUZNUZOGVMMRDA-HXUWFJFHSA-N 0 0 383.278 5.473 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2cccc(Cl)c2C)n1 ZINC000065114405 570699420 /nfs/dbraw/zinc/69/94/20/570699420.db2.gz ARYDWYCCLGIDBD-UHFFFAOYSA-N 0 0 394.906 5.270 50 0 GKAARN Cc1ccc(C)c(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000065114418 570699521 /nfs/dbraw/zinc/69/95/21/570699521.db2.gz LQICWVJAVDMVRZ-UHFFFAOYSA-N 0 0 388.515 5.315 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3cccc(C)c3)cc12 ZINC000006913100 570699890 /nfs/dbraw/zinc/69/98/90/570699890.db2.gz AFOZGXNPMRFVPR-UHFFFAOYSA-N 0 0 382.507 5.545 50 0 aggregator GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2ccc(C)c(C)c2)n1 ZINC000065114557 570699920 /nfs/dbraw/zinc/69/99/20/570699920.db2.gz GCSCUWXPPBSLLX-HNNXBMFYSA-N 0 0 388.515 5.171 50 0 GKAARN O=C(NCc1ccccc1Cl)c1ccc(N2CCCc3ccccc32)s1 ZINC000006913760 570700388 /nfs/dbraw/zinc/70/03/88/570700388.db2.gz ZPPNNPWHPVXNHY-UHFFFAOYSA-N 0 0 382.916 5.416 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2cccc(C)c2)o1 ZINC000006913685 570700452 /nfs/dbraw/zinc/70/04/52/570700452.db2.gz KOYIGAWWNLOQKY-UHFFFAOYSA-N 0 0 386.495 5.446 50 0 aggregator GKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2ccc3ccccc32)s1 ZINC000006913904 570700917 /nfs/dbraw/zinc/70/09/17/570700917.db2.gz MMOHHRDCFFPPHZ-UHFFFAOYSA-N 0 0 380.900 5.318 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000017191548 570701471 /nfs/dbraw/zinc/70/14/71/570701471.db2.gz NRGLYARFRDYVHD-UHFFFAOYSA-N 0 0 390.895 6.383 50 0 GKAARN Cc1ccc(-c2nc(CN3CCC[C@H](COc4ccccc4C)C3)c(C)o2)o1 ZINC000012709740 570702275 /nfs/dbraw/zinc/70/22/75/570702275.db2.gz JVCWWAMDDGVJOH-IBGZPJMESA-N 0 0 380.488 5.151 50 0 GKAARN OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CCCC1 ZINC000057381105 570702233 /nfs/dbraw/zinc/70/22/33/570702233.db2.gz UTSUYWZQSWIKHP-XMMPIXPASA-N 0 0 386.539 5.296 50 0 biogenic GKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000017297243 570702933 /nfs/dbraw/zinc/70/29/33/570702933.db2.gz ZCIYZLBIYKAKKW-UHFFFAOYSA-N 0 0 395.480 5.586 50 0 GKAARN Cc1ccc(Cl)cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000006916644 570703040 /nfs/dbraw/zinc/70/30/40/570703040.db2.gz OYNUFOGTLPROJV-HXUWFJFHSA-N 0 0 393.849 6.039 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000017338985 570704790 /nfs/dbraw/zinc/70/47/90/570704790.db2.gz XLGQOJLZGPJPOJ-UHFFFAOYSA-N 0 0 384.932 6.077 50 0 GKAARN Cc1ccc(Cn2c3ccccc3n3c2nc(-c2cccc(Cl)c2)cc3=O)cc1 ZINC000072333654 570704970 /nfs/dbraw/zinc/70/49/70/570704970.db2.gz NDKARIRRLPATHL-UHFFFAOYSA-N 0 0 399.881 5.326 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1NC(=O)c1ccco1 ZINC000017360987 570704969 /nfs/dbraw/zinc/70/49/69/570704969.db2.gz WATVKIDYCDKPQQ-UHFFFAOYSA-N 0 0 392.455 5.096 50 0 GKAARN CNc1c(Br)cc(/C=C2/C=Cc3ccccc32)cc1Br ZINC000017427237 570704998 /nfs/dbraw/zinc/70/49/98/570704998.db2.gz KPNSXKFHLWKXNV-JYRVWZFOSA-N 0 0 391.106 5.821 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(N3C[C@H](C)Sc4ccccc43)s2)o1 ZINC000006914922 570705432 /nfs/dbraw/zinc/70/54/32/570705432.db2.gz PNAQUKDDLJLXGZ-AWEZNQCLSA-N 0 0 384.526 5.212 50 0 GKAARN O=C(Cc1ccccc1)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000000885788 570705558 /nfs/dbraw/zinc/70/55/58/570705558.db2.gz ZQMPMLDXCRSQTC-UHFFFAOYSA-N 0 0 379.463 5.110 50 0 GKAARN O=C(Cc1noc2ccccc12)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000017589174 570705625 /nfs/dbraw/zinc/70/56/25/570705625.db2.gz WAPJYWVVGAUVML-UHFFFAOYSA-N 0 0 399.475 5.210 50 0 GKAARN Cn1ccnc1[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000017590154 570705968 /nfs/dbraw/zinc/70/59/68/570705968.db2.gz GODPWXAZVLKRAS-QFIPXVFZSA-N 0 0 391.478 5.232 50 0 GKAARN O=C(Nc1ccc(F)cc1Cl)c1nn(-c2ccc(F)cc2)c2ccccc12 ZINC000065130613 570706232 /nfs/dbraw/zinc/70/62/32/570706232.db2.gz RCNLCGGTMHQPIA-UHFFFAOYSA-N 0 0 383.785 5.209 50 0 GKAARN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1cccs1 ZINC000058006670 570706941 /nfs/dbraw/zinc/70/69/41/570706941.db2.gz RSQGCALLWPSXGO-FQEVSTJZSA-N 0 0 387.957 5.541 50 0 GKAARN Cc1cccc(OCC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1C ZINC000032622992 570707150 /nfs/dbraw/zinc/70/71/50/570707150.db2.gz RSSJHFWGGZULCZ-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000032622717 570707151 /nfs/dbraw/zinc/70/71/51/570707151.db2.gz FMZBXTKDFGTQHM-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN CC(C)C(=O)Nc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000025052542 570707355 /nfs/dbraw/zinc/70/73/55/570707355.db2.gz ZKSWJDUHWKMIFC-UHFFFAOYSA-N 0 0 386.245 5.021 50 0 GKAARN O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1cccc(Cl)c1 ZINC000032623247 570707534 /nfs/dbraw/zinc/70/75/34/570707534.db2.gz QCSYAVUWVIMXCF-UHFFFAOYSA-N 0 0 393.805 5.448 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCCC3=CCCCC3)C2)cc1 ZINC000065136192 570707689 /nfs/dbraw/zinc/70/76/89/570707689.db2.gz UQIMYUPRIKDQPZ-NRFANRHFSA-N 0 0 397.563 5.026 50 0 GKAARN Clc1ccc2oc(-c3cccnc3Oc3ccc(Cl)cc3Cl)nc2c1 ZINC000006925884 570707750 /nfs/dbraw/zinc/70/77/50/570707750.db2.gz ZPZFGFNNGQKEAY-UHFFFAOYSA-N 0 0 391.641 6.642 50 0 GKAARN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000000678980 570708906 /nfs/dbraw/zinc/70/89/06/570708906.db2.gz HVINBTKUCICHSC-UHFFFAOYSA-N 0 0 399.686 5.520 50 0 GKAARN O=C(CCC(F)(F)F)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012757852 570710177 /nfs/dbraw/zinc/71/01/77/570710177.db2.gz FQJQSRKTGAOJNK-LJQANCHMSA-N 0 0 389.417 5.117 50 0 GKAARN Cc1nc(SCc2nc(-c3cccc(Cl)c3)no2)[nH]c1Cc1ccccc1 ZINC000006931714 570710296 /nfs/dbraw/zinc/71/02/96/570710296.db2.gz KQMGJFXXFYVEOH-UHFFFAOYSA-N 0 0 396.903 5.305 50 0 GKAARN O=c1c2[nH]c3ccccc3c2nc(SC2CCCC2)n1-c1ccccc1F ZINC000004362934 570710619 /nfs/dbraw/zinc/71/06/19/570710619.db2.gz ZNACXRQOMHUBNN-UHFFFAOYSA-N 0 0 379.460 5.041 50 0 GKAARN Cc1ccc(CN(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cc1 ZINC000012762836 570711081 /nfs/dbraw/zinc/71/10/81/570711081.db2.gz UCGKBEZLXWPTQI-UHFFFAOYSA-N 0 0 383.495 5.190 50 0 GKAARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1cc(Cl)ccc1F ZINC000065149388 570711110 /nfs/dbraw/zinc/71/11/10/570711110.db2.gz XDAMNIUJPDWXTD-UHFFFAOYSA-N 0 0 377.828 5.029 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(C)c3C)c12 ZINC000012769659 570711580 /nfs/dbraw/zinc/71/15/80/570711580.db2.gz LPBDJJJYSHBGSO-UHFFFAOYSA-N 0 0 375.403 5.206 50 0 GKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)c1 ZINC000004365784 570711584 /nfs/dbraw/zinc/71/15/84/570711584.db2.gz TXJMRAHHFZMJEA-UHFFFAOYSA-N 0 0 389.499 5.598 50 0 GKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)s1 ZINC000001056447 570711605 /nfs/dbraw/zinc/71/16/05/570711605.db2.gz PKJWVTKIMCDBEF-UHFFFAOYSA-N 0 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XZABREYZCJGBNL-LNVKXUELSA-N 0 0 396.581 6.331 50 0 GKAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)on1 ZINC000064985105 570757873 /nfs/dbraw/zinc/75/78/73/570757873.db2.gz LRGQBDAVMJRJFV-OAHLLOKOSA-N 0 0 396.260 5.069 50 0 GKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(F)c(Cl)c1)C(C)(C)N2 ZINC000013562042 570758328 /nfs/dbraw/zinc/75/83/28/570758328.db2.gz VKQQFVPJUHKXJT-PYCFMQQDSA-N 0 0 390.936 6.471 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(F)cc3C)c2C)c1-c1cccc(C)c1 ZINC000021914500 570758600 /nfs/dbraw/zinc/75/86/00/570758600.db2.gz IMCKOLKZTDTAST-UHFFFAOYSA-N 0 0 388.446 5.021 50 0 GKAARN Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)N4CCCCC4)c32)cc1 ZINC000036618437 570759423 /nfs/dbraw/zinc/75/94/23/570759423.db2.gz AVYKAZOUEXASPL-UHFFFAOYSA-N 0 0 387.439 5.084 50 0 GKAARN C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000013597544 570761909 /nfs/dbraw/zinc/76/19/09/570761909.db2.gz PXHZBZOQOIZHPD-INIZCTEOSA-N 0 0 389.886 5.229 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc2cc(Cl)ccc2o1 ZINC000013624896 570763339 /nfs/dbraw/zinc/76/33/39/570763339.db2.gz PZEKFPYJPHRYSI-UHFFFAOYSA-N 0 0 389.798 5.542 50 0 GKAARN CCSc1ncc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000013624333 570763451 /nfs/dbraw/zinc/76/34/51/570763451.db2.gz VELBKSNMEIFVOA-UHFFFAOYSA-N 0 0 385.876 5.287 50 0 GKAARN O=C(Cn1ccc2ccccc21)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206990376 570764013 /nfs/dbraw/zinc/76/40/13/570764013.db2.gz DIJKBUJSPOIULS-FQEVSTJZSA-N 0 0 384.932 5.002 50 0 GKAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036620338 570764362 /nfs/dbraw/zinc/76/43/62/570764362.db2.gz PWCQHCGRPRYEKX-HXUWFJFHSA-N 0 0 377.937 5.064 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036620734 570765157 /nfs/dbraw/zinc/76/51/57/570765157.db2.gz JKTOCVUIWORXPB-LJQANCHMSA-N 0 0 377.937 5.163 50 0 GKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000036620782 570765176 /nfs/dbraw/zinc/76/51/76/570765176.db2.gz OKVHBUDNFNOUHC-JOCHJYFZSA-N 0 0 387.520 5.399 50 0 GKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c12 ZINC000013641893 570765545 /nfs/dbraw/zinc/76/55/45/570765545.db2.gz HCBFNYUEYSAVEZ-AWEZNQCLSA-N 0 0 391.496 5.368 50 0 GKAARN O=C(NC1CCCC1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641607 570765622 /nfs/dbraw/zinc/76/56/22/570765622.db2.gz FPNNNCBISCAORJ-UHFFFAOYSA-N 0 0 389.480 5.291 50 0 GKAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(-c3ccccc3)cnn21 ZINC000013645487 570765842 /nfs/dbraw/zinc/76/58/42/570765842.db2.gz MORBJFQYAHDWNO-UHFFFAOYSA-N 0 0 398.249 5.157 50 0 GKAARN CCc1cc(C(=O)Nc2ccc(C)cc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621657 570765930 /nfs/dbraw/zinc/76/59/30/570765930.db2.gz JCDQVCSKCSAPBS-UHFFFAOYSA-N 0 0 396.494 5.421 50 0 GKAARN Cc1noc2ccc(-c3c(-c4ccccc4)ncn3C[C@H](C)n3ccnc3)cc12 ZINC000065403595 570766105 /nfs/dbraw/zinc/76/61/05/570766105.db2.gz ATILAKHANSHOJW-INIZCTEOSA-N 0 0 383.455 5.124 50 0 GKAARN O=C1C[C@@H](c2cccc(O)c2)c2c(-c3ccccc3)nn(-c3cccc(F)c3)c2N1 ZINC000013655714 570767352 /nfs/dbraw/zinc/76/73/52/570767352.db2.gz ONPKHBMZVHWNRE-FQEVSTJZSA-N 0 0 399.425 5.508 50 0 GKAARN Cc1ccsc1CNc1ccc(C(=O)N(C)Cc2cc(C(C)C)on2)cc1 ZINC000065419826 570767483 /nfs/dbraw/zinc/76/74/83/570767483.db2.gz AIOJNESOEGBLAE-UHFFFAOYSA-N 0 0 383.517 5.052 50 0 GKAARN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1C[C@H](O)c1ccccc1 ZINC000065409473 570767590 /nfs/dbraw/zinc/76/75/90/570767590.db2.gz BQZCJLBYBWGHHQ-FQEVSTJZSA-N 0 0 388.442 5.098 50 0 GKAARN FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013659127 570767841 /nfs/dbraw/zinc/76/78/41/570767841.db2.gz ONOCFCFRQJNCBA-UHFFFAOYSA-N 0 0 396.312 5.293 50 0 GKAARN Cc1nccn1CCCn1cnc(-c2ccccc2)c1-c1cccc2cnccc21 ZINC000065503392 570771231 /nfs/dbraw/zinc/77/12/31/570771231.db2.gz UIWLFEDACDAQJO-UHFFFAOYSA-N 0 0 393.494 5.361 50 0 GKAARN O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021944480 570772452 /nfs/dbraw/zinc/77/24/52/570772452.db2.gz KMYMQYKTZXFKHJ-UHFFFAOYSA-N 0 0 392.890 5.079 50 0 biogenic GKAARN COc1cc(N2C(=O)c3ccccc3C2=O)ccc1-c1cccc(C(F)(F)F)c1 ZINC000096602175 570774752 /nfs/dbraw/zinc/77/47/52/570774752.db2.gz GXOQIKINXQEJCJ-UHFFFAOYSA-N 0 0 397.352 5.182 50 0 GKAARN COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)cc1 ZINC000005669648 570775386 /nfs/dbraw/zinc/77/53/86/570775386.db2.gz MQIIMPRNNAOWNT-UHFFFAOYSA-N 0 0 396.446 5.249 50 0 GKAARN CC(C)c1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000013692247 570776402 /nfs/dbraw/zinc/77/64/02/570776402.db2.gz MXWMSGRAQYZLAS-UHFFFAOYSA-N 0 0 397.887 5.980 50 0 GKAARN CCCCCC12CCC(c3ccc(-c4ccc(CCC)cn4)cc3)(CC1)CC2 ZINC000004645866 570778538 /nfs/dbraw/zinc/77/85/38/570778538.db2.gz CTAVDJPCZRMXOB-UHFFFAOYSA-N 0 0 375.600 7.873 50 0 GKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CCc1ccccc1 ZINC000067207133 570778901 /nfs/dbraw/zinc/77/89/01/570778901.db2.gz ZHHFVRYLRMTZTO-UHFFFAOYSA-N 0 0 388.492 5.543 50 0 GKAARN COc1ccc([C@@H](NC(=O)COc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000067192421 570778923 /nfs/dbraw/zinc/77/89/23/570778923.db2.gz MJECFTLQGDBBAK-SANMLTNESA-N 0 0 397.474 5.133 50 0 GKAARN COc1ccc([C@H](NC(=O)COc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000067192419 570779024 /nfs/dbraw/zinc/77/90/24/570779024.db2.gz MJECFTLQGDBBAK-AREMUKBSSA-N 0 0 397.474 5.133 50 0 GKAARN O=C([O-])c1ccc(Cl)c(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)c1 ZINC000013730543 570782708 /nfs/dbraw/zinc/78/27/08/570782708.db2.gz FRTRUOJBJYOJPV-UHFFFAOYSA-N 0 0 394.858 5.112 50 0 GKAARN CCCCCCc1cc2cc(C(=O)Nc3ccc(C)cc3)c(=N)oc2cc1O ZINC000007078800 570782748 /nfs/dbraw/zinc/78/27/48/570782748.db2.gz JZMKEXLVMLLUTK-UHFFFAOYSA-N 0 0 378.472 5.301 50 0 GKAARN C[C@@H]1SC2=NC3=C(CCc4ccccc43)[C@@H](c3ccc(Cl)cc3)N2C1=O ZINC000007089659 570784423 /nfs/dbraw/zinc/78/44/23/570784423.db2.gz ZWNGAVDMKOQOCV-HXPMCKFVSA-N 0 0 380.900 5.072 50 0 GKAARN Clc1ccc(-c2cc(CN[C@H](c3ccccc3)c3ccccn3)on2)cc1 ZINC000096794838 570785366 /nfs/dbraw/zinc/78/53/66/570785366.db2.gz FYUIGXDNRQTKOA-JOCHJYFZSA-N 0 0 375.859 5.269 50 0 GKAARN O=Cc1ccc(OCCCCCCCCCCOc2ccc(C=O)cc2)cc1 ZINC000004459799 570785795 /nfs/dbraw/zinc/78/57/95/570785795.db2.gz VTOYTNPMWUKNML-UHFFFAOYSA-N 0 0 382.500 5.890 50 0 biogenic GKAARN Cc1ccccc1[C@@H]1c2ccccc2O[C@@]2(c3ccccc3)C(Cl)(Cl)[C@@]12C ZINC000013757035 570785913 /nfs/dbraw/zinc/78/59/13/570785913.db2.gz XOLUTXVNTZMZIT-XPWALMASSA-N 0 0 395.329 6.609 50 0 GKAARN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000015163002 570786432 /nfs/dbraw/zinc/78/64/32/570786432.db2.gz DFUVYUIOKPEVNC-MMEFYLPPSA-N 0 0 395.502 5.462 50 0 GKAARN Cc1ccc(-c2ccsc2C(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000032740995 570786643 /nfs/dbraw/zinc/78/66/43/570786643.db2.gz ZXTRHCBNARSHHG-UHFFFAOYSA-N 0 0 378.522 5.605 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000032744446 570787381 /nfs/dbraw/zinc/78/73/81/570787381.db2.gz GWNBQOUBFPMQOG-UHFFFAOYSA-N 0 0 381.479 5.337 50 0 GKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)c1 ZINC000013769236 570787522 /nfs/dbraw/zinc/78/75/22/570787522.db2.gz MKHLKIGKOZZMSA-GGAORHGYSA-N 0 0 390.870 5.591 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000013783747 570789856 /nfs/dbraw/zinc/78/98/56/570789856.db2.gz AHWOEMBXZXGDBQ-JQDKMYNHSA-N 0 0 396.659 7.619 50 0 GKAARN CCN(CC)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC000012460439 570790004 /nfs/dbraw/zinc/79/00/04/570790004.db2.gz VRCQRIJNOUBHNN-UHFFFAOYSA-N 0 0 396.343 5.243 50 0 GKAARN CCOC1=C([C@@H](c2ccccc2)c2ccc(OC)cc2)c2cccc3cccc1c23 ZINC000007101855 570790339 /nfs/dbraw/zinc/79/03/39/570790339.db2.gz SKVRMUVBSCRCHE-VWLOTQADSA-N 0 0 392.498 6.899 50 0 GKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc3c(c1)OCO3)C(C)(C)N2 ZINC000004468531 570790794 /nfs/dbraw/zinc/79/07/94/570790794.db2.gz VBFGGISRNSXCAT-VZCXRCSSSA-N 0 0 382.510 5.407 50 0 GKAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccnc1SC(F)(F)F ZINC000063091405 570791856 /nfs/dbraw/zinc/79/18/56/570791856.db2.gz GUCCSWPPCFDVDD-UHFFFAOYSA-N 0 0 395.450 5.326 50 0 GKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000032747149 570793065 /nfs/dbraw/zinc/79/30/65/570793065.db2.gz VIAAYKOTWZSICD-CMPLNLGQSA-N 0 0 381.303 5.063 50 0 GKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000032747151 570793141 /nfs/dbraw/zinc/79/31/41/570793141.db2.gz VIAAYKOTWZSICD-JQWIXIFHSA-N 0 0 381.303 5.063 50 0 GKAARN CC(C)[C@@H](NC(=O)CSc1ccc(Br)cc1)c1cccs1 ZINC000007120367 570793097 /nfs/dbraw/zinc/79/30/97/570793097.db2.gz GLGZZIJTSOHYGX-MRXNPFEDSA-N 0 0 384.364 5.116 50 0 GKAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000032747457 570793549 /nfs/dbraw/zinc/79/35/49/570793549.db2.gz SMXJBXALJASGSY-UHFFFAOYSA-N 0 0 378.375 5.090 50 0 GKAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000004463671 570793850 /nfs/dbraw/zinc/79/38/50/570793850.db2.gz QITSLXNQERWMIM-UHFFFAOYSA-N 0 0 390.483 5.185 50 0 GKAARN Cc1ccc2[nH]c(C(=C(Sc3ccccc3)C(Cl)Cl)[N+](=O)[O-])nc2c1 ZINC000004475641 570794426 /nfs/dbraw/zinc/79/44/26/570794426.db2.gz IJFJZNADRVSBLP-VKAVYKQESA-N 0 0 394.283 5.717 50 0 GKAARN O=C(COC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1 ZINC000005825442 570795108 /nfs/dbraw/zinc/79/51/08/570795108.db2.gz ZPRGSGVJYZIUDX-UHFFFAOYSA-N 0 0 380.440 5.158 50 0 GKAARN CC(C)(C)C1C/C(=C/c2ccccc2Cl)C(=O)/C(=C\c2ccccc2Cl)C1 ZINC000005825262 570795137 /nfs/dbraw/zinc/79/51/37/570795137.db2.gz URPRDKNLDCYRPM-BKHHGCLFSA-N 0 0 399.361 7.486 50 0 GKAARN O=c1nc(SCCc2ccccc2)[nH]c2sc3c(c21)CCc1ccccc1-3 ZINC000018030068 570795207 /nfs/dbraw/zinc/79/52/07/570795207.db2.gz GSLONJKSYVZDBS-UHFFFAOYSA-N 0 0 390.533 5.085 50 0 GKAARN COc1ccc(-c2cc3ccc(OCc4ccccc4)cc3nc2Cl)cc1 ZINC000063120239 570795546 /nfs/dbraw/zinc/79/55/46/570795546.db2.gz FCEIZYVEVGNSIX-UHFFFAOYSA-N 0 0 375.855 6.143 50 0 GKAARN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc2cc(F)ccc2[nH]1 ZINC000032760083 570795625 /nfs/dbraw/zinc/79/56/25/570795625.db2.gz QEESDHMHVCHNML-UHFFFAOYSA-N 0 0 377.444 5.247 50 0 GKAARN CCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(CCCC)cc2)cc1 ZINC000005834610 570796125 /nfs/dbraw/zinc/79/61/25/570796125.db2.gz KFJWDJRSHJVYJS-UHFFFAOYSA-N 0 0 383.488 5.004 50 0 GKAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cc(Cl)cc2cccnc21 ZINC000032753686 570796457 /nfs/dbraw/zinc/79/64/57/570796457.db2.gz FBYFEWKQCJZIRP-UHFFFAOYSA-N 0 0 385.901 5.254 50 0 GKAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)cc1 ZINC000005845142 570796649 /nfs/dbraw/zinc/79/66/49/570796649.db2.gz KWXHAMWTTGYRLB-HSZRJFAPSA-N 0 0 396.446 5.080 50 0 GKAARN Cc1c(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000032754153 570796952 /nfs/dbraw/zinc/79/69/52/570796952.db2.gz GACUWUWMVHKCCT-GOSISDBHSA-N 0 0 391.540 5.471 50 0 GKAARN Cc1csc(Sc2ccc(NC(=O)N3CCC[C@H]3c3cccn3C)cc2)n1 ZINC000063163047 570797108 /nfs/dbraw/zinc/79/71/08/570797108.db2.gz PNCXTGNNPNQITO-SFHVURJKSA-N 0 0 398.557 5.310 50 0 GKAARN Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccc(C(C)(C)C)cc3)C2)c1 ZINC000005850572 570797338 /nfs/dbraw/zinc/79/73/38/570797338.db2.gz XCLJPBJDQJDOCE-UHFFFAOYSA-N 0 0 382.507 6.643 50 0 GKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000005861359 570797971 /nfs/dbraw/zinc/79/79/71/570797971.db2.gz XHCWXKRYZACRFO-ZWCUEREDSA-N 0 0 399.531 5.038 50 0 GKAARN CCCCCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(F)cc1 ZINC000005865388 570798366 /nfs/dbraw/zinc/79/83/66/570798366.db2.gz IWSYKMUPXXXUKF-ACJLOTCBSA-N 0 0 391.512 5.034 50 0 GKAARN COc1ccc(CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1F ZINC000005866718 570798917 /nfs/dbraw/zinc/79/89/17/570798917.db2.gz CEEMTMKBBXQRKX-UHFFFAOYSA-N 0 0 387.480 5.483 50 0 GKAARN CCc1ccc(NC=C2c3ccccc3C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000018097495 570799181 /nfs/dbraw/zinc/79/91/81/570799181.db2.gz NQOHCDDUSXSOJP-CJLVFECKSA-N 0 0 382.463 5.197 50 0 GKAARN Clc1cc(-c2ccnc(SCc3ccc(Cl)cc3)n2)c(Cl)s1 ZINC000005674052 570799638 /nfs/dbraw/zinc/79/96/38/570799638.db2.gz GPMFYADTXUOKHB-UHFFFAOYSA-N 0 0 387.744 6.458 50 0 GKAARN Fc1cccc(Cl)c1CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000065330853 570801450 /nfs/dbraw/zinc/80/14/50/570801450.db2.gz ODFVUIBEJJKIAR-UHFFFAOYSA-N 0 0 392.952 6.336 50 0 GKAARN O=C1C[C@H](c2ccccc2C(F)(F)F)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000065331241 570801753 /nfs/dbraw/zinc/80/17/53/570801753.db2.gz LXRQOYVFRNXADK-CQSZACIVSA-N 0 0 391.780 5.019 50 0 GKAARN O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000065331240 570801763 /nfs/dbraw/zinc/80/17/63/570801763.db2.gz LXRQOYVFRNXADK-AWEZNQCLSA-N 0 0 391.780 5.019 50 0 GKAARN Cc1ccc(C)c(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)c1 ZINC000033072400 570803687 /nfs/dbraw/zinc/80/36/87/570803687.db2.gz KHSLXPKOSAVCLP-UHFFFAOYSA-N 0 0 378.520 5.056 50 0 GKAARN CCN(CC)c1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000033073313 570804493 /nfs/dbraw/zinc/80/44/93/570804493.db2.gz VGFMRSQQTBQGTA-UHFFFAOYSA-N 0 0 387.405 5.352 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073295 570804512 /nfs/dbraw/zinc/80/45/12/570804512.db2.gz TWCUJAKREHMVGP-UHFFFAOYSA-N 0 0 379.891 5.439 50 0 GKAARN Cc1cc2c(cc1C)CSC(c1ccccc1OC(=O)C(C)(C)C)SC2 ZINC000005926764 570804635 /nfs/dbraw/zinc/80/46/35/570804635.db2.gz SBUQLFTZSSHMFG-UHFFFAOYSA-N 0 0 386.582 6.434 50 0 GKAARN Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)n(C2CCCC2)c1C ZINC000007140015 570804817 /nfs/dbraw/zinc/80/48/17/570804817.db2.gz PVJKBNWKPMWJNQ-UHFFFAOYSA-N 0 0 397.466 5.365 50 0 GKAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCCOc3ccccc3Cl)c2C1 ZINC000005936862 570805354 /nfs/dbraw/zinc/80/53/54/570805354.db2.gz BCVCWDMZKXLQLT-OAHLLOKOSA-N 0 0 395.886 5.249 50 0 GKAARN Cc1ccc(-c2ccc(O[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)cc2)cc1 ZINC000005935046 570805370 /nfs/dbraw/zinc/80/53/70/570805370.db2.gz JPRMYHFBKHYRFF-INIZCTEOSA-N 0 0 382.406 5.914 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)sc2ncnc(N3CCCCCC3)c12 ZINC000033078849 570805519 /nfs/dbraw/zinc/80/55/19/570805519.db2.gz SHIOKHXUFKSQTK-UHFFFAOYSA-N 0 0 394.544 5.249 50 0 GKAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1Cc1ccccc1 ZINC000005938442 570805722 /nfs/dbraw/zinc/80/57/22/570805722.db2.gz 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/nfs/dbraw/zinc/80/77/00/570807700.db2.gz YVPZDZFUZVRNAI-UHFFFAOYSA-N 0 0 382.854 5.803 50 0 GKAARN CCCCc1ccc(NC(=S)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000005946371 570807754 /nfs/dbraw/zinc/80/77/54/570807754.db2.gz UVIXXVAZQGPITJ-UHFFFAOYSA-N 0 0 376.547 5.303 50 0 GKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(C(F)(F)F)c1 ZINC000005949355 570807785 /nfs/dbraw/zinc/80/77/85/570807785.db2.gz FMPMRAFLVKLHCB-UHFFFAOYSA-N 0 0 398.409 6.234 50 0 GKAARN FC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nnc2-c2ccccc2)c1 ZINC000005685041 570808127 /nfs/dbraw/zinc/80/81/27/570808127.db2.gz HSDJWIPFHKPFFN-UHFFFAOYSA-N 0 0 393.368 6.017 50 0 GKAARN Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n(-c2ccc(C)cc2)n1 ZINC000005683987 570808139 /nfs/dbraw/zinc/80/81/39/570808139.db2.gz VKFHFSWGVMRQFQ-UHFFFAOYSA-N 0 0 383.451 5.534 50 0 GKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1Cl ZINC000001770415 570808160 /nfs/dbraw/zinc/80/81/60/570808160.db2.gz XSHJULDVRNHSHP-UHFFFAOYSA-N 0 0 375.255 5.770 50 0 GKAARN C[C@H](OC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(Cl)c1 ZINC000012542142 570808377 /nfs/dbraw/zinc/80/83/77/570808377.db2.gz FBJOFLQNGVEWSB-IOCXFXADSA-N 0 0 383.658 5.475 50 0 GKAARN C[C@@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccccc1Oc1ccccc1)c3=O ZINC000033088936 570808803 /nfs/dbraw/zinc/80/88/03/570808803.db2.gz DQHINDACDBFAHJ-MRXNPFEDSA-N 0 0 396.446 5.163 50 0 GKAARN C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 ZINC000012644693 570809527 /nfs/dbraw/zinc/80/95/27/570809527.db2.gz IYKKZPGSIYBDHO-IOCXFXADSA-N 0 0 398.673 5.230 50 0 GKAARN Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(Cl)cc2)cc1 ZINC000004492057 570809532 /nfs/dbraw/zinc/80/95/32/570809532.db2.gz BXNXDHAOZKTYEV-BZZOAKBMSA-N 0 0 390.939 6.459 50 0 GKAARN CSc1ccc(CN(C)C(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000005965596 570810052 /nfs/dbraw/zinc/81/00/52/570810052.db2.gz PLPJGGFVGPSUEN-UHFFFAOYSA-N 0 0 377.509 5.113 50 0 GKAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)cc1 ZINC000004659551 570810079 /nfs/dbraw/zinc/81/00/79/570810079.db2.gz 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570810532 /nfs/dbraw/zinc/81/05/32/570810532.db2.gz WVRRRHSQOYVUCA-UHFFFAOYSA-N 0 0 398.434 5.222 50 0 GKAARN Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000007179526 570810566 /nfs/dbraw/zinc/81/05/66/570810566.db2.gz NNYCYQGHAZFARP-CYBMUJFWSA-N 0 0 389.883 5.093 50 0 GKAARN O=C(Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1)c1ccc(Br)o1 ZINC000033106091 570810734 /nfs/dbraw/zinc/81/07/34/570810734.db2.gz WWJWINONPHZJKB-UHFFFAOYSA-N 0 0 399.219 5.582 50 0 GKAARN CC[C@H]1CCCCN1C(=S)Nc1sc(-c2ccccc2)cc1C(=O)OC ZINC000005984886 570811384 /nfs/dbraw/zinc/81/13/84/570811384.db2.gz WFUZFVWNQKIACU-HNNXBMFYSA-N 0 0 388.558 5.163 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC[C@H]1C ZINC000005980012 570811445 /nfs/dbraw/zinc/81/14/45/570811445.db2.gz NSYNLOZPUIUBEF-CQSZACIVSA-N 0 0 388.558 5.163 50 0 GKAARN Cc1nc2ccccc2nc1CSCc1nc(-c2ccccc2Cl)no1 ZINC000032778723 570811647 /nfs/dbraw/zinc/81/16/47/570811647.db2.gz GZPVFZZOBOBZTJ-UHFFFAOYSA-N 0 0 382.876 5.075 50 0 GKAARN Cc1sc2nc(C)nc(S[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)c2c1C ZINC000007183174 570811762 /nfs/dbraw/zinc/81/17/62/570811762.db2.gz ODWNESYUVYAOPG-ZDUSSCGKSA-N 0 0 396.541 5.828 50 0 GKAARN O=C(CSCc1csc(-c2ccsc2)n1)Nc1cccc2ccccc21 ZINC000032779126 570812079 /nfs/dbraw/zinc/81/20/79/570812079.db2.gz ACTJDXBHMNBADX-UHFFFAOYSA-N 0 0 396.562 5.897 50 0 GKAARN Cc1c(C(=O)Nc2cc(C)nc(C(C)C)n2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000063440136 570812195 /nfs/dbraw/zinc/81/21/95/570812195.db2.gz FDEXDBXFUZIHCG-UHFFFAOYSA-N 0 0 397.548 5.080 50 0 GKAARN C[C@H]1CCc2sc(-c3nnc(SCc4ccc5ccccc5n4)o3)cc2C1 ZINC000007189487 570812223 /nfs/dbraw/zinc/81/22/23/570812223.db2.gz OCVNBWLBXFUEKG-ZDUSSCGKSA-N 0 0 393.537 5.763 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)c1 ZINC000033113723 570812298 /nfs/dbraw/zinc/81/22/98/570812298.db2.gz IUCVDBBMRBIJNZ-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN COc1ccc2c(Cl)c(C(=O)N[C@@H](C)c3ccncc3)sc2c1Cl ZINC000007184327 570812384 /nfs/dbraw/zinc/81/23/84/570812384.db2.gz 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CC[C@@H](C)c1ccc(NC(=O)Cn2c3ccccc3nc2-c2cscn2)cc1 ZINC000006024685 570814944 /nfs/dbraw/zinc/81/49/44/570814944.db2.gz RJEDBVCQKWMLQS-OAHLLOKOSA-N 0 0 390.512 5.312 50 0 GKAARN Cn1ccnc1S[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000035026088 570815113 /nfs/dbraw/zinc/81/51/13/570815113.db2.gz PHRHHWODCHHSQV-ZGWCHSHBSA-N 0 0 386.605 5.493 50 0 GKAARN Cn1ccnc1S[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000035026089 570815413 /nfs/dbraw/zinc/81/54/13/570815413.db2.gz PHRHHWODCHHSQV-LODXKARKSA-N 0 0 386.605 5.493 50 0 GKAARN O=C(NCc1ccc(F)cc1)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1 ZINC000033123716 570815511 /nfs/dbraw/zinc/81/55/11/570815511.db2.gz LFQPOFUKPMMYPW-UHFFFAOYSA-N 0 0 377.394 5.435 50 0 GKAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033123746 570815563 /nfs/dbraw/zinc/81/55/63/570815563.db2.gz GSISJHQECOJSKQ-UHFFFAOYSA-N 0 0 385.423 5.266 50 0 GKAARN Fc1ccc(-c2cnc(CSc3nc4ccccc4n3C(F)F)o2)cc1 ZINC000036800271 570815508 /nfs/dbraw/zinc/81/55/08/570815508.db2.gz VPDDLFZECAQGIE-UHFFFAOYSA-N 0 0 375.375 5.518 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033123775 570815578 /nfs/dbraw/zinc/81/55/78/570815578.db2.gz UFRAHZCWVDMBSG-UHFFFAOYSA-N 0 0 375.859 6.441 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033123765 570815597 /nfs/dbraw/zinc/81/55/97/570815597.db2.gz MLXWGGLBHAQFIT-UHFFFAOYSA-N 0 0 375.859 6.441 50 0 GKAARN COc1cc(NC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc(OC)c1 ZINC000033123634 570815633 /nfs/dbraw/zinc/81/56/33/570815633.db2.gz QORYCYBFZUTKCV-UHFFFAOYSA-N 0 0 387.439 5.496 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc1 ZINC000033123610 570815652 /nfs/dbraw/zinc/81/56/52/570815652.db2.gz REBKBQQODUIUGZ-UHFFFAOYSA-N 0 0 399.450 5.656 50 0 GKAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101128328 570815782 /nfs/dbraw/zinc/81/57/82/570815782.db2.gz SXNFGIYUHKUQSM-HSZRJFAPSA-N 0 0 398.441 5.052 50 0 GKAARN CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000101132468 570815820 /nfs/dbraw/zinc/81/58/20/570815820.db2.gz GVNAGJQLARPONH-NRFANRHFSA-N 0 0 381.479 5.458 50 0 GKAARN O=C(NCc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124134 570815925 /nfs/dbraw/zinc/81/59/25/570815925.db2.gz JDWUTEYIWLBCOT-UHFFFAOYSA-N 0 0 377.444 5.424 50 0 GKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)Nc1ccc(F)cc1F ZINC000033123985 570815949 /nfs/dbraw/zinc/81/59/49/570815949.db2.gz YDCVNYGTYCKADH-UHFFFAOYSA-N 0 0 381.357 5.896 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)Cc1ccccc1 ZINC000033124047 570815960 /nfs/dbraw/zinc/81/59/60/570815960.db2.gz ZKGHSAMHZXZDRE-UHFFFAOYSA-N 0 0 394.521 5.214 50 0 GKAARN CCc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033124173 570816022 /nfs/dbraw/zinc/81/60/22/570816022.db2.gz VGUYWWPJZNOTEK-UHFFFAOYSA-N 0 0 387.508 6.478 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc21 ZINC000006038095 570815991 /nfs/dbraw/zinc/81/59/91/570815991.db2.gz 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CCOc1ccccc1NC(=O)[C@H](Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000007242283 570818535 /nfs/dbraw/zinc/81/85/35/570818535.db2.gz IEOMEYQEJRQASC-XMMPIXPASA-N 0 0 386.495 5.366 50 0 GKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCC[C@H](C)C4)c23)cc1 ZINC000007234172 570818904 /nfs/dbraw/zinc/81/89/04/570818904.db2.gz WDEMIKWYXRHPAH-HNNXBMFYSA-N 0 0 397.569 5.017 50 0 GKAARN CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000032797127 570818943 /nfs/dbraw/zinc/81/89/43/570818943.db2.gz HXQMKHCPKRIPSB-LLVKDONJSA-N 0 0 386.801 5.197 50 0 GKAARN CCC1CCC(N(C(=O)Cc2csc(-c3cccc(F)c3)n2)C2CC2)CC1 ZINC000032796996 570819069 /nfs/dbraw/zinc/81/90/69/570819069.db2.gz VGXCQDLIYQQPDD-UHFFFAOYSA-N 0 0 386.536 5.452 50 0 GKAARN Cn1c(COc2ccccc2Cl)nnc1SCc1c(F)cccc1Cl ZINC000007236107 570819095 /nfs/dbraw/zinc/81/90/95/570819095.db2.gz HZTSLSYREVQIIJ-UHFFFAOYSA-N 0 0 398.290 5.132 50 0 GKAARN Cn1c(COc2ccccc2Cl)nnc1SCc1cccc2ccccc21 ZINC000007236078 570819113 /nfs/dbraw/zinc/81/91/13/570819113.db2.gz 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Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000004678477 570824278 /nfs/dbraw/zinc/82/42/78/570824278.db2.gz LHXYIPHMOORATC-UHFFFAOYSA-N 0 0 383.882 6.327 50 0 GKAARN Cc1c(CCc2ccncc2)n2ccccc2c1C(=O)Nc1cccc(Cl)c1 ZINC000012511348 570824602 /nfs/dbraw/zinc/82/46/02/570824602.db2.gz PCYUPALWQWEQGM-UHFFFAOYSA-N 0 0 389.886 5.334 50 0 GKAARN Cn1c(-c2ccc3c(c2)OCO3)cn2cc(-c3ccc(Cl)c(Cl)c3)nc21 ZINC000004678613 570824640 /nfs/dbraw/zinc/82/46/40/570824640.db2.gz DGKXCDXJNWLWCA-UHFFFAOYSA-N 0 0 386.238 5.042 50 0 GKAARN CCCOc1ccc(Nc2c(C(=O)OCC)cnc3c(CC)cccc32)cc1 ZINC000001911111 570824754 /nfs/dbraw/zinc/82/47/54/570824754.db2.gz GJTUVFJXRTVJMA-UHFFFAOYSA-N 0 0 378.472 5.506 50 0 GKAARN O=C(CSc1nnc(C2CC2)o1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000007289624 570825241 /nfs/dbraw/zinc/82/52/41/570825241.db2.gz UVVGEFPZJQPPTA-UHFFFAOYSA-N 0 0 375.453 5.070 50 0 GKAARN Cc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000001911861 570825380 /nfs/dbraw/zinc/82/53/80/570825380.db2.gz 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/nfs/dbraw/zinc/88/82/58/570888258.db2.gz WAQAHOJYBVVSIJ-CYBMUJFWSA-N 0 0 397.887 5.122 50 0 GKAARN C/C(=C(\NC(=O)c1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000103747631 570888519 /nfs/dbraw/zinc/88/85/19/570888519.db2.gz QKOORECABZWBLD-LTGZKZEYSA-N 0 0 390.870 5.140 50 0 GKAARN COc1ccc(-c2cc3ccccc3n2C[C@H](O)CNc2ccc(C)cc2)cc1 ZINC000004562121 570889348 /nfs/dbraw/zinc/88/93/48/570889348.db2.gz TULNYXZKFCCWRW-JOCHJYFZSA-N 0 0 386.495 5.098 50 0 GKAARN COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CNc2ccc(C)cc2)cc1 ZINC000004562118 570889394 /nfs/dbraw/zinc/88/93/94/570889394.db2.gz TULNYXZKFCCWRW-QFIPXVFZSA-N 0 0 386.495 5.098 50 0 GKAARN CCc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267831 570889626 /nfs/dbraw/zinc/88/96/26/570889626.db2.gz KAZCSPDFVRDBBZ-QFIPXVFZSA-N 0 0 398.510 5.089 50 0 GKAARN Cc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c(C)c1 ZINC000033267877 570889628 /nfs/dbraw/zinc/88/96/28/570889628.db2.gz VJQXFWAGMGAUMS-NRFANRHFSA-N 0 0 398.510 5.144 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)[C@H]1C ZINC000103891564 570889985 /nfs/dbraw/zinc/88/99/85/570889985.db2.gz VJPXNXINLPZJRM-NMMYMHLASA-N 0 0 388.555 5.563 50 0 GKAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nc2ccccc2s1 ZINC000012609732 570890023 /nfs/dbraw/zinc/89/00/23/570890023.db2.gz CDHBCQWIZRJRGG-ZDUSSCGKSA-N 0 0 378.526 5.608 50 0 GKAARN Cc1nc2cc(NC(=O)c3ccc(SCc4csc(C)n4)cc3)ccc2o1 ZINC000022416117 570890136 /nfs/dbraw/zinc/89/01/36/570890136.db2.gz OLHHRTDRVXOEEP-UHFFFAOYSA-N 0 0 395.509 5.446 50 0 GKAARN Fc1ccc(-c2nnc(-c3nc4ccccc4c(NC4CCCCC4)n3)o2)cc1 ZINC000033268345 570890480 /nfs/dbraw/zinc/89/04/80/570890480.db2.gz MVHJUWLUXHBFRG-UHFFFAOYSA-N 0 0 389.434 5.231 50 0 GKAARN CCc1ccccc1N(CC)C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000004563510 570891006 /nfs/dbraw/zinc/89/10/06/570891006.db2.gz XAYDUJKWJTZKLM-UHFFFAOYSA-N 0 0 377.465 5.237 50 0 GKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000004564383 570891305 /nfs/dbraw/zinc/89/13/05/570891305.db2.gz HPJOMZBPCJHUMH-FOIQADDNSA-N 0 0 394.515 5.834 50 0 GKAARN FC(F)Oc1ccc(-c2csc(Nc3ccccn3)n2)c(OC(F)F)c1 ZINC000022421006 570891494 /nfs/dbraw/zinc/89/14/94/570891494.db2.gz AGRRUSCWSNGGJS-UHFFFAOYSA-N 0 0 385.342 5.152 50 0 GKAARN COc1ccc(SCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000010219170 570892653 /nfs/dbraw/zinc/89/26/53/570892653.db2.gz NTBNQVQMZQMWBY-UHFFFAOYSA-N 0 0 384.526 5.166 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000103998148 570892686 /nfs/dbraw/zinc/89/26/86/570892686.db2.gz CVPLOKDRCDBKIJ-QFIPXVFZSA-N 0 0 394.902 6.152 50 0 GKAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1C ZINC000023041240 570893085 /nfs/dbraw/zinc/89/30/85/570893085.db2.gz MSWHRPKWXXGTCN-UHFFFAOYSA-N 0 0 382.847 5.532 50 0 GKAARN COc1ccc(NC(=O)c2ccc(Sc3ccccn3)cc2)c2cccnc12 ZINC000071853683 570894386 /nfs/dbraw/zinc/89/43/86/570894386.db2.gz LYXLUQXGFMBUHP-UHFFFAOYSA-N 0 0 387.464 5.042 50 0 GKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2c(F)cccc2Cl)c1 ZINC000032900603 570894450 /nfs/dbraw/zinc/89/44/50/570894450.db2.gz LRTONQWNAQYCDX-UHFFFAOYSA-N 0 0 383.810 5.375 50 0 GKAARN CSc1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000013320053 570894580 /nfs/dbraw/zinc/89/45/80/570894580.db2.gz SHWHJFDCMKHYDR-UHFFFAOYSA-N 0 0 376.525 5.752 50 0 GKAARN FC(F)(F)c1ccccc1[C@@H]1CC(c2ccccc2)=Nc2nc3ccccc3n21 ZINC000104058723 570894727 /nfs/dbraw/zinc/89/47/27/570894727.db2.gz ZWXCQLXYSLDQCY-NRFANRHFSA-N 0 0 391.396 6.111 50 0 GKAARN Cc1ccc(NC(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)c(Cl)c1 ZINC000013322871 570895118 /nfs/dbraw/zinc/89/51/18/570895118.db2.gz CNMYTAKFQMGURL-UHFFFAOYSA-N 0 0 399.966 5.296 50 0 GKAARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N=C(Nc1nc3ccccc3o1)N2 ZINC000104084001 570895325 /nfs/dbraw/zinc/89/53/25/570895325.db2.gz CQWCQSJLEJCDOL-LJQANCHMSA-N 0 0 392.846 5.441 50 0 GKAARN CC(C)CC[C@@]1(CCNC(=O)C[C@@H](c2ccco2)C(C)C)CCOC(C)(C)C1 ZINC000005339069 570895385 /nfs/dbraw/zinc/89/53/85/570895385.db2.gz IQKVDMHCMDLCMV-HYBUGGRVSA-N 0 0 391.596 5.927 50 0 GKAARN CCCCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000013330575 570895431 /nfs/dbraw/zinc/89/54/31/570895431.db2.gz VRIXOCHJUMMTLE-CYBMUJFWSA-N 0 0 386.344 5.376 50 0 GKAARN CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000013330031 570895502 /nfs/dbraw/zinc/89/55/02/570895502.db2.gz JXPSJRYKMPYKGT-OLZOCXBDSA-N 0 0 386.344 5.546 50 0 GKAARN C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1Cl ZINC000013330093 570895513 /nfs/dbraw/zinc/89/55/13/570895513.db2.gz ICZRIDRTVQNLRF-QMMMGPOBSA-N 0 0 378.086 6.183 50 0 GKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1ccc(C)cc1Cl ZINC000013331656 570895920 /nfs/dbraw/zinc/89/59/20/570895920.db2.gz LEQFCVLDVJNHSD-UHFFFAOYSA-N 0 0 382.895 5.462 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)Nc1cc(Cl)ccc1C ZINC000013331388 570895941 /nfs/dbraw/zinc/89/59/41/570895941.db2.gz NEGLDGUTKOSMJO-UHFFFAOYSA-N 0 0 382.895 5.462 50 0 GKAARN CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000013331627 570895958 /nfs/dbraw/zinc/89/59/58/570895958.db2.gz OAMLIJSCWLTPER-UHFFFAOYSA-N 0 0 398.894 5.244 50 0 GKAARN COc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCCC2)cc1 ZINC000004570553 570896418 /nfs/dbraw/zinc/89/64/18/570896418.db2.gz QSGUTUKYHDDYQI-UHFFFAOYSA-N 0 0 378.259 5.233 50 0 GKAARN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 ZINC000004550817 570896910 /nfs/dbraw/zinc/89/69/10/570896910.db2.gz QBUGFDFLTWEDHV-CQSZACIVSA-N 0 0 376.481 6.322 50 0 GKAARN CCN(CCNC(=O)c1cc2cn(C3CCCC3)cc2s1)c1ccccc1 ZINC000097112057 570897642 /nfs/dbraw/zinc/89/76/42/570897642.db2.gz RRRYSXQDEFANKQ-UHFFFAOYSA-N 0 0 381.545 5.074 50 0 GKAARN CCCCN(CCCC)c1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000004455790 570898977 /nfs/dbraw/zinc/89/89/77/570898977.db2.gz BQSVRHIFUAUKFJ-OAQYLSRUSA-N 0 0 380.576 5.383 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(F)c(F)cc1Cl ZINC000014862029 570899244 /nfs/dbraw/zinc/89/92/44/570899244.db2.gz JLSIMLRYFNAZKJ-UHFFFAOYSA-N 0 0 383.785 5.414 50 0 GKAARN O=C(CCCc1nc2ccccc2s1)N[C@H]1CCSc2c(F)cccc21 ZINC000012622083 570899303 /nfs/dbraw/zinc/89/93/03/570899303.db2.gz RKKYELONWKOKBN-HNNXBMFYSA-N 0 0 386.517 5.111 50 0 GKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(F)cc1F ZINC000014794033 570900142 /nfs/dbraw/zinc/90/01/42/570900142.db2.gz XRUGWBYYIVRFJZ-IBGZPJMESA-N 0 0 376.406 5.008 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000004024410 570900778 /nfs/dbraw/zinc/90/07/78/570900778.db2.gz RZJSCADWIWNGKI-XLRMEXJBSA-N 0 0 392.539 5.744 50 0 biogenic GKAARN Oc1ccc(Br)cc1C=NN(Cc1ccccc1)c1ccccc1 ZINC000250638448 570902286 /nfs/dbraw/zinc/90/22/86/570902286.db2.gz BMWQGCNBGKNKLD-UHFFFAOYSA-N 0 0 381.273 5.195 50 0 GKAARN CC(C)c1ccc(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000004575350 570902974 /nfs/dbraw/zinc/90/29/74/570902974.db2.gz HCCIJQDHLLQEDZ-LFIBNONCSA-N 0 0 386.926 7.032 50 0 GKAARN CC1=C[C@H](C)[C@@]2(COC(=O)Nc3ccccc3)CO[C@H](c3ccccc3)[C@@H]1[C@H]2C ZINC000004024340 570903056 /nfs/dbraw/zinc/90/30/56/570903056.db2.gz XPNCKFMJHYMAMG-ODOHIECXSA-N 0 0 391.511 5.841 50 0 biogenic GKAARN CC(C)C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1Cc2ccccc2C1=O ZINC000005727176 570904664 /nfs/dbraw/zinc/90/46/64/570904664.db2.gz HXVSFUMPKMDZBC-SFHVURJKSA-N 0 0 391.298 5.003 50 0 GKAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000032906478 570905077 /nfs/dbraw/zinc/90/50/77/570905077.db2.gz UMFLPVZTRSDJSD-UHFFFAOYSA-N 0 0 383.250 5.369 50 0 GKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000014387167 570905548 /nfs/dbraw/zinc/90/55/48/570905548.db2.gz BDUFFYQNVLSCKQ-UHFFFAOYSA-N 0 0 388.467 5.213 50 0 GKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000015833721 570905971 /nfs/dbraw/zinc/90/59/71/570905971.db2.gz VNFBYRRKGATGPA-QHCPKHFHSA-N 0 0 389.543 5.392 50 0 GKAARN Cc1c2cc(F)ccc2oc1C(=O)NCc1csc(-c2ccc(C)cc2)n1 ZINC000015832621 570906038 /nfs/dbraw/zinc/90/60/38/570906038.db2.gz ISVLIBGAOPBQIV-UHFFFAOYSA-N 0 0 380.444 5.242 50 0 GKAARN COc1c(Br)cc(Cl)cc1NC(=O)C[C@H](C)c1ccccc1 ZINC000014555409 570906129 /nfs/dbraw/zinc/90/61/29/570906129.db2.gz DNZCAVVSAXZXIA-NSHDSACASA-N 0 0 382.685 5.243 50 0 GKAARN CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c2cccnc12 ZINC000015840991 570906318 /nfs/dbraw/zinc/90/63/18/570906318.db2.gz JCFYZDZEEYLHAZ-CQSZACIVSA-N 0 0 384.863 5.083 50 0 GKAARN Cc1ccc(-c2c3nc(C)cc(N4CCCCCC4)n3nc2C(F)(F)F)cc1 ZINC000015840005 570906407 /nfs/dbraw/zinc/90/64/07/570906407.db2.gz UPHQDDWFRURCLI-UHFFFAOYSA-N 0 0 388.437 5.412 50 0 GKAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000014609488 570906377 /nfs/dbraw/zinc/90/63/77/570906377.db2.gz AJROFYDRPXISRI-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)c1 ZINC000014609622 570906451 /nfs/dbraw/zinc/90/64/51/570906451.db2.gz AKQAZLFKUFHFTH-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c2cccnc12 ZINC000015841108 570906742 /nfs/dbraw/zinc/90/67/42/570906742.db2.gz CQWXLOUEMNKMJF-GOSISDBHSA-N 0 0 392.499 5.437 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c2cccnc12 ZINC000015841118 570906785 /nfs/dbraw/zinc/90/67/85/570906785.db2.gz XQHQXFSRYHYCLB-SFHVURJKSA-N 0 0 392.499 5.437 50 0 GKAARN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1ccc(C)cc1Cl ZINC000089616649 570907455 /nfs/dbraw/zinc/90/74/55/570907455.db2.gz OYLIQIHHXYYFGC-MRXNPFEDSA-N 0 0 382.895 5.003 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)c5cccnc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004026667 570907464 /nfs/dbraw/zinc/90/74/64/570907464.db2.gz KNXPPCLGHUVEJL-QZOZEGTJSA-N 0 0 393.527 5.139 50 0 biogenic GKAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000015866803 570907582 /nfs/dbraw/zinc/90/75/82/570907582.db2.gz OJNLJLZXLPWARK-FQEVSTJZSA-N 0 0 389.586 5.241 50 0 GKAARN Cc1c(C(=O)N[C@H](C)c2cc3ccccc3o2)sc2nc(C3CC3)nc(C)c12 ZINC000032908097 570908714 /nfs/dbraw/zinc/90/87/14/570908714.db2.gz GKSHFVHVNWIFPX-GFCCVEGCSA-N 0 0 391.496 5.423 50 0 GKAARN O=C(Nc1ccccc1OC(F)(F)F)c1sc2cc(F)ccc2c1Cl ZINC000014679318 570909583 /nfs/dbraw/zinc/90/95/83/570909583.db2.gz LWJPWNJMAFFVOA-UHFFFAOYSA-N 0 0 389.757 5.845 50 0 GKAARN Cc1ccc(-c2nc(CN3CCC(c4nc5ccccc5s4)CC3)no2)cc1 ZINC000032908870 570909773 /nfs/dbraw/zinc/90/97/73/570909773.db2.gz MQKKVQYPBGZWJR-UHFFFAOYSA-N 0 0 390.512 5.034 50 0 GKAARN CC(C)c1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 ZINC000036349533 570911417 /nfs/dbraw/zinc/91/14/17/570911417.db2.gz FOHFBZQYMMXQQX-UHFFFAOYSA-N 0 0 388.895 6.477 50 0 GKAARN O=C(Cc1cc(-c2cc3ccccc3o2)on1)Nc1ccc(C(F)(F)F)cc1 ZINC000023127286 570912126 /nfs/dbraw/zinc/91/21/26/570912126.db2.gz DSGBAJKBPCMVCZ-UHFFFAOYSA-N 0 0 386.329 5.288 50 0 GKAARN O=C(OCCOc1ccc(Cl)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000032910008 570912917 /nfs/dbraw/zinc/91/29/17/570912917.db2.gz OCQBWRYFKAOJGN-UHFFFAOYSA-N 0 0 393.826 5.384 50 0 GKAARN Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000032911157 570913635 /nfs/dbraw/zinc/91/36/35/570913635.db2.gz WIGRSHJGAOQYIA-OAHLLOKOSA-N 0 0 379.456 5.223 50 0 GKAARN O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1ccco1 ZINC000089794443 570914106 /nfs/dbraw/zinc/91/41/06/570914106.db2.gz CPFVSEYAPYEQGQ-HNNXBMFYSA-N 0 0 375.211 5.171 50 0 GKAARN CCOC(=O)c1c(C)n(-c2cccc(C(F)(F)F)c2)c2ccc(OC)cc21 ZINC000005736944 570914720 /nfs/dbraw/zinc/91/47/20/570914720.db2.gz QACISJDDWLGIAV-UHFFFAOYSA-N 0 0 377.362 5.143 50 0 GKAARN Cc1ccc(-c2nc(CC(=O)Nc3ccccc3-c3cccs3)cs2)o1 ZINC000031895888 570918341 /nfs/dbraw/zinc/91/83/41/570918341.db2.gz KQADVARWYPPMNF-UHFFFAOYSA-N 0 0 380.494 5.621 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000016226819 570918495 /nfs/dbraw/zinc/91/84/95/570918495.db2.gz QRVIYHLZENMUNW-UHFFFAOYSA-N 0 0 377.831 5.144 50 0 GKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000016227051 570918560 /nfs/dbraw/zinc/91/85/60/570918560.db2.gz FUMHESQNGOFFQF-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN CCSc1ccccc1C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000004585708 570918931 /nfs/dbraw/zinc/91/89/31/570918931.db2.gz NZADPRXOJLAVJB-UHFFFAOYSA-N 0 0 394.283 5.408 50 0 GKAARN Cc1ccc(-c2csc(N3N=C(C(F)(F)F)[C@@H]4C[C@@H](C)CC[C@H]43)n2)cc1 ZINC000016957688 570919551 /nfs/dbraw/zinc/91/95/51/570919551.db2.gz ONSGVOKKWCWEOB-JGGQBBKZSA-N 0 0 379.451 5.662 50 0 GKAARN Cc1ccc(-c2csc(N3N=C(C(F)(F)F)[C@@H]4C[C@H](C)CC[C@@H]43)n2)cc1 ZINC000016957690 570919670 /nfs/dbraw/zinc/91/96/70/570919670.db2.gz ONSGVOKKWCWEOB-XPKDYRNWSA-N 0 0 379.451 5.662 50 0 GKAARN CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000089919250 570919697 /nfs/dbraw/zinc/91/96/97/570919697.db2.gz GECQAODNZAWXBY-IBGZPJMESA-N 0 0 399.922 5.052 50 0 GKAARN Cc1c2cc(Cl)ccc2n(C)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000016266565 570919680 /nfs/dbraw/zinc/91/96/80/570919680.db2.gz HOFVSLRLGIGDSV-UHFFFAOYSA-N 0 0 380.919 5.235 50 0 GKAARN Cc1ccc(CSc2nc3c(c(Oc4ccc(F)cc4F)n2)CCCC3)cc1 ZINC000005745744 570919943 /nfs/dbraw/zinc/91/99/43/570919943.db2.gz KVAYZHMVOOXQDX-UHFFFAOYSA-N 0 0 398.478 6.027 50 0 GKAARN Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000016292036 570921043 /nfs/dbraw/zinc/92/10/43/570921043.db2.gz FQVDGELIDLXVQI-UHFFFAOYSA-N 0 0 384.483 5.413 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000004587886 570922339 /nfs/dbraw/zinc/92/23/39/570922339.db2.gz ODOQLNHUHBQICO-STZFKDTASA-N 0 0 389.838 5.264 50 0 GKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccccc2)nn1 ZINC000016992415 570922751 /nfs/dbraw/zinc/92/27/51/570922751.db2.gz DHZPNDCHEJJASG-UHFFFAOYSA-N 0 0 381.551 5.929 50 0 GKAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004589094 570923470 /nfs/dbraw/zinc/92/34/70/570923470.db2.gz GCYVCYMHYPROSJ-AUWJEWJLSA-N 0 0 397.055 5.100 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000016362360 570923554 /nfs/dbraw/zinc/92/35/54/570923554.db2.gz OTFJDDSOQCJNRV-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000016361705 570923720 /nfs/dbraw/zinc/92/37/20/570923720.db2.gz CJNCTEPIGWSYPC-IBGZPJMESA-N 0 0 375.516 5.364 50 0 GKAARN CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000051329968 570923780 /nfs/dbraw/zinc/92/37/80/570923780.db2.gz SDMNMBGUNKHZQI-RMIBCPJUSA-N 0 0 382.507 6.290 50 0 GKAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000017013420 570924216 /nfs/dbraw/zinc/92/42/16/570924216.db2.gz YVKJTCTWSABBIL-UHFFFAOYSA-N 0 0 397.482 5.000 50 0 GKAARN CCCCc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000004589473 570924560 /nfs/dbraw/zinc/92/45/60/570924560.db2.gz FPWGWBJSIYNISI-AQTBWJFISA-N 0 0 384.273 5.136 50 0 GKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1C ZINC000017053200 570925474 /nfs/dbraw/zinc/92/54/74/570925474.db2.gz DPTIKMNEBMRPQO-UHFFFAOYSA-N 0 0 386.904 5.651 50 0 GKAARN Cc1nc2c(Oc3ccccc3)cccc2c2c1CCN2c1ccc(C(C)C)cc1 ZINC000004053873 570925814 /nfs/dbraw/zinc/92/58/14/570925814.db2.gz GUNJEAPVKBNUMO-UHFFFAOYSA-N 0 0 394.518 7.153 50 0 GKAARN Fc1ccc(/C=C/c2nc3ccc(OC(F)(F)F)cc3c3c2CCS3)cc1 ZINC000004053541 570925888 /nfs/dbraw/zinc/92/58/88/570925888.db2.gz LFDZKYHUANNPCC-XVNBXDOJSA-N 0 0 391.389 6.091 50 0 GKAARN Fc1ccccc1/C=C/c1nc2ccc(OC(F)(F)F)cc2c2c1CCS2 ZINC000004053539 570925992 /nfs/dbraw/zinc/92/59/92/570925992.db2.gz XHEKOUWQVZQTKA-FNORWQNLSA-N 0 0 391.389 6.091 50 0 GKAARN O=C(NCc1cccc(COCc2ccco2)c1)c1cccc(Cl)c1Cl ZINC000032915089 570926156 /nfs/dbraw/zinc/92/61/56/570926156.db2.gz BORWDGIRVITDFQ-UHFFFAOYSA-N 0 0 390.266 5.233 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000032915367 570926463 /nfs/dbraw/zinc/92/64/63/570926463.db2.gz AVWSAVPNOFOROB-RKVPGOIHSA-N 0 0 390.474 5.129 50 0 GKAARN CCCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000032915545 570926493 /nfs/dbraw/zinc/92/64/93/570926493.db2.gz FGCSHINLZUGQIY-UHFFFAOYSA-N 0 0 391.393 5.003 50 0 GKAARN O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(-n2cccc2)cc1 ZINC000218551541 570926740 /nfs/dbraw/zinc/92/67/40/570926740.db2.gz JOHLVDQUYSCINF-UHFFFAOYSA-N 0 0 384.464 5.106 50 0 GKAARN Cc1ccc(Cn2cc(SCC(=O)N3CCC(C)CC3)c3ccccc32)cc1 ZINC000004059707 570926783 /nfs/dbraw/zinc/92/67/83/570926783.db2.gz WXMUXADUNRJTEE-UHFFFAOYSA-N 0 0 392.568 5.349 50 0 GKAARN Cc1ccccc1Cn1cc(SCC(=O)N2CCC(C)CC2)c2ccccc21 ZINC000004059696 570926804 /nfs/dbraw/zinc/92/68/04/570926804.db2.gz UZSCKYZCTAHABF-UHFFFAOYSA-N 0 0 392.568 5.349 50 0 GKAARN Cc1cc(Cl)c(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c2cccnc12 ZINC000032915706 570926927 /nfs/dbraw/zinc/92/69/27/570926927.db2.gz RQVXQZLHPGDFSX-UHFFFAOYSA-N 0 0 395.890 5.434 50 0 GKAARN O=C(NCCn1cc(SCc2ccccc2)c2ccccc21)c1ccccc1 ZINC000004059787 570927162 /nfs/dbraw/zinc/92/71/62/570927162.db2.gz YMZGYLXSQREJIY-UHFFFAOYSA-N 0 0 386.520 5.364 50 0 GKAARN O=C(CSCc1ccccc1)Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000004062976 570928254 /nfs/dbraw/zinc/92/82/54/570928254.db2.gz CNZOORAHMXBYKZ-UHFFFAOYSA-N 0 0 391.521 5.230 50 0 GKAARN Cc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000051330362 570928269 /nfs/dbraw/zinc/92/82/69/570928269.db2.gz LKLUMFVPFBRWSF-YYZXQNNUSA-N 0 0 392.546 7.104 50 0 GKAARN CCCOc1ccc(-c2csc(NC(=O)c3cccc4ccccc43)n2)cc1 ZINC000004070251 570928605 /nfs/dbraw/zinc/92/86/05/570928605.db2.gz HOPRNSDWPVZDNY-UHFFFAOYSA-N 0 0 388.492 6.004 50 0 GKAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1ccc2[nH]cnc2c1 ZINC000263587030 570928626 /nfs/dbraw/zinc/92/86/26/570928626.db2.gz BFGJBDAFUUBGAK-QHCPKHFHSA-N 0 0 380.451 5.136 50 0 GKAARN Cc1nc(-c2cccnc2)sc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000016625398 570928766 /nfs/dbraw/zinc/92/87/66/570928766.db2.gz NXZUXCLLGCPQSX-UHFFFAOYSA-N 0 0 385.492 5.033 50 0 GKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004071238 570929039 /nfs/dbraw/zinc/92/90/39/570929039.db2.gz DCHVMXOFTNCIKZ-UHFFFAOYSA-N 0 0 392.867 5.433 50 0 GKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl ZINC000004072190 570929455 /nfs/dbraw/zinc/92/94/55/570929455.db2.gz YUKSEIJYTFGWNQ-UHFFFAOYSA-N 0 0 384.675 5.418 50 0 GKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1CCCCC1 ZINC000004072479 570929892 /nfs/dbraw/zinc/92/98/92/570929892.db2.gz LOMOYRLPEVPGBT-UHFFFAOYSA-N 0 0 378.497 6.121 50 0 GKAARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc(F)c1 ZINC000004072672 570929893 /nfs/dbraw/zinc/92/98/93/570929893.db2.gz LYFVZVOADQSHNJ-UHFFFAOYSA-N 0 0 390.439 5.994 50 0 GKAARN Cc1cc(C)c(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)c(C)c1 ZINC000004079197 570930357 /nfs/dbraw/zinc/93/03/57/570930357.db2.gz VXWWYXWKFOIMJJ-UHFFFAOYSA-N 0 0 390.464 5.094 50 0 GKAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000000935613 570930502 /nfs/dbraw/zinc/93/05/02/570930502.db2.gz RKUJZBDKBOOHDO-INIZCTEOSA-N 0 0 395.886 5.730 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2cccs2)cs1 ZINC000004079310 570930722 /nfs/dbraw/zinc/93/07/22/570930722.db2.gz VYPWHYAEHPUERN-UHFFFAOYSA-N 0 0 385.297 5.196 50 0 GKAARN COc1cccc(-c2nc(=S)c3c(n2CCc2ccccc2)CCCC3)c1 ZINC000001061612 570930851 /nfs/dbraw/zinc/93/08/51/570930851.db2.gz YVOMPVBGEYHCOS-UHFFFAOYSA-N 0 0 376.525 5.410 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)c(Br)c1 ZINC000001118676 570931334 /nfs/dbraw/zinc/93/13/34/570931334.db2.gz HZIAMIORNBBFEV-UHFFFAOYSA-N 0 0 376.294 5.073 50 0 GKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000001122429 570931870 /nfs/dbraw/zinc/93/18/70/570931870.db2.gz OZQKOSMPAAMOGD-UHFFFAOYSA-N 0 0 380.875 5.880 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC000002073531 570932333 /nfs/dbraw/zinc/93/23/33/570932333.db2.gz XCWPTGFBNKEXEH-JOCHJYFZSA-N 0 0 388.467 5.080 50 0 GKAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Br)c1 ZINC000001787248 570932384 /nfs/dbraw/zinc/93/23/84/570932384.db2.gz SRLSJNRRAPHGAF-OAHLLOKOSA-N 0 0 396.284 5.522 50 0 GKAARN Cc1cc(NC(=O)[C@H](Sc2nc3ccccc3s2)c2ccccc2)no1 ZINC000016743592 570932576 /nfs/dbraw/zinc/93/25/76/570932576.db2.gz KKHQADAKGBQSKZ-QGZVFWFLSA-N 0 0 381.482 5.065 50 0 GKAARN Cc1ccc(-c2cc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1 ZINC000012635911 570932628 /nfs/dbraw/zinc/93/26/28/570932628.db2.gz DXGPMZFZTCLECB-UHFFFAOYSA-N 0 0 394.902 5.432 50 0 GKAARN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Cl)cc2Cl)cc1C ZINC000001863321 570932765 /nfs/dbraw/zinc/93/27/65/570932765.db2.gz KOQVMOHYDZHJRW-UHFFFAOYSA-N 0 0 380.271 5.072 50 0 GKAARN COc1ccc(Cl)cc1S(=O)(=O)N(C1CCCCC1)C1CCCCC1 ZINC000003017427 570934292 /nfs/dbraw/zinc/93/42/92/570934292.db2.gz RKHSSNOSEWBGLH-UHFFFAOYSA-N 0 0 385.957 5.005 50 0 GKAARN CCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)O[C@@H](C)CCCCCC ZINC000016892075 570934311 /nfs/dbraw/zinc/93/43/11/570934311.db2.gz RLRMXWDXPLINPJ-BGYRXZFFSA-N 0 0 390.564 6.718 50 0 GKAARN CCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OCC ZINC000002082196 570934724 /nfs/dbraw/zinc/93/47/24/570934724.db2.gz VUEFJFHSRIKSSQ-PDGQHHTCSA-N 0 0 399.874 5.180 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000016902567 570934938 /nfs/dbraw/zinc/93/49/38/570934938.db2.gz VVEHKXIPUDGGFD-LJQANCHMSA-N 0 0 375.516 5.364 50 0 GKAARN O=C(CCCSCc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 ZINC000010616953 570936643 /nfs/dbraw/zinc/93/66/43/570936643.db2.gz ZEOQNUWYWPGYHX-UHFFFAOYSA-N 0 0 396.537 5.355 50 0 GKAARN COc1ccc(Cl)cc1Nc1nc(-c2cccc(C)c2)nc2ccccc21 ZINC000017014747 570937046 /nfs/dbraw/zinc/93/70/46/570937046.db2.gz NTFMXAJANAGODP-UHFFFAOYSA-N 0 0 375.859 6.011 50 0 GKAARN FC(F)(F)c1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000017027696 570937382 /nfs/dbraw/zinc/93/73/82/570937382.db2.gz QQVKYZBYXTUPBV-UHFFFAOYSA-N 0 0 399.803 6.713 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1ccc(F)cc1Cl ZINC000032925811 570938585 /nfs/dbraw/zinc/93/85/85/570938585.db2.gz TTXLLTHGVLFCSR-UHFFFAOYSA-N 0 0 397.837 5.684 50 0 GKAARN CCCc1cc(=O)oc2cc(C)c3c(-c4ccc(Br)cc4)coc3c12 ZINC000002091506 570940046 /nfs/dbraw/zinc/94/00/46/570940046.db2.gz JMBGOPQMZRUNRQ-UHFFFAOYSA-N 0 0 397.268 6.230 50 0 biogenic GKAARN Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000017078770 570940039 /nfs/dbraw/zinc/94/00/39/570940039.db2.gz QMGZZKXCLSWBJE-BBEGDGIKSA-N 0 0 385.891 5.235 50 0 GKAARN Cc1c2cc3c(cc2oc(=O)c1C(C)C)occ3-c1ccc(Br)cc1 ZINC000002093348 570940526 /nfs/dbraw/zinc/94/05/26/570940526.db2.gz ZWLABPRZCUUTKY-UHFFFAOYSA-N 0 0 397.268 6.401 50 0 biogenic GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)c(F)c4)c(C)c3cc12 ZINC000002093257 570940551 /nfs/dbraw/zinc/94/05/51/570940551.db2.gz KWXJEXYBXDHDEZ-UHFFFAOYSA-N 0 0 397.377 5.006 50 0 biogenic GKAARN Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000017080329 570940733 /nfs/dbraw/zinc/94/07/33/570940733.db2.gz KAJXPYJPYWIFDC-UHFFFAOYSA-N 0 0 393.317 7.130 50 0 GKAARN COc1ccc(CN(CC[C@@H](c2ccco2)C(C)C)C(=O)c2ccco2)cc1 ZINC000002094186 570940825 /nfs/dbraw/zinc/94/08/25/570940825.db2.gz ZQKIDVGIXIUCTO-HXUWFJFHSA-N 0 0 381.472 5.354 50 0 biogenic GKAARN C[C@H](c1ccccc1)n1c(=S)[nH]nc1-c1csc2c1CC[C@@H](C(C)(C)C)C2 ZINC000017081375 570941211 /nfs/dbraw/zinc/94/12/11/570941211.db2.gz QGSCAHUGMPRDBW-GDBMZVCRSA-N 0 0 397.613 6.429 50 0 GKAARN Cc1cccc(-c2nc(CNC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)cs2)c1 ZINC000017080707 570941257 /nfs/dbraw/zinc/94/12/57/570941257.db2.gz KQIKSPGRTXALGX-MDQWUCQQSA-N 0 0 394.584 5.731 50 0 GKAARN CCc1ccccc1NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000002096035 570941309 /nfs/dbraw/zinc/94/13/09/570941309.db2.gz XXGPZHMNPIUTAT-UHFFFAOYSA-N 0 0 389.451 5.290 50 0 biogenic GKAARN CC[C@H](C)N(C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)[C@@H](C)CC ZINC000017080745 570941297 /nfs/dbraw/zinc/94/12/97/570941297.db2.gz HWDHGGPBSNQTHI-IRXDYDNUSA-N 0 0 394.946 6.594 50 0 GKAARN Cc1cc(-c2nnc(SCc3csc(-c4ccccc4C)n3)n2C)cs1 ZINC000017081608 570941320 /nfs/dbraw/zinc/94/13/20/570941320.db2.gz JAGAFNYGTJXBSU-UHFFFAOYSA-N 0 0 398.582 5.576 50 0 GKAARN Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c(C)c1 ZINC000017112219 570941800 /nfs/dbraw/zinc/94/18/00/570941800.db2.gz HYKBBVQYSHMOIS-UHFFFAOYSA-N 0 0 388.880 5.031 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(-c3ccccn3)c2C)c(Br)c1 ZINC000165359037 570942111 /nfs/dbraw/zinc/94/21/11/570942111.db2.gz YRYOLCKXCAAERG-UHFFFAOYSA-N 0 0 381.273 5.380 50 0 GKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC[C@H]1c1ccsc1 ZINC000047166083 570944941 /nfs/dbraw/zinc/94/49/41/570944941.db2.gz YCVHJRUJKGQQGO-KRWDZBQOSA-N 0 0 388.945 5.431 50 0 GKAARN COc1ccc(CNc2nc(C)nc3scc(-c4cccs4)c32)cc1O ZINC000032932660 570945695 /nfs/dbraw/zinc/94/56/95/570945695.db2.gz DVXZMGDFDFNIMS-UHFFFAOYSA-N 0 0 383.498 5.055 50 0 GKAARN Cc1c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)oc2c1C(=O)CC(C)(C)C2 ZINC000032932253 570946939 /nfs/dbraw/zinc/94/69/39/570946939.db2.gz LQUIBRJZSHASDB-UHFFFAOYSA-N 0 0 398.459 5.258 50 0 GKAARN CCOc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271108 570947055 /nfs/dbraw/zinc/94/70/55/570947055.db2.gz IDXIPPCHAZPXTQ-DBVUQKKJSA-N 0 0 388.305 5.482 50 0 GKAARN Clc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000004733593 570947698 /nfs/dbraw/zinc/94/76/98/570947698.db2.gz GFDWWYBVXNRTNW-UHFFFAOYSA-N 0 0 377.831 5.170 50 0 aggregator GKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)SCc1ccc(F)cc1Br ZINC000012669881 570947819 /nfs/dbraw/zinc/94/78/19/570947819.db2.gz OGPZXHIABMXLOY-CYBMUJFWSA-N 0 0 396.325 5.465 50 0 GKAARN Cc1cccn2c1nc(-c1ccc(N3CCOCC3)cc1)c2Nc1ccccc1C ZINC000004733725 570948100 /nfs/dbraw/zinc/94/81/00/570948100.db2.gz QNRCDSSDMGOIPI-UHFFFAOYSA-N 0 0 398.510 5.198 50 0 GKAARN Cc1ccc(Nc2c(-c3ccsc3)nc3ccc(Br)cn32)cc1 ZINC000004733925 570948173 /nfs/dbraw/zinc/94/81/73/570948173.db2.gz GGPXDJAETDUESH-UHFFFAOYSA-N 0 0 384.302 5.877 50 0 GKAARN CCCc1cc2c(cc1OC)oc(C)c(-c1ccc(C(=O)OCC)o1)c2=S ZINC000002105702 570948416 /nfs/dbraw/zinc/94/84/16/570948416.db2.gz BMVXGMOUQUAFCE-UHFFFAOYSA-N 0 0 386.469 5.869 50 0 biogenic GKAARN COc1ccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000004734293 570948701 /nfs/dbraw/zinc/94/87/01/570948701.db2.gz ODBVJFUCLQPJPN-UHFFFAOYSA-N 0 0 384.361 5.167 50 0 GKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004734243 570948754 /nfs/dbraw/zinc/94/87/54/570948754.db2.gz JNDODOZLNCGOEC-UHFFFAOYSA-N 0 0 394.565 6.006 50 0 GKAARN O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1ncoc1-c1cccs1 ZINC000170640720 570949063 /nfs/dbraw/zinc/94/90/63/570949063.db2.gz RFZLTXJXVQJLKM-UHFFFAOYSA-N 0 0 392.402 5.231 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccc(Br)cn32)cc1 ZINC000004735134 570949069 /nfs/dbraw/zinc/94/90/69/570949069.db2.gz TUIRCMZEUJSQQQ-UHFFFAOYSA-N 0 0 394.272 5.521 50 0 GKAARN CSc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735064 570949096 /nfs/dbraw/zinc/94/90/96/570949096.db2.gz YPUYVZWLIWMGEJ-UHFFFAOYSA-N 0 0 389.480 5.504 50 0 GKAARN CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733510 570949440 /nfs/dbraw/zinc/94/94/40/570949440.db2.gz OXSMCUAZKBOITH-UHFFFAOYSA-N 0 0 379.916 6.429 50 0 GKAARN Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4CC=C[C@@H](C)[C@@H]4C3=O)cc2)c1 ZINC000017986799 570949516 /nfs/dbraw/zinc/94/95/16/570949516.db2.gz VEKPZUHOSGVOGN-FHZYATBESA-N 0 0 389.495 5.612 50 0 GKAARN O=[S@@](c1ccccc1)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000004533190 570949769 /nfs/dbraw/zinc/94/97/69/570949769.db2.gz PWHSAHSCUGZTCX-IXCJQBJRSA-N 0 0 382.528 6.368 50 0 GKAARN Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3ccc(Cl)cc3C)c1-2 ZINC000018022850 570949971 /nfs/dbraw/zinc/94/99/71/570949971.db2.gz WXZFEJVIIXVMJQ-QOCHGBHMSA-N 0 0 386.973 6.640 50 0 GKAARN O=C1OC(c2ccccc2)=C/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000000684830 570950077 /nfs/dbraw/zinc/95/00/77/570950077.db2.gz UXJHMAMQICIARY-VBKFSLOCSA-N 0 0 393.236 5.690 50 0 GKAARN Cc1ccc(NC(=O)c2c(Cl)sc3cc(F)ccc32)c(Br)c1 ZINC000001267564 570951351 /nfs/dbraw/zinc/95/13/51/570951351.db2.gz NHEXHZJVLFLFJS-UHFFFAOYSA-N 0 0 398.684 6.017 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020603716 570951668 /nfs/dbraw/zinc/95/16/68/570951668.db2.gz DYZDTIKUAQQWPG-UHFFFAOYSA-N 0 0 397.856 6.354 50 0 GKAARN N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(F)c2)[C@H]1c1cccc(F)c1 ZINC000000989241 570953204 /nfs/dbraw/zinc/95/32/04/570953204.db2.gz QPGNCYVEKXRXQZ-KGGGBHMPSA-N 0 0 376.406 5.294 50 0 GKAARN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000002119202 570953287 /nfs/dbraw/zinc/95/32/87/570953287.db2.gz FIRXDQHDUHGCLH-UHFFFAOYSA-N 0 0 380.443 6.414 50 0 biogenic GKAARN Brc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1 ZINC000095830646 570953305 /nfs/dbraw/zinc/95/33/05/570953305.db2.gz PBWATBVKPGTOTB-UHFFFAOYSA-N 0 0 397.315 6.812 50 0 GKAARN CCOc1ccccc1NC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278911 570953424 /nfs/dbraw/zinc/95/34/24/570953424.db2.gz IIZGZJRFLYUPFI-UHFFFAOYSA-N 0 0 385.423 5.055 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3c(C)noc3n2)s1 ZINC000010641847 570953662 /nfs/dbraw/zinc/95/36/62/570953662.db2.gz UEWALHLRLBKRJT-UHFFFAOYSA-N 0 0 383.860 5.474 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21 ZINC000010642258 570953677 /nfs/dbraw/zinc/95/36/77/570953677.db2.gz FVUUFHNLDHHAQJ-UHFFFAOYSA-N 0 0 393.468 5.137 50 0 GKAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)cc3)o2)cc1 ZINC000004740066 570953794 /nfs/dbraw/zinc/95/37/94/570953794.db2.gz SHQZCQZAHSGLLL-UHFFFAOYSA-N 0 0 386.245 5.182 50 0 GKAARN Cc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 ZINC000002120433 570955922 /nfs/dbraw/zinc/95/59/22/570955922.db2.gz PCKVOYVWHURJLU-UHFFFAOYSA-N 0 0 397.474 5.357 50 0 biogenic GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)ccc1C)CO3 ZINC000002122508 570956384 /nfs/dbraw/zinc/95/63/84/570956384.db2.gz VESZXRLNDXGFDV-UHFFFAOYSA-N 0 0 377.484 5.417 50 0 biogenic GKAARN Cc1cccc(C(C)C)c1N1COc2c(C)c3oc(=O)c4c(c3cc2C1)CCC4 ZINC000002122884 570956399 /nfs/dbraw/zinc/95/63/99/570956399.db2.gz QVSBKOWVVNLBPW-UHFFFAOYSA-N 0 0 389.495 5.378 50 0 biogenic GKAARN Cc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c(C)c1 ZINC000033288959 570956497 /nfs/dbraw/zinc/95/64/97/570956497.db2.gz YWBYHHNADBVXFC-UHFFFAOYSA-N 0 0 395.553 5.284 50 0 GKAARN Cc1nc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)c(C)c2)no1 ZINC000004742137 570956504 /nfs/dbraw/zinc/95/65/04/570956504.db2.gz ZOQFUXUUIBYOEF-UHFFFAOYSA-N 0 0 383.451 5.124 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)OCc1csc(-c2ccccc2)n1 ZINC000003335646 570956595 /nfs/dbraw/zinc/95/65/95/570956595.db2.gz XIENFNKOMKLJEZ-VQHVLOKHSA-N 0 0 390.291 5.874 50 0 GKAARN O=C(/C=C/c1ccccc1Cl)Nc1nnc(SCc2ccccc2)s1 ZINC000012062926 570957679 /nfs/dbraw/zinc/95/76/79/570957679.db2.gz IAJSYXRNKQDTAL-ZHACJKMWSA-N 0 0 387.917 5.136 50 0 GKAARN Cc1cc(C)cc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc32)c1 ZINC000001322506 570958192 /nfs/dbraw/zinc/95/81/92/570958192.db2.gz RJZNKXPGEYCQDT-LKUDQCMESA-N 0 0 385.419 5.383 50 0 biogenic GKAARN COc1ccccc1[C@H](CC(=O)N1CCCCC1)c1ccc(OC(C)C)cc1 ZINC000001321444 570958236 /nfs/dbraw/zinc/95/82/36/570958236.db2.gz QSJFUGWSELTKDY-JOCHJYFZSA-N 0 0 381.516 5.017 50 0 biogenic GKAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000004747050 570958642 /nfs/dbraw/zinc/95/86/42/570958642.db2.gz CEPBZLQEVWQZEN-UHFFFAOYSA-N 0 0 384.262 5.785 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccccc1 ZINC000001211826 570959418 /nfs/dbraw/zinc/95/94/18/570959418.db2.gz LVGYIVSZXKHNQG-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Br)cn21 ZINC000004126236 570960014 /nfs/dbraw/zinc/96/00/14/570960014.db2.gz VVXKMWZZOODTGL-UHFFFAOYSA-N 0 0 379.261 5.211 50 0 GKAARN CC(=O)N(CC[C@](C)(c1cccs1)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000032104248 570960621 /nfs/dbraw/zinc/96/06/21/570960621.db2.gz TUSDISOFGSIDFM-OFNKIYASSA-N 0 0 385.573 5.250 50 0 GKAARN O=C(Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1)C1CCOCC1 ZINC000208007172 570960761 /nfs/dbraw/zinc/96/07/61/570960761.db2.gz SIEBIYCYEUGLDT-UHFFFAOYSA-N 0 0 397.475 5.058 50 0 GKAARN Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)cc3F)[nH]n2)cs1 ZINC000208009109 570960791 /nfs/dbraw/zinc/96/07/91/570960791.db2.gz HGLDCHMWCGGTNI-UHFFFAOYSA-N 0 0 396.422 5.039 50 0 GKAARN CC(C)c1cc(C(N)=O)c(NC(=O)/C(=C\c2ccccc2)c2ccccc2)s1 ZINC000033293837 570961276 /nfs/dbraw/zinc/96/12/76/570961276.db2.gz RGYFKCZTEHZGMM-AQTBWJFISA-N 0 0 390.508 5.150 50 0 GKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000012176773 570961619 /nfs/dbraw/zinc/96/16/19/570961619.db2.gz ZPXMGYZOUPXGMA-UHFFFAOYSA-N 0 0 398.793 5.384 50 0 GKAARN CSc1nc2ccc3nc(NC(=O)c4c(F)cccc4F)sc3c2s1 ZINC000004134756 570961755 /nfs/dbraw/zinc/96/17/55/570961755.db2.gz LTMJBRODSHDNSP-UHFFFAOYSA-N 0 0 393.465 5.158 50 0 GKAARN CCN(CC)c1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 ZINC000004134690 570961828 /nfs/dbraw/zinc/96/18/28/570961828.db2.gz QYOGHTQHSNVURU-UHFFFAOYSA-N 0 0 393.556 5.834 50 0 GKAARN COc1ccc(-c2noc(Cc3nc(-c4cc(C)c(C)cc4C)cs3)n2)cc1 ZINC000033298202 570961941 /nfs/dbraw/zinc/96/19/41/570961941.db2.gz PNYXWRKFPHNDBE-UHFFFAOYSA-N 0 0 391.496 5.385 50 0 GKAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 ZINC000033298192 570962018 /nfs/dbraw/zinc/96/20/18/570962018.db2.gz LSRAHIYUXBAKCH-UHFFFAOYSA-N 0 0 397.887 5.503 50 0 GKAARN CCOc1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1 ZINC000033298209 570962529 /nfs/dbraw/zinc/96/25/29/570962529.db2.gz NTCXPMOQHIIQOD-UHFFFAOYSA-N 0 0 397.887 5.503 50 0 GKAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccccc4Cl)no3)n2)cc1 ZINC000033298261 570962536 /nfs/dbraw/zinc/96/25/36/570962536.db2.gz PTKRGSMPBPJFPT-UHFFFAOYSA-N 0 0 397.887 5.503 50 0 GKAARN Cc1cc(=O)oc2c3c(ccc12)oc(C(=O)c1ccccc1)c3-c1ccccc1 ZINC000002139031 570963052 /nfs/dbraw/zinc/96/30/52/570963052.db2.gz YGYCVCALMWOWEL-UHFFFAOYSA-N 0 0 380.399 5.746 50 0 biogenic GKAARN Cc1ccc(-n2c(SCc3ccc(F)c(F)c3)nnc2-c2ccco2)cc1 ZINC000004145454 570963713 /nfs/dbraw/zinc/96/37/13/570963713.db2.gz USQLYFSOQYUPGS-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN Cc1ccc(-c2nc(CN3CCCC[C@@H]3c3nc4ccccc4[nH]3)c(C)o2)o1 ZINC000019227287 570964401 /nfs/dbraw/zinc/96/44/01/570964401.db2.gz WNKWQBRKESTFKB-LJQANCHMSA-N 0 0 376.460 5.155 50 0 GKAARN CC(C)(C)CC(C)(C)Nc1c(-c2ccc(Cl)c(Cl)c2)nc2ccccn21 ZINC000004754081 570965299 /nfs/dbraw/zinc/96/52/99/570965299.db2.gz JBMNNMLOFDPPBS-UHFFFAOYSA-N 0 0 390.358 6.935 50 0 GKAARN c1ccc(CSc2ccccc2-c2ccccc2SCc2ccccc2)cc1 ZINC000002173141 570965475 /nfs/dbraw/zinc/96/54/75/570965475.db2.gz CSDWHELRRQDVNC-UHFFFAOYSA-N 0 0 398.596 7.938 50 0 GKAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000004753705 570965757 /nfs/dbraw/zinc/96/57/57/570965757.db2.gz BAZJZONMAFVJRD-ZSOIEALJSA-N 0 0 397.055 5.100 50 0 GKAARN Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)c(Cl)c3)n2)cc1Cl ZINC000004753786 570965767 /nfs/dbraw/zinc/96/57/67/570965767.db2.gz XQRHPKQKRNZATB-UHFFFAOYSA-N 0 0 385.176 5.688 50 0 GKAARN O=C(Nc1cccc(COCc2ccco2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000047603668 570965855 /nfs/dbraw/zinc/96/58/55/570965855.db2.gz MCXILGMLLNCAHV-HXUWFJFHSA-N 0 0 382.485 5.427 50 0 GKAARN COc1ccccc1/C=C/c1nc2ccc(Cl)cn2c1NC1CCCCC1 ZINC000004753961 570965812 /nfs/dbraw/zinc/96/58/12/570965812.db2.gz LLEZRIWLGGGMKM-ACCUITESSA-N 0 0 381.907 5.911 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)c1cc2nc(N3CCCCC3)sc2s1 ZINC000033301001 570965889 /nfs/dbraw/zinc/96/58/89/570965889.db2.gz MUSJYMBKRZVXMW-UHFFFAOYSA-N 0 0 391.949 5.562 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1 ZINC000004757881 570967750 /nfs/dbraw/zinc/96/77/50/570967750.db2.gz IDVUUBSHXKETRL-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2)no1 ZINC000054539604 570967732 /nfs/dbraw/zinc/96/77/32/570967732.db2.gz RJKIMOGDLYNJGU-QGZVFWFLSA-N 0 0 396.516 5.465 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1occc1COc1ccccc1 ZINC000011327384 570968103 /nfs/dbraw/zinc/96/81/03/570968103.db2.gz XWPZJEIVSDSMNO-UHFFFAOYSA-N 0 0 377.484 6.358 50 0 GKAARN CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000012225836 570968090 /nfs/dbraw/zinc/96/80/90/570968090.db2.gz OXQUINVCZJEWMU-UHFFFAOYSA-N 0 0 397.866 5.225 50 0 GKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3)cc2)nc(C)n1 ZINC000012225968 570968130 /nfs/dbraw/zinc/96/81/30/570968130.db2.gz AJELVAZJWRDVSU-UHFFFAOYSA-N 0 0 391.475 5.270 50 0 GKAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1Cl ZINC000011326471 570968307 /nfs/dbraw/zinc/96/83/07/570968307.db2.gz XSFSCXVJGGMITL-UHFFFAOYSA-N 0 0 376.790 5.153 50 0 GKAARN CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1 ZINC000004164408 570968537 /nfs/dbraw/zinc/96/85/37/570968537.db2.gz YARWAOOHYQHUQY-UHFFFAOYSA-N 0 0 385.539 5.331 50 0 aggregator GKAARN Clc1ccccc1Oc1cc(N2CCC(Cc3ccccc3)CC2)ncn1 ZINC000037377725 570969458 /nfs/dbraw/zinc/96/94/58/570969458.db2.gz RKPOLIPTMVQOIN-UHFFFAOYSA-N 0 0 379.891 5.381 50 0 GKAARN Fc1ccc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000106937396 570969534 /nfs/dbraw/zinc/96/95/34/570969534.db2.gz ZATUBCAHUWZIBY-YLJYHZDGSA-N 0 0 384.863 5.783 50 0 GKAARN CC[C@@H](C)N1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000002142738 570969914 /nfs/dbraw/zinc/96/99/14/570969914.db2.gz HOYATWODJTTXLP-KAECEXQPSA-N 0 0 389.561 5.822 50 0 GKAARN CN(C)c1ccc(-c2nc3cnccn3c2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000004763316 570970093 /nfs/dbraw/zinc/97/00/93/570970093.db2.gz BOARAYJVFQVIEH-UHFFFAOYSA-N 0 0 397.404 5.225 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccccc2)CC1 ZINC000211144868 570970221 /nfs/dbraw/zinc/97/02/21/570970221.db2.gz UFNBNTFIFNWJMG-KRWDZBQOSA-N 0 0 380.435 5.418 50 0 GKAARN O=C(c1ccc2ncsc2c1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000211146228 570970317 /nfs/dbraw/zinc/97/03/17/570970317.db2.gz ZRLWGPJLFOVWIV-KRWDZBQOSA-N 0 0 388.945 5.270 50 0 GKAARN CCCCc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)cc1 ZINC000004167404 570970359 /nfs/dbraw/zinc/97/03/59/570970359.db2.gz RTUPAPYJCVXXDA-UHFFFAOYSA-N 0 0 397.569 5.587 50 0 GKAARN COc1cc(NC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)cc(OC)c1 ZINC000033312225 570970786 /nfs/dbraw/zinc/97/07/86/570970786.db2.gz SCTHZFMAJBOCJX-UHFFFAOYSA-N 0 0 397.500 5.081 50 0 GKAARN CCc1cc(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12 ZINC000002145592 570971148 /nfs/dbraw/zinc/97/11/48/570971148.db2.gz YGHCJJRIUMESHC-UHFFFAOYSA-N 0 0 383.241 5.840 50 0 biogenic GKAARN CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc5ccccc5c4)coc3c12 ZINC000002145662 570971178 /nfs/dbraw/zinc/97/11/78/570971178.db2.gz HLJMRBYKFINSCV-UHFFFAOYSA-N 0 0 382.459 7.010 50 0 biogenic GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(Cl)c(C)c2)s1 ZINC000033312270 570971247 /nfs/dbraw/zinc/97/12/47/570971247.db2.gz WEKLEKJXMMITBG-UHFFFAOYSA-N 0 0 385.920 5.972 50 0 GKAARN CCCCCCc1c(C)c2ccc(OC(=O)c3cccc(OC)c3)cc2oc1=O ZINC000002145937 570971236 /nfs/dbraw/zinc/97/12/36/570971236.db2.gz MKJRKGUOAVMBJH-UHFFFAOYSA-N 0 0 394.467 5.452 50 0 biogenic GKAARN COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cccc(C)c3)c2)cc1 ZINC000002146234 570971528 /nfs/dbraw/zinc/97/15/28/570971528.db2.gz ZHKQDGZPGZJJAS-SLEBQGDGSA-N 0 0 399.490 6.275 50 0 biogenic GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cc(C)cc(C)c4)c(C)c3cc12 ZINC000002147458 570971680 /nfs/dbraw/zinc/97/16/80/570971680.db2.gz IWVKSGDLUCSJRZ-UHFFFAOYSA-N 0 0 389.451 5.344 50 0 biogenic GKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)cc4)c(C)c3cc2c1C ZINC000002149090 570972261 /nfs/dbraw/zinc/97/22/61/570972261.db2.gz DMTBTCKPXYNZST-UHFFFAOYSA-N 0 0 393.414 5.175 50 0 biogenic GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000012725442 570972448 /nfs/dbraw/zinc/97/24/48/570972448.db2.gz DIIMJPOZEZNLSH-UHFFFAOYSA-N 0 0 394.814 5.315 50 0 GKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000004767951 570972537 /nfs/dbraw/zinc/97/25/37/570972537.db2.gz SIRVNPAMIVHDGQ-OAQYLSRUSA-N 0 0 393.462 5.198 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045941767 570972848 /nfs/dbraw/zinc/97/28/48/570972848.db2.gz NYJIOSKTTRCDMX-HSZRJFAPSA-N 0 0 387.454 5.229 50 0 GKAARN COc1ccc(-c2coc3cc(OCc4ccccc4)ccc3c2=O)cc1OC ZINC000002152349 570973035 /nfs/dbraw/zinc/97/30/35/570973035.db2.gz TUGWZDWBCHKIQA-UHFFFAOYSA-N 0 0 388.419 5.056 50 0 biogenic GKAARN COc1ccccc1NC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208046980 570974351 /nfs/dbraw/zinc/97/43/51/570974351.db2.gz IZNZLOYOORSLQB-GOSISDBHSA-N 0 0 376.909 5.061 50 0 GKAARN Clc1cccc(Cl)c1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019319735 570974536 /nfs/dbraw/zinc/97/45/36/570974536.db2.gz VMTMXKDQFALPCR-UHFFFAOYSA-N 0 0 397.349 6.010 50 0 GKAARN COc1ccccc1NC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000208047022 570974592 /nfs/dbraw/zinc/97/45/92/570974592.db2.gz IZNZLOYOORSLQB-SFHVURJKSA-N 0 0 376.909 5.061 50 0 GKAARN CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(OC(C)C)c(OC)c1 ZINC000252495028 570975245 /nfs/dbraw/zinc/97/52/45/570975245.db2.gz OLDWECYNUSZBKQ-UHFFFAOYSA-N 0 0 381.476 5.018 50 0 GKAARN CSc1ccc(C(=O)[C@H]2CCCN(Cc3nc4ccccc4s3)C2)cc1 ZINC000019335239 570975919 /nfs/dbraw/zinc/97/59/19/570975919.db2.gz SDFJEQMIPPRAQC-INIZCTEOSA-N 0 0 382.554 5.113 50 0 GKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000085808125 570976473 /nfs/dbraw/zinc/97/64/73/570976473.db2.gz PJHFHSPMABKCJL-UHFFFAOYSA-N 0 0 397.812 6.411 50 0 GKAARN O=C1c2ccccc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 ZINC000252500434 570976618 /nfs/dbraw/zinc/97/66/18/570976618.db2.gz SVQPPIHQBQJZGX-AREMUKBSSA-N 0 0 389.454 5.668 50 0 GKAARN Cc1cc2nccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2n1 ZINC000001390005 570976817 /nfs/dbraw/zinc/97/68/17/570976817.db2.gz UAIHCGUQRNEXQH-UHFFFAOYSA-N 0 0 384.266 5.591 50 0 GKAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CCC1CCCC1)CC2 ZINC000012733404 570977341 /nfs/dbraw/zinc/97/73/41/570977341.db2.gz BBAOKTCFFDLWHY-VWLOTQADSA-N 0 0 393.527 5.148 50 0 GKAARN CC1CCN(c2cccc(NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)c2)CC1 ZINC000252502864 570977471 /nfs/dbraw/zinc/97/74/71/570977471.db2.gz UWAGCVPPZJZHHZ-QGZVFWFLSA-N 0 0 383.458 5.118 50 0 GKAARN Cc1ccc2nc(/C=C/c3ccccc3)c(CC=C(Cl)Cl)c(Cl)c2c1 ZINC000004772848 570978271 /nfs/dbraw/zinc/97/82/71/570978271.db2.gz PQZSZTSUNBDTAE-DHZHZOJOSA-N 0 0 388.725 7.229 50 0 GKAARN COc1c(F)cc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1F ZINC000083915209 570978504 /nfs/dbraw/zinc/97/85/04/570978504.db2.gz DKLLIXJMLKZDCW-UHFFFAOYSA-N 0 0 380.350 5.034 50 0 GKAARN COc1cccc(SC[C@@H]2C(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2)c1 ZINC000001394101 570978879 /nfs/dbraw/zinc/97/88/79/570978879.db2.gz BMJJVCRVUUTFJJ-GOTSBHOMSA-N 0 0 389.520 5.500 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838206 570979128 /nfs/dbraw/zinc/97/91/28/570979128.db2.gz MBJXVGWHYDSTTN-UHFFFAOYSA-N 0 0 381.357 5.501 50 0 GKAARN C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc2ccccc21 ZINC000019358379 570979476 /nfs/dbraw/zinc/97/94/76/570979476.db2.gz PNPMLXRAMHNKQE-AWEZNQCLSA-N 0 0 378.522 5.445 50 0 GKAARN Cc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3C)no2)c1 ZINC000033325010 570979535 /nfs/dbraw/zinc/97/95/35/570979535.db2.gz RXDLJMDTXZXYOK-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN CN(C)C(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000001397278 570980109 /nfs/dbraw/zinc/98/01/09/570980109.db2.gz FNXFGKQPOMAXOM-UHFFFAOYSA-N 0 0 377.296 5.486 50 0 GKAARN Cc1nn(C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)SCC(=O)N2 ZINC000044892865 570980747 /nfs/dbraw/zinc/98/07/47/570980747.db2.gz DUOYCUKOPCDFDF-NRFANRHFSA-N 0 0 393.512 5.040 50 0 GKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000001401178 570981667 /nfs/dbraw/zinc/98/16/67/570981667.db2.gz NCOHIAARDMIXNU-UHFFFAOYSA-N 0 0 398.793 5.614 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000001401192 570981987 /nfs/dbraw/zinc/98/19/87/570981987.db2.gz UIPHSVURZCSHTO-UHFFFAOYSA-N 0 0 382.794 5.735 50 0 GKAARN O=C(Nc1cccc(Cl)c1)O[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000001400732 570982047 /nfs/dbraw/zinc/98/20/47/570982047.db2.gz IIWJPQVJQNVOPW-HXUWFJFHSA-N 0 0 392.842 5.177 50 0 GKAARN COc1ccc(OCc2cnc(OCc3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000001402016 570982113 /nfs/dbraw/zinc/98/21/13/570982113.db2.gz WXAJEZPDIKTZCV-UHFFFAOYSA-N 0 0 396.295 5.617 50 0 GKAARN CC(C)(CNC(=O)Nc1ccccc1)SCc1cccc(C(F)(F)F)c1 ZINC000001401968 570982154 /nfs/dbraw/zinc/98/21/54/570982154.db2.gz AOKCAOSSHDCCAS-UHFFFAOYSA-N 0 0 382.451 5.539 50 0 GKAARN Cc1nn(C)c(C)c1NC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 ZINC000044903643 570982337 /nfs/dbraw/zinc/98/23/37/570982337.db2.gz BSOCSBTYIMIMRY-UHFFFAOYSA-N 0 0 398.919 5.007 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=S)Nc2ccc(C)cc2)C1(C)C ZINC000001404503 570982561 /nfs/dbraw/zinc/98/25/61/570982561.db2.gz AXSPFAFQZCVKTR-DENIHFKCSA-N 0 0 391.584 5.901 50 0 GKAARN O=c1c2ccccc2nc2n1[C@@H](CSc1cccc(Cl)c1Cl)CS2 ZINC000001405477 570982617 /nfs/dbraw/zinc/98/26/17/570982617.db2.gz MTKHZSWEHXTKGO-JTQLQIEISA-N 0 0 395.336 5.142 50 0 GKAARN CCCn1c(=O)cc(C(F)(F)F)nc1SCc1ccc(Cl)c(Cl)c1 ZINC000001403059 570982705 /nfs/dbraw/zinc/98/27/05/570982705.db2.gz PWFVAOGULQAKHF-UHFFFAOYSA-N 0 0 397.249 5.271 50 0 GKAARN COc1ccc2oc([C@H](C)NC(=O)[C@H]3CCCO[C@H]3c3ccccc3)c(C)c2c1 ZINC000252514753 570982713 /nfs/dbraw/zinc/98/27/13/570982713.db2.gz DHWRAXAIODYMCT-NVVBAYIOSA-N 0 0 393.483 5.095 50 0 GKAARN C(=C/c1ccccc1)\C1=NN(c2ccc3ccccc3n2)[C@@H](c2ccccc2)C1 ZINC000004181878 570983090 /nfs/dbraw/zinc/98/30/90/570983090.db2.gz BRJBHMDMQPJXDJ-YEXLONIWSA-N 0 0 375.475 6.256 50 0 GKAARN O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)NCc1cccs1 ZINC000001406441 570983592 /nfs/dbraw/zinc/98/35/92/570983592.db2.gz BJCDEVQIXLVLMS-DHZHZOJOSA-N 0 0 383.900 5.310 50 0 GKAARN COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2C)cc1 ZINC000004184606 570984642 /nfs/dbraw/zinc/98/46/42/570984642.db2.gz UNCGESFPNQLEHV-UHFFFAOYSA-N 0 0 387.508 5.544 50 0 GKAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000004778103 570985285 /nfs/dbraw/zinc/98/52/85/570985285.db2.gz WNXGJMHAISKNPH-UHFFFAOYSA-N 0 0 383.831 5.402 50 0 GKAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 ZINC000033328635 570985339 /nfs/dbraw/zinc/98/53/39/570985339.db2.gz OZUHQIICTODGIV-UHFFFAOYSA-N 0 0 375.859 5.373 50 0 GKAARN CC(=O)N1CCc2cc(Nc3nc(-c4ccsc4)nc4ccccc43)ccc21 ZINC000012741340 570985550 /nfs/dbraw/zinc/98/55/50/570985550.db2.gz MIVFFNHWLRRCFJ-UHFFFAOYSA-N 0 0 386.480 5.011 50 0 GKAARN CC(C)c1nc(NC(=O)c2ccccc2)sc1-c1nc(-c2ccccc2)no1 ZINC000033331296 570987182 /nfs/dbraw/zinc/98/71/82/570987182.db2.gz WRSCEOZLVFZCGM-UHFFFAOYSA-N 0 0 390.468 5.236 50 0 GKAARN Cc1nc(NC(=O)c2ccc(C)cc2)sc1-c1nc(-c2cccc(C)c2)no1 ZINC000033331319 570987276 /nfs/dbraw/zinc/98/72/76/570987276.db2.gz QPYBIRMJJVUKAP-UHFFFAOYSA-N 0 0 390.468 5.038 50 0 GKAARN Cc1nc(-c2ccc(NC(=O)c3cc(F)ccc3Br)cc2)cs1 ZINC000012744232 570987525 /nfs/dbraw/zinc/98/75/25/570987525.db2.gz YNJSFUFRNWUZOE-UHFFFAOYSA-N 0 0 391.265 5.272 50 0 GKAARN Cc1nc(NC(=O)c2cccc(C)c2)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033331359 570987490 /nfs/dbraw/zinc/98/74/90/570987490.db2.gz RLUQFWDASXNDTE-UHFFFAOYSA-N 0 0 390.468 5.038 50 0 GKAARN CCCc1nc(-c2cc3cc(C)ccc3nc2NCc2ccccc2OC)no1 ZINC000033331393 570987557 /nfs/dbraw/zinc/98/75/57/570987557.db2.gz PNSIGWNACKHLLC-UHFFFAOYSA-N 0 0 388.471 5.166 50 0 GKAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2ccccc2C(F)(F)F)no1 ZINC000033331499 570987627 /nfs/dbraw/zinc/98/76/27/570987627.db2.gz BWBQIMVEVXBVDU-UHFFFAOYSA-N 0 0 398.388 5.533 50 0 GKAARN Cc1nc(-c2cc3cc(C)ccc3nc2NCc2ccc(C(F)(F)F)cc2)no1 ZINC000033331506 570987651 /nfs/dbraw/zinc/98/76/51/570987651.db2.gz KOMXOVOQWNFQJS-UHFFFAOYSA-N 0 0 398.388 5.533 50 0 GKAARN C(=C/c1ccccc1)\CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000051353964 570987965 /nfs/dbraw/zinc/98/79/65/570987965.db2.gz POQBKKASONKVOF-XNTDXEJSSA-N 0 0 383.520 5.664 50 0 GKAARN Clc1cccc(N=C2Nc3cc4c(cc3[C@@H](c3ccccc3)O2)OCCO4)c1 ZINC000004784382 570988413 /nfs/dbraw/zinc/98/84/13/570988413.db2.gz ZVDXTADLWFEWGX-OAQYLSRUSA-N 0 0 392.842 5.330 50 0 GKAARN COc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000004784131 570988667 /nfs/dbraw/zinc/98/86/67/570988667.db2.gz QVHJCXSYPCDGIG-UHFFFAOYSA-N 0 0 395.764 5.880 50 0 GKAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C\c1cccs1 ZINC000033333802 570989001 /nfs/dbraw/zinc/98/90/01/570989001.db2.gz TUSHLJXDBQFABA-KTKRTIGZSA-N 0 0 383.494 5.224 50 0 GKAARN COc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)/C=C/c3ccccc3)c3ccccc32)cc1 ZINC000004785766 570989800 /nfs/dbraw/zinc/98/98/00/570989800.db2.gz QYLTWQIUZBAIQP-ZQQIIOJXSA-N 0 0 398.506 5.687 50 0 GKAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccccc1 ZINC000004786384 570989824 /nfs/dbraw/zinc/98/98/24/570989824.db2.gz RWNDMLCBPVPLQX-UHFFFAOYSA-N 0 0 391.496 5.356 50 0 GKAARN Cc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1C ZINC000004785986 570989870 /nfs/dbraw/zinc/98/98/70/570989870.db2.gz JYRCJIXSBUWKPH-LNVKXUELSA-N 0 0 380.582 6.603 50 0 GKAARN Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cnn1C(C)C ZINC000252538936 570992606 /nfs/dbraw/zinc/99/26/06/570992606.db2.gz NJUMCSUVFXWLFV-INIZCTEOSA-N 0 0 394.494 5.015 50 0 GKAARN O=C(Cc1cccc2ccccc21)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000004790881 570992806 /nfs/dbraw/zinc/99/28/06/570992806.db2.gz ZWXJLHRGSPCYFD-UHFFFAOYSA-N 0 0 377.447 5.336 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2ccc(OC)cc2)nc2cc(C)ccn21)c1ccccc1 ZINC000004791068 570993193 /nfs/dbraw/zinc/99/31/93/570993193.db2.gz HIULARRMKMMHIH-NRFANRHFSA-N 0 0 399.494 5.451 50 0 GKAARN O=C(Nc1ccccc1C(=O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000051354211 570993375 /nfs/dbraw/zinc/99/33/75/570993375.db2.gz XGEMJRLKXBQMCA-UHFFFAOYSA-N 0 0 384.357 5.580 50 0 GKAARN CSc1ccc(OC2=N/C(=C/c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000002179693 570993310 /nfs/dbraw/zinc/99/33/10/570993310.db2.gz IDUTYAYAOHARGJ-LTGZKZEYSA-N 0 0 386.476 5.231 50 0 GKAARN CCOC(=O)c1sc(NC(=O)C(c2ccccc2)c2ccccc2)cc1C ZINC000004194696 570993444 /nfs/dbraw/zinc/99/34/44/570993444.db2.gz NICFYKRQNQGQQM-UHFFFAOYSA-N 0 0 379.481 5.004 50 0 GKAARN Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3cccc(Cl)c3)nc12 ZINC000004794034 570993670 /nfs/dbraw/zinc/99/36/70/570993670.db2.gz HARPVOXKFUXZTA-UHFFFAOYSA-N 0 0 391.858 5.478 50 0 GKAARN COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(OC)c1 ZINC000004194720 570993977 /nfs/dbraw/zinc/99/39/77/570993977.db2.gz BITKRVMQDIDREI-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 ZINC000004194730 570994049 /nfs/dbraw/zinc/99/40/49/570994049.db2.gz QQRGHJHPFKBGQA-UHFFFAOYSA-N 0 0 398.409 6.234 50 0 GKAARN CCc1ccccc1NC(=O)c1c(C)c(Cl)c(C)nc1Oc1ccc(F)cc1 ZINC000002192402 570994503 /nfs/dbraw/zinc/99/45/03/570994503.db2.gz YXNMCBCBEMMZKL-UHFFFAOYSA-N 0 0 398.865 6.098 50 0 GKAARN CO[C@@](F)(C(=O)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(F)(F)F ZINC000002192118 570994538 /nfs/dbraw/zinc/99/45/38/570994538.db2.gz NCMJCEODLBBSIV-KRWDZBQOSA-N 0 0 396.446 5.480 50 0 GKAARN CCCCSc1nnc(-c2ccc(NC(=O)/C=C\c3ccccc3)cc2)n1C 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Cc1cccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCC3)c1 ZINC000045933140 571002581 /nfs/dbraw/zinc/00/25/81/571002581.db2.gz BBRYEXWLTZMMDZ-UHFFFAOYSA-N 0 0 382.916 5.191 50 0 GKAARN Cc1cccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCC3)c1 ZINC000045933147 571002632 /nfs/dbraw/zinc/00/26/32/571002632.db2.gz NJTKGSFTDHQTTL-UHFFFAOYSA-N 0 0 396.943 5.581 50 0 GKAARN O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCC2 ZINC000045932975 571002697 /nfs/dbraw/zinc/00/26/97/571002697.db2.gz NIWDBGRSXJHVMJ-UHFFFAOYSA-N 0 0 386.879 5.022 50 0 GKAARN Cc1cccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)c1 ZINC000045933002 571002708 /nfs/dbraw/zinc/00/27/08/571002708.db2.gz LKXHYNDWEXSIRJ-UHFFFAOYSA-N 0 0 396.943 5.581 50 0 GKAARN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1Nc1ccc(Cl)cc1 ZINC000002204442 571002881 /nfs/dbraw/zinc/00/28/81/571002881.db2.gz MZKLAJZETJJALC-UHFFFAOYSA-N 0 0 376.891 5.973 50 0 GKAARN O=C1C(=O)N(Cc2ccccc2Cl)[C@@H](c2ccc(F)cc2)C1c1ccccc1 ZINC000045941360 571003076 /nfs/dbraw/zinc/00/30/76/571003076.db2.gz 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CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045941795 571003502 /nfs/dbraw/zinc/00/35/02/571003502.db2.gz DIOONVQETYOYOQ-VWLOTQADSA-N 0 0 397.518 5.653 50 0 GKAARN Cc1ccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045941565 571003546 /nfs/dbraw/zinc/00/35/46/571003546.db2.gz HTJDLTSDVSOCSJ-QHCPKHFHSA-N 0 0 387.454 5.495 50 0 GKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045941793 571003577 /nfs/dbraw/zinc/00/35/77/571003577.db2.gz DIOONVQETYOYOQ-RUZDIDTESA-N 0 0 397.518 5.653 50 0 GKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000045942443 571003788 /nfs/dbraw/zinc/00/37/88/571003788.db2.gz OEATXZDKCCLOEM-HSZRJFAPSA-N 0 0 387.454 5.754 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045941893 571003792 /nfs/dbraw/zinc/00/37/92/571003792.db2.gz FAORQNYMYQYHLS-JOCHJYFZSA-N 0 0 389.882 6.014 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045941894 571003823 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O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(F)ccc1F ZINC000045943149 571004713 /nfs/dbraw/zinc/00/47/13/571004713.db2.gz PIGDTNLTQNGTIT-UHFFFAOYSA-N 0 0 380.803 5.004 50 0 GKAARN COCCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccccc1 ZINC000045943932 571005081 /nfs/dbraw/zinc/00/50/81/571005081.db2.gz OHZZJVKEXNHGOP-UHFFFAOYSA-N 0 0 396.899 5.146 50 0 GKAARN CC[C@@H](C(=O)NC1CC1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398137 571005128 /nfs/dbraw/zinc/00/51/28/571005128.db2.gz INUPLAMLLIMDGF-FQEVSTJZSA-N 0 0 395.934 5.127 50 0 GKAARN COc1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c(OC)cc1Cl ZINC000012753659 571006006 /nfs/dbraw/zinc/00/60/06/571006006.db2.gz FGSDZRMKTQMRHG-GFCCVEGCSA-N 0 0 398.890 5.216 50 0 GKAARN Cc1cccc(NC(=O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1 ZINC000037398382 571006167 /nfs/dbraw/zinc/00/61/67/571006167.db2.gz GABSXDMUWSNFMI-UHFFFAOYSA-N 0 0 389.886 5.228 50 0 GKAARN COc1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c(OC)cc1Cl ZINC000012753664 571006174 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/nfs/dbraw/zinc/17/64/91/210176491.db2.gz FQARDLYJJUJJID-UHFFFAOYSA-N 0 0 389.373 5.545 50 0 GKAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)c1 ZINC000015865692 210176293 /nfs/dbraw/zinc/17/62/93/210176293.db2.gz BVICZSRZTNZFEA-VWLOTQADSA-N 0 0 380.491 5.573 50 0 GKAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000015866712 210176176 /nfs/dbraw/zinc/17/61/76/210176176.db2.gz QMHSNBUUOVCMFT-SFHVURJKSA-N 0 0 377.575 5.288 50 0 GKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(Br)cc2)s1 ZINC000015867063 210175872 /nfs/dbraw/zinc/17/58/72/210175872.db2.gz RGRHDFYSNJHNTI-INIZCTEOSA-N 0 0 393.350 5.968 50 0 GKAARN COc1cc(OC)c(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1Cl ZINC000015867030 210175603 /nfs/dbraw/zinc/17/56/03/210175603.db2.gz UQHMWQZCIBMQIP-HNNXBMFYSA-N 0 0 394.924 5.568 50 0 GKAARN CCCCOc1ccc(NC(=O)c2ccccc2OCCC)c2cccnc12 ZINC000015841161 210174876 /nfs/dbraw/zinc/17/48/76/210174876.db2.gz CAZPBGSWGVJQPC-UHFFFAOYSA-N 0 0 378.472 5.455 50 0 GKAARN CC(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)nc(SCC(C)C)n2)cc1 ZINC000015859167 210174530 /nfs/dbraw/zinc/17/45/30/210174530.db2.gz CETPAHJJTSZHIX-UHFFFAOYSA-N 0 0 391.540 6.146 50 0 GKAARN Cc1c(C)n(C2CCCCC2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000015842398 210173986 /nfs/dbraw/zinc/17/39/86/210173986.db2.gz CSJBQSJAZIWVAD-UHFFFAOYSA-N 0 0 379.895 5.521 50 0 GKAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1sc2ccccc2c1Cl ZINC000015859873 210174001 /nfs/dbraw/zinc/17/40/01/210174001.db2.gz MKFVQXJFIXUUCP-HNNXBMFYSA-N 0 0 388.920 5.105 50 0 GKAARN Cc1ccc(CNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)cc1 ZINC000015827516 210173475 /nfs/dbraw/zinc/17/34/75/210173475.db2.gz GDSOZRMKLRLZSZ-UHFFFAOYSA-N 0 0 383.495 5.108 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000015840174 210173548 /nfs/dbraw/zinc/17/35/48/210173548.db2.gz OFNZWUXNLWYSAJ-UHFFFAOYSA-N 0 0 378.906 5.023 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(Cl)c1 ZINC000015828415 210173357 /nfs/dbraw/zinc/17/33/57/210173357.db2.gz QCYKWOVKDBXHET-UHFFFAOYSA-N 0 0 396.277 6.097 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccc(F)c1 ZINC000015833147 210173156 /nfs/dbraw/zinc/17/31/56/210173156.db2.gz KSYXJSRVTPUBLT-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NCc1csc(-c2ccc(C)cc2)n1 ZINC000015832615 210173169 /nfs/dbraw/zinc/17/31/69/210173169.db2.gz BQIOJSVSXCJFBX-UHFFFAOYSA-N 0 0 390.508 5.720 50 0 GKAARN CCOc1ccccc1NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785121 210169743 /nfs/dbraw/zinc/16/97/43/210169743.db2.gz FPVOCGQSIPWISK-UHFFFAOYSA-N 0 0 376.387 5.285 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785069 210168760 /nfs/dbraw/zinc/16/87/60/210168760.db2.gz WLRLMCZELRHIAU-UHFFFAOYSA-N 0 0 376.387 5.203 50 0 GKAARN Fc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000015733647 210166075 /nfs/dbraw/zinc/16/60/75/210166075.db2.gz QNTTZUOWHWSJSJ-IBGZPJMESA-N 0 0 397.812 5.870 50 0 GKAARN Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1CSc1ccccc1 ZINC000015682214 210164628 /nfs/dbraw/zinc/16/46/28/210164628.db2.gz RUSKBXXZJAOEQT-UHFFFAOYSA-N 0 0 392.524 5.615 50 0 GKAARN Cc1ccccc1Cn1cc(CCC(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc21 ZINC000015678403 210162587 /nfs/dbraw/zinc/16/25/87/210162587.db2.gz VIFQXFGGROEPHB-HYBUGGRVSA-N 0 0 388.555 5.626 50 0 GKAARN CCOc1ccccc1N(CC)C(=O)c1noc2c1CSc1ccccc1-2 ZINC000015674027 210162395 /nfs/dbraw/zinc/16/23/95/210162395.db2.gz MOJSZWCLCVHSDF-UHFFFAOYSA-N 0 0 380.469 5.013 50 0 GKAARN C[C@H]1CCCC[C@H]1NC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678357 210162002 /nfs/dbraw/zinc/16/20/02/210162002.db2.gz HGJUYCWGKPKFMB-FDDCHVKYSA-N 0 0 392.518 5.456 50 0 GKAARN Cc1c(C(=O)NCCC(C)C)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671841 210160560 /nfs/dbraw/zinc/16/05/60/210160560.db2.gz RVIJZIBOUWTYCR-UHFFFAOYSA-N 0 0 397.515 5.431 50 0 biogenic GKAARN Oc1ccc(O)c(-c2cc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)c1 ZINC000015545091 210159185 /nfs/dbraw/zinc/15/91/85/210159185.db2.gz YEWYSXFJNWFRAY-UHFFFAOYSA-N 0 0 382.246 6.287 50 0 GKAARN c1csc([C@@H]2c3ccsc3CCN2Cc2nc(-c3ccccc3)no2)c1 ZINC000015548788 210158456 /nfs/dbraw/zinc/15/84/56/210158456.db2.gz LIEUGSACDMBFOG-IBGZPJMESA-N 0 0 379.510 5.007 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc1O ZINC000015106471 210152698 /nfs/dbraw/zinc/15/26/98/210152698.db2.gz YFPWRQWYFJODAC-HIFRSBDPSA-N 0 0 385.529 5.087 50 0 GKAARN Cc1cc(C)c2c(n1)sc(-c1nc(Cc3ccccc3)no1)c2-n1cccc1 ZINC000015107974 210152077 /nfs/dbraw/zinc/15/20/77/210152077.db2.gz YAGBGEZRFUHDMH-UHFFFAOYSA-N 0 0 386.480 5.345 50 0 GKAARN COc1ccc(-c2nc(CN(C)Cc3ccccc3C(F)(F)F)c(C)o2)cc1 ZINC000015074694 210150160 /nfs/dbraw/zinc/15/01/60/210150160.db2.gz ZFNRZXWSRQTRKP-UHFFFAOYSA-N 0 0 390.405 5.309 50 0 GKAARN CSCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)o1 ZINC000015068940 210147468 /nfs/dbraw/zinc/14/74/68/210147468.db2.gz CQWTZZFAIWFLMR-LJQANCHMSA-N 0 0 393.508 5.031 50 0 GKAARN C[C@@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc(OC(F)F)c1 ZINC000225668648 222689015 /nfs/dbraw/zinc/68/90/15/222689015.db2.gz ONXNDVHXNICIQZ-JSNMRZPZSA-N 0 0 377.431 5.143 50 0 GKAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1OC ZINC000015016865 210143657 /nfs/dbraw/zinc/14/36/57/210143657.db2.gz GRUYKWVAELKVOY-VGOFRKELSA-N 0 0 392.480 5.008 50 0 GKAARN CCOc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000015016270 210142963 /nfs/dbraw/zinc/14/29/63/210142963.db2.gz FAKVZUCEBGELSZ-KNQAVFIVSA-N 0 0 376.481 5.389 50 0 GKAARN O=C(NCc1cccnc1-c1cccs1)Nc1ccccc1C(F)(F)F ZINC000225762422 222695600 /nfs/dbraw/zinc/69/56/00/222695600.db2.gz YHCBHOXPDZKFNI-UHFFFAOYSA-N 0 0 377.391 5.151 50 0 GKAARN CC(C)COc1cccc(CN(C(=O)/C=C/c2ccccc2Cl)C2CC2)c1 ZINC000014996939 210141855 /nfs/dbraw/zinc/14/18/55/210141855.db2.gz AZCQVGPIYTVRFP-JLHYYAGUSA-N 0 0 383.919 5.579 50 0 GKAARN Oc1cc(-c2cccs2)cc2c1OCCN(Cc1ccc3ccccc3c1)C2 ZINC000014989110 210140614 /nfs/dbraw/zinc/14/06/14/210140614.db2.gz NYWPEQRAHSXGIK-UHFFFAOYSA-N 0 0 387.504 5.669 50 0 GKAARN COc1ccc(-c2nc(CN(C)[C@H](C)c3cccs3)c(C)o2)c(OC)c1C ZINC000014970968 210136842 /nfs/dbraw/zinc/13/68/42/210136842.db2.gz QTOCLDNQEHJPSW-CQSZACIVSA-N 0 0 386.517 5.230 50 0 GKAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)[C@H](C)c1nccs1 ZINC000014968402 210136307 /nfs/dbraw/zinc/13/63/07/210136307.db2.gz KXXKFMZKGIFQOW-MRXNPFEDSA-N 0 0 389.524 5.967 50 0 GKAARN COc1cccc2c1OCCCN(Cc1nc(-c3ccccc3Cl)oc1C)C2 ZINC000014948489 210130779 /nfs/dbraw/zinc/13/07/79/210130779.db2.gz NKMLVGBRXVVOEV-UHFFFAOYSA-N 0 0 398.890 5.097 50 0 GKAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc2ccccc2s1 ZINC000014850413 210128287 /nfs/dbraw/zinc/12/82/87/210128287.db2.gz ONUKSFKIPVFJND-UHFFFAOYSA-N 0 0 399.472 5.032 50 0 GKAARN C[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccc(F)cc1F ZINC000014635398 210123317 /nfs/dbraw/zinc/12/33/17/210123317.db2.gz KRKIIBDOWNPSOL-NSHDSACASA-N 0 0 392.858 5.162 50 0 GKAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OCCc3ccccc3)cc2)c1 ZINC000014668894 210123434 /nfs/dbraw/zinc/12/34/34/210123434.db2.gz YZPTWUCSFFKDDJ-LJQANCHMSA-N 0 0 375.468 5.023 50 0 GKAARN CC(=O)Nc1ccc(OC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000014628135 210122900 /nfs/dbraw/zinc/12/29/00/210122900.db2.gz GLDPYEXKAILBSX-UHFFFAOYSA-N 0 0 388.448 5.141 50 0 GKAARN Cc1ccc(OC(F)F)c(-c2csc(CC(=O)Nc3ccccc3C)n2)c1 ZINC000014244105 210112840 /nfs/dbraw/zinc/11/28/40/210112840.db2.gz LTEPXYVXGQAORY-UHFFFAOYSA-N 0 0 388.439 5.210 50 0 GKAARN Cc1cc(-c2cc(C(=O)N3CCC(C)CC3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000014277436 210114744 /nfs/dbraw/zinc/11/47/44/210114744.db2.gz IXMZKYFIHFTYGH-UHFFFAOYSA-N 0 0 396.560 5.230 50 0 GKAARN COc1ccc(-c2cc(-c3cc4ccccc4o3)nc3c2cnn3C(C)C)cc1 ZINC000014187804 210109291 /nfs/dbraw/zinc/10/92/91/210109291.db2.gz PUFGYSXRZHEYLB-UHFFFAOYSA-N 0 0 383.451 6.101 50 0 GKAARN CC(=O)N(c1nc(COC(=O)c2occc2C)cs1)c1c(C)cc(C)cc1C ZINC000014199436 210108880 /nfs/dbraw/zinc/10/88/80/210108880.db2.gz WNDXFVQOLYESNO-UHFFFAOYSA-N 0 0 398.484 5.011 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(C)cc3C)c12 ZINC000014179810 210107365 /nfs/dbraw/zinc/10/73/65/210107365.db2.gz JFONXKJOVMNXCF-UHFFFAOYSA-N 0 0 375.403 5.206 50 0 GKAARN Cc1ccc(NC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1Cl ZINC000014171368 210107378 /nfs/dbraw/zinc/10/73/78/210107378.db2.gz VIOQFDSGAQCLEB-UHFFFAOYSA-N 0 0 395.894 5.277 50 0 GKAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(Cl)cc1 ZINC000014095492 210104514 /nfs/dbraw/zinc/10/45/14/210104514.db2.gz NJUMPVTVLRPJDS-UHFFFAOYSA-N 0 0 386.904 5.167 50 0 GKAARN C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)[C@@H]1C ZINC000014136623 210105410 /nfs/dbraw/zinc/10/54/10/210105410.db2.gz VPCOISIMLIMUHM-PMPSAXMXSA-N 0 0 392.524 5.201 50 0 GKAARN CC(=O)c1cccc(NC(=O)[C@@H](N[C@H](C)c2ccc(F)cc2)c2ccccc2)c1 ZINC000014142222 210104926 /nfs/dbraw/zinc/10/49/26/210104926.db2.gz AYSBFRKBMPFVKP-MWTRTKDXSA-N 0 0 390.458 5.059 50 0 GKAARN FC(F)(F)c1nc2ccccc2c(Nc2ccc3c(c2)nc2n3CCCCC2)n1 ZINC000014084464 210101313 /nfs/dbraw/zinc/10/13/13/210101313.db2.gz DUYGLVBSJDNMCI-UHFFFAOYSA-N 0 0 397.404 5.468 50 0 GKAARN O=C1NC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccccc1 ZINC000014010169 210099024 /nfs/dbraw/zinc/09/90/24/210099024.db2.gz LBSNJUNCEYLEOB-LFIBNONCSA-N 0 0 399.233 5.351 50 0 GKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 ZINC000013946189 210096749 /nfs/dbraw/zinc/09/67/49/210096749.db2.gz XQBQKKLNZCHOAH-UHFFFAOYSA-N 0 0 386.451 5.763 50 0 GKAARN COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)c1 ZINC000013810867 210092839 /nfs/dbraw/zinc/09/28/39/210092839.db2.gz BZMIWERBIUDUEA-RBBKRZOGSA-N 0 0 389.886 5.845 50 0 GKAARN CCCn1c2ccccc2nc1[C@@H](O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013774775 210090384 /nfs/dbraw/zinc/09/03/84/210090384.db2.gz PMRVMIVVJJRYAL-NRFANRHFSA-N 0 0 394.559 5.829 50 0 GKAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1Br ZINC000013773900 210090018 /nfs/dbraw/zinc/09/00/18/210090018.db2.gz NPJBLWRWDCZTDW-UHFFFAOYSA-N 0 0 392.256 5.016 50 0 GKAARN CCOc1ccc(-c2c(C)s/c(=N/c3ccccc3)n2-c2ccccc2)cc1 ZINC000013739494 210087017 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CCCCc1ccc2nc(NC(=S)NC(=O)C=Cc3ccccc3)sc2c1 ZINC000001839898 209341074 /nfs/dbraw/zinc/34/10/74/209341074.db2.gz JFBIVOXVSQCSJT-ACCUITESSA-N 0 0 395.553 5.165 50 0 GKAARN CCCCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000001886288 209340979 /nfs/dbraw/zinc/34/09/79/209340979.db2.gz YOVLPZFVKDPSAM-UHFFFAOYSA-N 0 0 383.488 5.093 50 0 GKAARN Cc1cc(OCc2ccccc2Cl)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797546 209340261 /nfs/dbraw/zinc/34/02/61/209340261.db2.gz RYPCBWSDHBBBFE-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1-c1ccccc1Br ZINC000001820516 209340374 /nfs/dbraw/zinc/34/03/74/209340374.db2.gz ORCNAMUPVRYANZ-UHFFFAOYSA-N 0 0 391.268 5.124 50 0 GKAARN CCCc1cc(=O)oc2c(C)c(OC(=O)c3ccc(Cl)cc3Cl)ccc12 ZINC000001806213 209340079 /nfs/dbraw/zinc/34/00/79/209340079.db2.gz CDHPIQNZFRKELS-UHFFFAOYSA-N 0 0 391.250 5.580 50 0 GKAARN CCCCOc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000001786154 209339854 /nfs/dbraw/zinc/33/98/54/209339854.db2.gz WYRHDEUQTAHWGA-UHFFFAOYSA-N 0 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COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3C)cc2O)cc1 ZINC000005561711 209231713 /nfs/dbraw/zinc/23/17/13/209231713.db2.gz UZZKDEFCNBTWDF-UHFFFAOYSA-N 0 0 398.462 5.412 50 0 GKAARN Cc1oc2cc(OCc3cccc(Cl)c3)ccc2c(=O)c1-c1ccccc1 ZINC000002424621 209228759 /nfs/dbraw/zinc/22/87/59/209228759.db2.gz PQFRIGKNMUAZKU-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccc(F)cc1 ZINC000002420684 209229857 /nfs/dbraw/zinc/22/98/57/209229857.db2.gz JJLZZHPGSOEDLG-UHFFFAOYSA-N 0 0 394.785 5.472 50 0 GKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(Br)ccc1Cl ZINC000002056916 209229906 /nfs/dbraw/zinc/22/99/06/209229906.db2.gz DKRQCXVGOHRCRR-UHFFFAOYSA-N 0 0 398.687 5.926 50 0 GKAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001940062 209229666 /nfs/dbraw/zinc/22/96/66/209229666.db2.gz MCPXZDSFFFVTCF-UXBLZVDNSA-N 0 0 378.255 5.212 50 0 GKAARN CCOC(=O)c1c2cc(OC)c(Br)cc2oc1-c1ccccc1 ZINC000000623899 209227954 /nfs/dbraw/zinc/22/79/54/209227954.db2.gz SNQYVFZLLSKBQL-UHFFFAOYSA-N 0 0 375.218 5.048 50 0 GKAARN Cc1c(OC(=O)C(C)(C)C)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 ZINC000001463815 209227856 /nfs/dbraw/zinc/22/78/56/209227856.db2.gz LIWSWZDEJLVFBA-UHFFFAOYSA-N 0 0 393.464 5.330 50 0 GKAARN Cc1c(OCC(=O)c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000000634068 209227461 /nfs/dbraw/zinc/22/74/61/209227461.db2.gz DJVSAUGXMAAMLE-UHFFFAOYSA-N 0 0 398.458 5.262 50 0 biogenic GKAARN Cc1c(NC(=O)c2ccccc2Cl)cccc1-c1nc2ccccc2s1 ZINC000002056934 212263824 /nfs/dbraw/zinc/26/38/24/212263824.db2.gz WNDKOCZBPMHMFV-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN COc1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002058110 212263546 /nfs/dbraw/zinc/26/35/46/212263546.db2.gz UASNZFSRFTUSDM-AREMUKBSSA-N 0 0 385.507 5.830 50 0 GKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 ZINC000002067179 212263295 /nfs/dbraw/zinc/26/32/95/212263295.db2.gz IUNXHAUKVGPLQU-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000002069685 212262877 /nfs/dbraw/zinc/26/28/77/212262877.db2.gz GXIRFKQATJCTIQ-LJQANCHMSA-N 0 0 377.871 5.703 50 0 GKAARN CCCOc1ccccc1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002071986 212262943 /nfs/dbraw/zinc/26/29/43/212262943.db2.gz NBDHORVYSNPDCQ-UHFFFAOYSA-N 0 0 388.826 5.484 50 0 GKAARN O=C1N[C@H](c2ccccc2OCc2ccccc2)Nc2sc3c(c21)CCCC3 ZINC000002063594 212262994 /nfs/dbraw/zinc/26/29/94/212262994.db2.gz UKWLSTMPQYNUES-NRFANRHFSA-N 0 0 390.508 5.060 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)c(C)c3)nc2c1 ZINC000002059417 212262654 /nfs/dbraw/zinc/26/26/54/212262654.db2.gz NFJYJQNPXWOYSO-UHFFFAOYSA-N 0 0 398.506 6.661 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)cc1 ZINC000002069175 212262684 /nfs/dbraw/zinc/26/26/84/212262684.db2.gz IPFCVFMYAUNQCC-UHFFFAOYSA-N 0 0 384.479 6.353 50 0 GKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002073056 212262697 /nfs/dbraw/zinc/26/26/97/212262697.db2.gz SPPMTPNEJLMIHH-FOIQADDNSA-N 0 0 378.903 5.864 50 0 GKAARN CCOc1ccc(-c2nc3ccccc3c(C(=O)NC3CCCCC3)c2C)cc1 ZINC000002073086 212262726 /nfs/dbraw/zinc/26/27/26/212262726.db2.gz LGEOZOUPLXHUIT-UHFFFAOYSA-N 0 0 388.511 5.671 50 0 GKAARN COc1ccc(C(=O)N2c3ccc(C)cc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002060908 212262795 /nfs/dbraw/zinc/26/27/95/212262795.db2.gz SYUIXNMHWUKBNY-HHHXNRCGSA-N 0 0 399.534 6.139 50 0 aggregator GKAARN O=C(Nc1cc(Cl)ccc1Cl)c1sc2cccc(Cl)c2c1Cl ZINC000002059001 212262632 /nfs/dbraw/zinc/26/26/32/212262632.db2.gz RIBBMOLBOKAROY-UHFFFAOYSA-N 0 0 391.106 6.767 50 0 GKAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(C(C)C)cc2)N1c1ccccc1 ZINC000002049713 212262368 /nfs/dbraw/zinc/26/23/68/212262368.db2.gz VMVZMKFBYXAZCU-RUZDIDTESA-N 0 0 383.495 5.738 50 0 GKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)C[C@H](C(C)(C)C)CC2 ZINC000001948538 212260509 /nfs/dbraw/zinc/26/05/09/212260509.db2.gz SZADYSWNTQICSH-OAHLLOKOSA-N 0 0 385.529 5.246 50 0 GKAARN Cc1cccc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)c1 ZINC000001915238 212259896 /nfs/dbraw/zinc/25/98/96/212259896.db2.gz IVPGDAPXEUSAQG-UHFFFAOYSA-N 0 0 386.447 5.905 50 0 GKAARN COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001921944 212259707 /nfs/dbraw/zinc/25/97/07/212259707.db2.gz CHOGYBHOTCFYGQ-CYBMUJFWSA-N 0 0 389.492 5.077 50 0 GKAARN Cc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4C)cs3)n2)c(C)c1 ZINC000001898863 212259035 /nfs/dbraw/zinc/25/90/35/212259035.db2.gz NZSWJUYZQXNAGO-UHFFFAOYSA-N 0 0 376.550 6.834 50 0 GKAARN CCCc1cc2c(cc1OCc1ccc(F)cc1)oc(=O)cc2-c1ccccc1 ZINC000001797501 212257473 /nfs/dbraw/zinc/25/74/73/212257473.db2.gz UAPATBYZYGBGFX-UHFFFAOYSA-N 0 0 388.438 6.131 50 0 GKAARN CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001800244 212257128 /nfs/dbraw/zinc/25/71/28/212257128.db2.gz WTZYIDRMWUJBIY-UHFFFAOYSA-N 0 0 394.584 5.895 50 0 biogenic GKAARN Cc1cccc(OCCOc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c1 ZINC000001791552 212256991 /nfs/dbraw/zinc/25/69/91/212256991.db2.gz MKHGNDPPYJWNIV-UHFFFAOYSA-N 0 0 395.886 5.667 50 0 GKAARN C[C@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)OC1CCCCC1 ZINC000001778544 212256339 /nfs/dbraw/zinc/25/63/39/212256339.db2.gz BAYPLAAPJSSORH-STQMWFEESA-N 0 0 390.574 5.173 50 0 GKAARN O=c1c2ccc(OCc3ccc(Cl)cc3)cc2occ1-c1ccccc1Cl ZINC000001770835 212256396 /nfs/dbraw/zinc/25/63/96/212256396.db2.gz WPQYXLURZIEIIH-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 biogenic GKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc2ccccc21 ZINC000001770424 212256013 /nfs/dbraw/zinc/25/60/13/212256013.db2.gz QUEUJIRWIHPQCL-UHFFFAOYSA-N 0 0 390.870 6.270 50 0 GKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(C)c(Cl)c1 ZINC000001770414 212256042 /nfs/dbraw/zinc/25/60/42/212256042.db2.gz YQIXOUVHEZDPCS-UHFFFAOYSA-N 0 0 389.282 6.079 50 0 GKAARN CCOc1ccc(-n2sc3c(c2=S)-c2cc(C)cc(C)c2NC3(C)C)cc1 ZINC000001767513 212255828 /nfs/dbraw/zinc/25/58/28/212255828.db2.gz GONVWXIKRYOXAG-UHFFFAOYSA-N 0 0 396.581 6.611 50 0 GKAARN CCCCOc1ccccc1Nc1c(C(=O)OCC)cnc2c(C)cccc21 ZINC000001777809 212255501 /nfs/dbraw/zinc/25/55/01/212255501.db2.gz CKPARCBARJCWKA-UHFFFAOYSA-N 0 0 378.472 5.642 50 0 GKAARN Cc1c(Cl)cccc1Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000001756722 212255321 /nfs/dbraw/zinc/25/53/21/212255321.db2.gz YDSZRWNTAFWYBO-UHFFFAOYSA-N 0 0 380.278 6.656 50 0 GKAARN CC(C)CN(CC(C)C)c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000001774697 212255168 /nfs/dbraw/zinc/25/51/68/212255168.db2.gz NHIZHPPTVBADTK-UHFFFAOYSA-N 0 0 389.587 6.713 50 0 GKAARN CC1=CC=CN2C(c3ccc(Cl)cc3)=NC(C(F)(F)F)(C(F)(F)F)N=C12 ZINC000002050273 212262077 /nfs/dbraw/zinc/26/20/77/212262077.db2.gz NYKULLXQKFYMPT-UHFFFAOYSA-N 0 0 393.718 5.095 50 0 GKAARN CCCCOc1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 ZINC000002025170 212261949 /nfs/dbraw/zinc/26/19/49/212261949.db2.gz BNOHBOCODMQBNU-MOHJPFBDSA-N 0 0 397.474 5.877 50 0 GKAARN Cc1ccc2nc(Nc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)c2c1 ZINC000002028460 212261687 /nfs/dbraw/zinc/26/16/87/212261687.db2.gz CMNNMKFXNUSXQF-UHFFFAOYSA-N 0 0 379.385 6.368 50 0 GKAARN CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1 ZINC000002004584 212261306 /nfs/dbraw/zinc/26/13/06/212261306.db2.gz UUSHFEVEROROSP-UHFFFAOYSA-N 0 0 399.556 5.724 50 0 in-vitro GKAARN Cc1ccccc1-c1nnc(-c2ccc(-c3ncc(-c4ccccc4)o3)cc2)o1 ZINC000002026503 212261153 /nfs/dbraw/zinc/26/11/53/212261153.db2.gz NVHUTLZOGHXLOE-UHFFFAOYSA-N 0 0 379.419 6.034 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)c3ccccc23)sc2c1CCCC2 ZINC000002052017 212261188 /nfs/dbraw/zinc/26/11/88/212261188.db2.gz QZYKWEVTGJVLKV-UHFFFAOYSA-N 0 0 393.508 5.518 50 0 GKAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nnc(Nc2ccccc2)s1 ZINC000001658184 212252116 /nfs/dbraw/zinc/25/21/16/212252116.db2.gz DBUXDZBOLSBAMS-UHFFFAOYSA-N 0 0 390.251 5.362 50 0 GKAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccccc2)c1 ZINC000001447567 212246510 /nfs/dbraw/zinc/24/65/10/212246510.db2.gz IAOWBSPVCMQMTQ-UHFFFAOYSA-N 0 0 390.490 6.008 50 0 GKAARN Clc1ccc(C(Cl)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000001599898 212250399 /nfs/dbraw/zinc/25/03/99/212250399.db2.gz JOQCINXYMZALAZ-UHFFFAOYSA-N 0 0 388.936 6.846 50 0 GKAARN Cc1ccc(C)c(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)c1 ZINC000001510211 212248497 /nfs/dbraw/zinc/24/84/97/212248497.db2.gz TWSQHLAPARHJKD-UHFFFAOYSA-N 0 0 377.296 5.986 50 0 GKAARN COc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC ZINC000001473075 212247352 /nfs/dbraw/zinc/24/73/52/212247352.db2.gz OEYKVAQAMRRCOW-UHFFFAOYSA-N 0 0 378.859 5.422 50 0 GKAARN CC(C)N(C(=O)Cn1c(Cc2ccccc2)nc2ccccc21)c1ccccc1 ZINC000001473067 212247072 /nfs/dbraw/zinc/24/70/72/212247072.db2.gz OOJQTFJIQJUAKY-UHFFFAOYSA-N 0 0 383.495 5.069 50 0 GKAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000245238046 209214891 /nfs/dbraw/zinc/21/48/91/209214891.db2.gz DFUVYUIOKPEVNC-ZCAIMPEWSA-N 0 0 395.502 5.462 50 0 GKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCCC2)cc1 ZINC000001447734 212246053 /nfs/dbraw/zinc/24/60/53/212246053.db2.gz VBYLMOKKPXGTEB-UHFFFAOYSA-N 0 0 384.483 5.086 50 0 GKAARN CCc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)s1 ZINC000001457168 212245952 /nfs/dbraw/zinc/24/59/52/212245952.db2.gz CJCAUPWUAVJOQH-HZPDHXFCSA-N 0 0 378.541 5.644 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccco2)cc1 ZINC000010215085 212239120 /nfs/dbraw/zinc/23/91/20/212239120.db2.gz WWXXWPFLBDEUOV-WIYYLYMNSA-N 0 0 380.831 5.184 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000010215614 212238649 /nfs/dbraw/zinc/23/86/49/212238649.db2.gz NSDIVTIQPUMHLN-QPPBQGQZSA-N 0 0 385.467 5.031 50 0 GKAARN Cc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1C ZINC000010235674 212238514 /nfs/dbraw/zinc/23/85/14/212238514.db2.gz KCDIISHOJABXMW-UHFFFAOYSA-N 0 0 384.932 5.586 50 0 GKAARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cccs3)C[C@H]21 ZINC000010216154 212238587 /nfs/dbraw/zinc/23/85/87/212238587.db2.gz QRYBHFPFRQQPCC-FOIQADDNSA-N 0 0 382.510 5.451 50 0 GKAARN Cc1ccc2sc(N(Cc3ccccn3)C(=O)C3CCCCC3)nc2c1C ZINC000010187703 212237081 /nfs/dbraw/zinc/23/70/81/212237081.db2.gz HOIBZZFGOGIMIU-UHFFFAOYSA-N 0 0 379.529 5.422 50 0 GKAARN Cc1nc(C)c(-c2csc(Nc3cc(C(F)(F)F)ccc3Cl)n2)s1 ZINC000001421776 212243090 /nfs/dbraw/zinc/24/30/90/212243090.db2.gz IHHQKIPTHOECIO-UHFFFAOYSA-N 0 0 389.855 6.299 50 0 GKAARN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000001425961 212242893 /nfs/dbraw/zinc/24/28/93/212242893.db2.gz XKGRUXOJDRYNMZ-SANMLTNESA-N 0 0 393.442 5.333 50 0 GKAARN Cc1c(NC(=O)COc2ccc(Cl)cc2)cccc1-c1nc2ccccc2o1 ZINC000001413960 212242942 /nfs/dbraw/zinc/24/29/42/212242942.db2.gz ZZYVWZMWSUZZOD-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN CSc1nnc([C@H](C)c2ncc(C(F)(F)F)cc2Cl)n1-c1ccccc1 ZINC000001396673 212242393 /nfs/dbraw/zinc/24/23/93/212242393.db2.gz HGLSJXIIFYCXOO-SNVBAGLBSA-N 0 0 398.841 5.208 50 0 GKAARN Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000001396704 212242476 /nfs/dbraw/zinc/24/24/76/212242476.db2.gz JTXIHSLKIIGIFG-UHFFFAOYSA-N 0 0 380.605 5.566 50 0 GKAARN FC(F)(F)c1cccc(OCc2cc(-c3ccc(Cl)c(Cl)c3)on2)c1 ZINC000001398582 212242258 /nfs/dbraw/zinc/24/22/58/212242258.db2.gz 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CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000001088481 203881530 /nfs/dbraw/zinc/88/15/30/203881530.db2.gz UOKDZIVIBDKKLL-VGOFMYFVSA-N 0 0 390.508 5.776 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1OC1CCCCC1)c1ccc(F)cc1 ZINC000001084498 203881555 /nfs/dbraw/zinc/88/15/55/203881555.db2.gz CYDKZIUCKHDXQC-UHFFFAOYSA-N 0 0 381.369 5.808 50 0 GKAARN Cc1ccc(-c2nnc(S[C@H](C(=O)c3ccccc3)c3ccccc3)o2)cc1 ZINC000001107353 203883966 /nfs/dbraw/zinc/88/39/66/203883966.db2.gz WMEKAPXKGWIMJF-NRFANRHFSA-N 0 0 386.476 5.761 50 0 GKAARN Cc1ccc(N(C)C(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000001109319 203884201 /nfs/dbraw/zinc/88/42/01/203884201.db2.gz UFDPCTUTFINVQL-UHFFFAOYSA-N 0 0 379.843 5.515 50 0 GKAARN O=C(/C=C/c1ccco1)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000001114684 203884929 /nfs/dbraw/zinc/88/49/29/203884929.db2.gz KSPDNDQGKMYMGB-VAWYXSNFSA-N 0 0 384.229 5.486 50 0 GKAARN Cc1c(C)c(C)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(C)c1C ZINC000001216269 203897675 /nfs/dbraw/zinc/89/76/75/203897675.db2.gz 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O=c1c2c(-c3ccc(-c4ccccc4)cc3)csc2ncn1-c1ccccc1 ZINC000002286466 203934614 /nfs/dbraw/zinc/93/46/14/203934614.db2.gz RHXNYAXCYYCDDG-UHFFFAOYSA-N 0 0 380.472 5.781 50 0 GKAARN COc1ccc(-c2nnc(Oc3cccc(NC(C)=O)c3)c3ccccc32)cc1 ZINC000002276805 203935216 /nfs/dbraw/zinc/93/52/16/203935216.db2.gz ARVLQWSSDPCJGO-UHFFFAOYSA-N 0 0 385.423 5.056 50 0 GKAARN CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(CC)CC)cc1 ZINC000002294083 203935888 /nfs/dbraw/zinc/93/58/88/203935888.db2.gz KABLPSBRSXTVTI-UHFFFAOYSA-N 0 0 379.957 5.078 50 0 GKAARN CCOC(=O)c1ccc(Nc2nc(-c3ccccc3C)nc3ccccc32)cc1 ZINC000002302345 203935951 /nfs/dbraw/zinc/93/59/51/203935951.db2.gz GNJBCBKBFOFUBV-UHFFFAOYSA-N 0 0 383.451 5.526 50 0 GKAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1cccc(Cl)c1 ZINC000002293218 203936767 /nfs/dbraw/zinc/93/67/67/203936767.db2.gz QITGZKSVNRCXIT-HXUWFJFHSA-N 0 0 381.888 5.329 50 0 GKAARN Cc1cc(Nc2ccc(N(C)C)cc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002324877 203937784 /nfs/dbraw/zinc/93/77/84/203937784.db2.gz 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/nfs/dbraw/zinc/94/32/77/203943277.db2.gz YPQOTQSLNJSMCI-UHFFFAOYSA-N 0 0 396.498 5.045 50 0 GKAARN Cc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1Cl ZINC000002426568 203943603 /nfs/dbraw/zinc/94/36/03/203943603.db2.gz CHNGCBKMMODYLZ-UHFFFAOYSA-N 0 0 395.886 5.299 50 0 GKAARN COc1c(Cl)cc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1Cl ZINC000001218044 203898304 /nfs/dbraw/zinc/89/83/04/203898304.db2.gz SUNRUTKWYUHBHG-UHFFFAOYSA-N 0 0 379.243 5.405 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc2ccccc21 ZINC000001228833 203899280 /nfs/dbraw/zinc/89/92/80/203899280.db2.gz ANCOIOWFIZBPBN-UHFFFAOYSA-N 0 0 382.394 6.039 50 0 GKAARN O=C(c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 ZINC000001240055 203899968 /nfs/dbraw/zinc/89/99/68/203899968.db2.gz PMDDPPFFRBPZJA-SFHVURJKSA-N 0 0 395.256 5.034 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3cccc(F)c3)n2)cc1C ZINC000002733349 203958736 /nfs/dbraw/zinc/95/87/36/203958736.db2.gz NHRVJUTWFCWPAY-UHFFFAOYSA-N 0 0 384.498 6.638 50 0 GKAARN CCN1C(=S)N=NC1c1cc(-c2ccc(C(C)C)cc2)nc2ccc(C)cc21 ZINC000002735421 203959131 /nfs/dbraw/zinc/95/91/31/203959131.db2.gz KDQRPRUWUPGTIA-UHFFFAOYSA-N 0 0 388.540 5.901 50 0 GKAARN Cc1sc(-n2nc(-c3ccc(C)cc3)cc2C(F)F)nc1-c1ccccc1 ZINC000002785725 203963228 /nfs/dbraw/zinc/96/32/28/203963228.db2.gz OGFYQDFBIJATIL-UHFFFAOYSA-N 0 0 381.451 6.217 50 0 GKAARN Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000002816793 203965539 /nfs/dbraw/zinc/96/55/39/203965539.db2.gz KMUBXTLWKFPQPV-UHFFFAOYSA-N 0 0 380.369 5.380 50 0 GKAARN COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 ZINC000002834568 203966979 /nfs/dbraw/zinc/96/69/79/203966979.db2.gz ZBUDZWZSXNSUKI-SFTDATJTSA-N 0 0 396.284 5.688 50 0 GKAARN O=C(CSCc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000002856123 203968745 /nfs/dbraw/zinc/96/87/45/203968745.db2.gz ZDBJIGBRDHRBLB-UHFFFAOYSA-N 0 0 383.900 6.004 50 0 GKAARN CCN(C(=O)COc1ccc(-c2ccccc2)cc1)c1cccc2ccccc21 ZINC000003266612 203994962 /nfs/dbraw/zinc/99/49/62/203994962.db2.gz GLEQLPNVNHEUBK-UHFFFAOYSA-N 0 0 381.475 5.939 50 0 GKAARN O=c1oc2cc(OCc3ccc(F)cc3Cl)c(Cl)cc2c2c1CCC2 ZINC000002905743 203971889 /nfs/dbraw/zinc/97/18/89/203971889.db2.gz QCGFDDKQLOPHKL-UHFFFAOYSA-N 0 0 379.214 5.307 50 0 GKAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nc3ccsc3c2=O)cc1 ZINC000002925262 203973407 /nfs/dbraw/zinc/97/34/07/203973407.db2.gz VBKSXHKOKDLANP-UHFFFAOYSA-N 0 0 394.521 5.057 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 ZINC000002915900 203974361 /nfs/dbraw/zinc/97/43/61/203974361.db2.gz BAZAGHRYZHBGOW-KXBFYZLASA-N 0 0 382.533 5.308 50 0 GKAARN O=C(Nc1ccc(Br)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002951466 203975971 /nfs/dbraw/zinc/97/59/71/203975971.db2.gz FBJBUMJZJMYRSP-LJQANCHMSA-N 0 0 398.325 5.921 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000002947988 203976507 /nfs/dbraw/zinc/97/65/07/203976507.db2.gz YEHMDYLWDRNRGB-KBPBESRZSA-N 0 0 375.082 5.519 50 0 GKAARN CCOc1ccc(/C=C2\N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)cc1 ZINC000002944989 203976908 /nfs/dbraw/zinc/97/69/08/203976908.db2.gz LNKINJQEJXNQCK-JUBDITTISA-N 0 0 388.250 5.402 50 0 GKAARN Cc1ccc2oc(=O)c(-c3nc(-c4ccc(Br)cc4)cs3)cc2c1 ZINC000002964226 203977648 /nfs/dbraw/zinc/97/76/48/203977648.db2.gz UVFAQNPOHZGREG-UHFFFAOYSA-N 0 0 398.281 5.654 50 0 GKAARN CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(Br)cc1 ZINC000002981759 203978496 /nfs/dbraw/zinc/97/84/96/203978496.db2.gz HIRJGVJBOFKLFN-UHFFFAOYSA-N 0 0 391.290 5.370 50 0 GKAARN COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002974676 203978869 /nfs/dbraw/zinc/97/88/69/203978869.db2.gz PRLNCHGZLMDFDH-OAHLLOKOSA-N 0 0 392.890 5.188 50 0 GKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccccc1 ZINC000002974467 203979051 /nfs/dbraw/zinc/97/90/51/203979051.db2.gz ABEBHRDTCAWVHI-ZRDIBKRKSA-N 0 0 382.463 6.072 50 0 GKAARN S=C(c1cn(CCCOc2ccccc2Cl)c2ccccc12)N1CCCC1 ZINC000002994064 203979743 /nfs/dbraw/zinc/97/97/43/203979743.db2.gz SWIKWUNCFCZIBR-UHFFFAOYSA-N 0 0 398.959 5.535 50 0 GKAARN Cc1ccc(CNC(=O)CS[C@H]2CC3(CCCC3)Oc3ccc(C)cc32)cc1 ZINC000003061630 203984940 /nfs/dbraw/zinc/98/49/40/203984940.db2.gz PUJQBNPKRRLYLN-QFIPXVFZSA-N 0 0 395.568 5.489 50 0 biogenic GKAARN Cc1ccc(NC(=O)c2ccccc2Cl)cc1NC(=O)c1ccccc1Cl ZINC000003124650 203986434 /nfs/dbraw/zinc/98/64/34/203986434.db2.gz BGDSKZVWOJZQDX-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2c(F)cccc2Cl)cc1 ZINC000003152062 203987733 /nfs/dbraw/zinc/98/77/33/203987733.db2.gz MYIJTPKNQSTHAE-UHFFFAOYSA-N 0 0 380.894 6.121 50 0 GKAARN Cc1cc(C)cc(Oc2c(F)c(F)c(Oc3cc(C)cc(C)c3)c(F)c2F)c1 ZINC000003168050 203988250 /nfs/dbraw/zinc/98/82/50/203988250.db2.gz UQQZOEKXFPUOFZ-UHFFFAOYSA-N 0 0 390.376 7.061 50 0 GKAARN Cc1cc(C)cc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000003231736 203991317 /nfs/dbraw/zinc/99/13/17/203991317.db2.gz AGNCLAZJRGRUCH-UHFFFAOYSA-N 0 0 386.662 5.059 50 0 GKAARN Clc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1Cl ZINC000003236049 203991865 /nfs/dbraw/zinc/99/18/65/203991865.db2.gz INCLXVJCPVOAPW-UHFFFAOYSA-N 0 0 379.316 5.026 50 0 GKAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000003251377 203993420 /nfs/dbraw/zinc/99/34/20/203993420.db2.gz WOHDZBDBHKUOAV-IBGZPJMESA-N 0 0 388.319 6.466 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002573596 203949524 /nfs/dbraw/zinc/94/95/24/203949524.db2.gz MLDJERSZZDPAIU-UHFFFAOYSA-N 0 0 388.678 5.453 50 0 GKAARN CC(C)CN(C(=O)c1cnc(Cl)c(Cl)c1)c1nc2ccccc2s1 ZINC000002651959 203953699 /nfs/dbraw/zinc/95/36/99/203953699.db2.gz ZISGZSPIAAYOSH-UHFFFAOYSA-N 0 0 380.300 5.301 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)c(C)c1 ZINC000002729705 203958135 /nfs/dbraw/zinc/95/81/35/203958135.db2.gz WPLOCZHRCGJVRV-IBGZPJMESA-N 0 0 380.491 6.010 50 0 GKAARN CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004309638 204037631 /nfs/dbraw/zinc/03/76/31/204037631.db2.gz ICFNXJLZRMYOMN-MRXNPFEDSA-N 0 0 391.696 5.382 50 0 GKAARN CC(=O)N1CCn2c3ccc(C45CC6CC(CC(C6)C4)C5)cc3c3c2[C@@H]1CCC3 ZINC000004321444 204037906 /nfs/dbraw/zinc/03/79/06/204037906.db2.gz YJFDLAHLUPQWQB-XJVZSZGSSA-N 0 0 388.555 5.349 50 0 GKAARN Cc1ccccc1-n1c(SCc2ccccc2F)nnc1-c1ccccc1F ZINC000004357109 204040080 /nfs/dbraw/zinc/04/00/80/204040080.db2.gz JPFBFZZQDUELCG-UHFFFAOYSA-N 0 0 393.462 5.813 50 0 GKAARN O=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1ccccc1 ZINC000004349576 204041089 /nfs/dbraw/zinc/04/10/89/204041089.db2.gz FKAIGOLFDGHRRD-UHFFFAOYSA-N 0 0 395.911 5.764 50 0 GKAARN O=C(CSc1ncnc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003291717 203996094 /nfs/dbraw/zinc/99/60/94/203996094.db2.gz ZPNJGYPYEVYLNW-UHFFFAOYSA-N 0 0 397.809 5.033 50 0 GKAARN FC(F)(F)Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000003304473 203996715 /nfs/dbraw/zinc/99/67/15/203996715.db2.gz VMSHDVFUQJMORI-UHFFFAOYSA-N 0 0 387.386 6.001 50 0 GKAARN O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1-c1ccccc1 ZINC000003326389 203997605 /nfs/dbraw/zinc/99/76/05/203997605.db2.gz HHHYJNCCJNEWHL-UHFFFAOYSA-N 0 0 399.368 5.168 50 0 GKAARN COc1ccccc1/C=C/c1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000004379545 204042022 /nfs/dbraw/zinc/04/20/22/204042022.db2.gz URCQXWWLMAPIKM-CCEZHUSRSA-N 0 0 377.532 6.140 50 0 GKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000003351820 204000346 /nfs/dbraw/zinc/00/03/46/204000346.db2.gz ALESENVVXYBFSK-NRFANRHFSA-N 0 0 393.918 5.009 50 0 GKAARN Cc1ccc(-c2sc(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 ZINC000003353508 204000555 /nfs/dbraw/zinc/00/05/55/204000555.db2.gz HENSLYQEIFSUHS-UHFFFAOYSA-N 0 0 395.483 6.559 50 0 GKAARN CCc1cccc(C)c1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000003350100 204000581 /nfs/dbraw/zinc/00/05/81/204000581.db2.gz DPFIOBJTCUSJFE-LTGZKZEYSA-N 0 0 375.899 6.390 50 0 GKAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1Cc1ccccc1 ZINC000003354860 204000891 /nfs/dbraw/zinc/00/08/91/204000891.db2.gz QRABSIJIBQEKAD-UHFFFAOYSA-N 0 0 387.813 5.785 50 0 GKAARN c1csc(-c2nc3ccccc3c(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000003365448 204001359 /nfs/dbraw/zinc/00/13/59/204001359.db2.gz 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CCOC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)c1ccccc1S2 ZINC000005005453 204102791 /nfs/dbraw/zinc/10/27/91/204102791.db2.gz MXXWSSAXGRCAMD-UHFFFAOYSA-N 0 0 396.493 5.760 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c(C)c1 ZINC000005017037 204103290 /nfs/dbraw/zinc/10/32/90/204103290.db2.gz MRWNIUIKTJAYEJ-UHFFFAOYSA-N 0 0 386.904 5.022 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)cc1Cl ZINC000005015823 204103355 /nfs/dbraw/zinc/10/33/55/204103355.db2.gz WITYBURTMIZREK-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN COc1cccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc(C)ccc32)c1 ZINC000005028625 204104296 /nfs/dbraw/zinc/10/42/96/204104296.db2.gz IRLSJKMABRUSGQ-UHFFFAOYSA-N 0 0 393.490 5.877 50 0 GKAARN CC(C)c1ccc(Cc2cnc(NC(=O)C3=Cc4ccccc4OC3)s2)cc1 ZINC000005034351 204104401 /nfs/dbraw/zinc/10/44/01/204104401.db2.gz NMJOBICRADHKAS-UHFFFAOYSA-N 0 0 390.508 5.272 50 0 GKAARN CCOc1ccc(NC(=O)CCCc2cc(-c3ccc(OCC)cc3)on2)cc1 ZINC000005028520 204104703 /nfs/dbraw/zinc/10/47/03/204104703.db2.gz 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CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C/C=C\c2ccccc2)cc1 ZINC000006186897 204170578 /nfs/dbraw/zinc/17/05/78/204170578.db2.gz ZWBDZVWZZHPCFY-REBWPMHBSA-N 0 0 394.562 7.100 50 0 GKAARN Cc1ccc(C(=O)n2ccc(-c3ccccc3OCc3ccc(F)cc3)n2)cc1 ZINC000006211669 204170901 /nfs/dbraw/zinc/17/09/01/204170901.db2.gz VAQJHKZJVYQRQX-UHFFFAOYSA-N 0 0 386.426 5.265 50 0 GKAARN Cc1c([C@@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)c2ccccc2n1C ZINC000006235715 204171266 /nfs/dbraw/zinc/17/12/66/204171266.db2.gz TZJYKRWDOXNEBZ-GKVSMKOHSA-N 0 0 380.491 5.793 50 0 GKAARN CCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2c(cccc2C)s1 ZINC000006205479 204171563 /nfs/dbraw/zinc/17/15/63/204171563.db2.gz MEGDSDBBCJHYSK-UHFFFAOYSA-N 0 0 388.492 6.064 50 0 GKAARN O=C(c1ccc(F)cc1)n1ccc(-c2ccccc2OCc2ccc(F)cc2)n1 ZINC000006222518 204171668 /nfs/dbraw/zinc/17/16/68/204171668.db2.gz VROYHDHKKHQPRY-UHFFFAOYSA-N 0 0 390.389 5.096 50 0 GKAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc(F)c4)c3)nc2c1 ZINC000006206084 204171796 /nfs/dbraw/zinc/17/17/96/204171796.db2.gz IQNAQCNOTNHGEC-UHFFFAOYSA-N 0 0 376.387 5.203 50 0 GKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000006257536 204172760 /nfs/dbraw/zinc/17/27/60/204172760.db2.gz ARGSURHVYVGVOO-TZIWHRDSSA-N 0 0 379.822 5.116 50 0 GKAARN CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000006340952 204174385 /nfs/dbraw/zinc/17/43/85/204174385.db2.gz SHBIAEMDLKCTJP-UHFFFAOYSA-N 0 0 383.451 5.190 50 0 GKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000006409637 204177009 /nfs/dbraw/zinc/17/70/09/204177009.db2.gz LRXBANUZZGHJON-WYRIXSBYSA-N 0 0 398.915 6.215 50 0 GKAARN Cc1ccccc1CSCC1N=NC(=S)N1c1cc(Cl)ccc1C ZINC000006401674 204177504 /nfs/dbraw/zinc/17/75/04/204177504.db2.gz WVSBTROQOPCWTC-UHFFFAOYSA-N 0 0 375.950 5.260 50 0 GKAARN CCCCCCOc1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000006397152 204177755 /nfs/dbraw/zinc/17/77/55/204177755.db2.gz XHAGXPDAPKQXKA-LFIBNONCSA-N 0 0 377.553 7.248 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cccc(Cl)c3n2)cc1 ZINC000006419011 204179111 /nfs/dbraw/zinc/17/91/11/204179111.db2.gz OTMQOELTLHGIBX-UHFFFAOYSA-N 0 0 387.870 5.765 50 0 GKAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3)C2=O)cc1 ZINC000006489587 204179990 /nfs/dbraw/zinc/17/99/90/204179990.db2.gz APSXAAFGTKKYLK-KQWNVCNZSA-N 0 0 398.462 5.034 50 0 GKAARN O=C(CCC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000006472615 204180622 /nfs/dbraw/zinc/18/06/22/204180622.db2.gz VZGMOGGHNUAVTO-UHFFFAOYSA-N 0 0 388.851 5.204 50 0 GKAARN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1 ZINC000006494956 204181576 /nfs/dbraw/zinc/18/15/76/204181576.db2.gz BFMAJNRDPGWVCB-UHFFFAOYSA-N 0 0 389.474 5.117 50 0 GKAARN c1csc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)co2)c1 ZINC000006531940 204182811 /nfs/dbraw/zinc/18/28/11/204182811.db2.gz CRBVHQLYOBRHSO-UHFFFAOYSA-N 0 0 394.525 5.213 50 0 GKAARN S=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1ccccc1 ZINC000006548716 204183129 /nfs/dbraw/zinc/18/31/29/204183129.db2.gz JAEXFGYWFAFYPY-UHFFFAOYSA-N 0 0 387.335 6.147 50 0 GKAARN C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006560144 204183711 /nfs/dbraw/zinc/18/37/11/204183711.db2.gz CCXRJUKENVRSIE-INIZCTEOSA-N 0 0 391.492 5.244 50 0 GKAARN COC(=O)c1ccc(Cl)c(Nc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000006602643 204186310 /nfs/dbraw/zinc/18/63/10/204186310.db2.gz KNFLMZKPWIIBRU-UHFFFAOYSA-N 0 0 395.871 5.542 50 0 GKAARN FC(F)(F)c1ccccc1NC(=S)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000006633609 204187451 /nfs/dbraw/zinc/18/74/51/204187451.db2.gz JVHQRZMYGYHBJP-UHFFFAOYSA-N 0 0 383.826 5.327 50 0 GKAARN Cc1nc(-c2cccc(NC(=O)c3sc4ccccc4c3Cl)c2)cs1 ZINC000006647704 204187700 /nfs/dbraw/zinc/18/77/00/204187700.db2.gz VHHUPVUOGIQARP-UHFFFAOYSA-N 0 0 384.913 6.239 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000006647617 204187961 /nfs/dbraw/zinc/18/79/61/204187961.db2.gz UUXVCLHUISYHNV-QFIPXVFZSA-N 0 0 385.463 5.264 50 0 GKAARN O=c1nc(C(Cl)=Cc2cccc(F)c2)[nH]c2scc(-c3cccs3)c21 ZINC000006653122 204188898 /nfs/dbraw/zinc/18/88/98/204188898.db2.gz DBLPATPDMQBQKM-JYRVWZFOSA-N 0 0 388.876 5.589 50 0 GKAARN Clc1nc2ccccc2cc1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000006654177 204189603 /nfs/dbraw/zinc/18/96/03/204189603.db2.gz DJQHZWYCHUMXIM-UHFFFAOYSA-N 0 0 392.915 5.639 50 0 GKAARN O=C(Nc1nonc1-c1cccs1)c1sc2cc(Cl)ccc2c1Cl ZINC000006669479 204190501 /nfs/dbraw/zinc/19/05/01/204190501.db2.gz JHMNXYYHHXFLGE-UHFFFAOYSA-N 0 0 396.280 5.572 50 0 GKAARN CC(C)CC(=O)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000006689932 204191735 /nfs/dbraw/zinc/19/17/35/204191735.db2.gz ACFINYLHNTVDEU-UHFFFAOYSA-N 0 0 394.346 5.023 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccc(C)cc3C)n2)cc1OC ZINC000006720341 204194049 /nfs/dbraw/zinc/19/40/49/204194049.db2.gz NTGFDPOJGGNILG-UHFFFAOYSA-N 0 0 385.467 5.674 50 0 GKAARN CCCCc1ccc(-c2nc3ccccc3c(Nc3ccc(C)c(C)c3)n2)cc1 ZINC000006720314 204194187 /nfs/dbraw/zinc/19/41/87/204194187.db2.gz TXXFPKFGGCEBGX-UHFFFAOYSA-N 0 0 381.523 7.000 50 0 GKAARN CCn1cc([C@H](CC(=O)N[C@@H](C)C(C)C)c2cccc(F)c2)c2ccccc21 ZINC000006713204 204194491 /nfs/dbraw/zinc/19/44/91/204194491.db2.gz RCDOQRLZOKFBNJ-LAUBAEHRSA-N 0 0 380.507 5.483 50 0 GKAARN CC(C)(C)C1CCC(O[C@]2(c3ccc(Cl)cc3)OC(=O)c3ccccc32)CC1 ZINC000006728444 204195577 /nfs/dbraw/zinc/19/55/77/204195577.db2.gz OSTPLECTILKQPI-GXKICPAOSA-N 0 0 398.930 6.333 50 0 GKAARN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc1S2 ZINC000006728562 204195859 /nfs/dbraw/zinc/19/58/59/204195859.db2.gz FQGYUWMANMDLLT-HZPDHXFCSA-N 0 0 378.541 5.718 50 0 GKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)C(C)(C)C)c2)c1 ZINC000006733919 204196584 /nfs/dbraw/zinc/19/65/84/204196584.db2.gz SAWWIIAPKBHNFK-FQEVSTJZSA-N 0 0 382.529 5.067 50 0 GKAARN Cc1cccc(-c2nnn3c2nc(NCc2ccccc2Cl)c2ccccc23)c1 ZINC000006738897 204198016 /nfs/dbraw/zinc/19/80/16/204198016.db2.gz WAKLRQAUEJEVAB-UHFFFAOYSA-N 0 0 399.885 5.518 50 0 GKAARN Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000006747486 204198149 /nfs/dbraw/zinc/19/81/49/204198149.db2.gz WIHBLYJAZXXACI-UHFFFAOYSA-N 0 0 391.511 5.493 50 0 GKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CC)c3cccc(OC)c3)c[nH]c21 ZINC000006740291 204198169 /nfs/dbraw/zinc/19/81/69/204198169.db2.gz QEVSZCRJJSEKCE-IERDGZPVSA-N 0 0 378.516 5.176 50 0 GKAARN O=c1cc(CSCc2ccc(Cl)cc2)nc2scc(-c3ccccc3)n21 ZINC000006738843 204198211 /nfs/dbraw/zinc/19/82/11/204198211.db2.gz SWHHGSADNHUZBJ-UHFFFAOYSA-N 0 0 398.940 5.510 50 0 GKAARN CC(C)CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000006739618 204198475 /nfs/dbraw/zinc/19/84/75/204198475.db2.gz GUNJUGDYWOEDIJ-HSZRJFAPSA-N 0 0 396.556 5.573 50 0 GKAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccs1 ZINC000006739237 204198561 /nfs/dbraw/zinc/19/85/61/204198561.db2.gz WFWJFHAGYJCVON-UHFFFAOYSA-N 0 0 392.436 5.008 50 0 GKAARN COc1cccc(CSc2nc3ccncc3n2Cc2ccc(Cl)cc2)c1 ZINC000006752273 204199352 /nfs/dbraw/zinc/19/93/52/204199352.db2.gz NFOWKMFKAAHJHE-UHFFFAOYSA-N 0 0 395.915 5.434 50 0 GKAARN COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2SC3)cc1OC ZINC000006751967 204199463 /nfs/dbraw/zinc/19/94/63/204199463.db2.gz RXZYMXMLMUPWOP-UHFFFAOYSA-N 0 0 383.494 5.290 50 0 GKAARN Cc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c3n2CCCCC3)cc1 ZINC000006749297 204199915 /nfs/dbraw/zinc/19/99/15/204199915.db2.gz UNNKGNVXUZSGHO-UHFFFAOYSA-N 0 0 393.918 5.168 50 0 GKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000006748767 204200084 /nfs/dbraw/zinc/20/00/84/204200084.db2.gz DYLXBTIUMTXSOS-CRAIPNDOSA-N 0 0 389.524 5.525 50 0 GKAARN Cc1c(C(=O)NC2CCCCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006751376 204200155 /nfs/dbraw/zinc/20/01/55/204200155.db2.gz VVZZTVKYVLKLQY-KRWDZBQOSA-N 0 0 397.515 5.323 50 0 biogenic GKAARN Oc1ccc(/C=C/c2nc3c(ccc4ccccc34)s2)cc1Br ZINC000006754275 204201583 /nfs/dbraw/zinc/20/15/83/204201583.db2.gz DVXYVMIGLWFYHB-UXBLZVDNSA-N 0 0 382.282 6.088 50 0 GKAARN Cc1cccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CCCC3)c1C ZINC000006768616 204202176 /nfs/dbraw/zinc/20/21/76/204202176.db2.gz AQEKTUPDLOAJRT-KRWDZBQOSA-N 0 0 393.556 5.917 50 0 GKAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccccc4F)ccc3Cl)oc2c1 ZINC000006775644 204202917 /nfs/dbraw/zinc/20/29/17/204202917.db2.gz FSECBFVPIKJXGD-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN Cc1c(C(=O)NC2CCCCCC2)oc2ccc3c(c12)C=CC1(CCCC1)O3 ZINC000006894476 204221907 /nfs/dbraw/zinc/22/19/07/204221907.db2.gz FARMTYNVNFIIGE-UHFFFAOYSA-N 0 0 379.500 5.912 50 0 biogenic GKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3cccc(C)c3)c2C(=O)[O-])cc1 ZINC000006899713 204222404 /nfs/dbraw/zinc/22/24/04/204222404.db2.gz MKYKRSTXRKYACK-UHFFFAOYSA-N 0 0 398.506 5.294 50 0 GKAARN Cc1cc(C)cc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)c1 ZINC000006902029 204222895 /nfs/dbraw/zinc/22/28/95/204222895.db2.gz DUBXCIHSTFUAHQ-UHFFFAOYSA-N 0 0 379.529 5.118 50 0 GKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)c(Cl)c1 ZINC000006902047 204223134 /nfs/dbraw/zinc/22/31/34/204223134.db2.gz DJASKJNDTYDPMB-UHFFFAOYSA-N 0 0 399.947 5.463 50 0 GKAARN CSc1ccc(CCNC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1 ZINC000006913978 204223611 /nfs/dbraw/zinc/22/36/11/204223611.db2.gz WUJIXTAPMRKZFE-UHFFFAOYSA-N 0 0 392.549 5.386 50 0 GKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(N2CCCc3ccccc32)s1 ZINC000006913795 204223927 /nfs/dbraw/zinc/22/39/27/204223927.db2.gz BOPJKFFROUHCTM-GOSISDBHSA-N 0 0 390.552 5.584 50 0 GKAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000006913958 204224090 /nfs/dbraw/zinc/22/40/90/204224090.db2.gz GEUKFAWIPUBADN-UHFFFAOYSA-N 0 0 396.899 5.915 50 0 GKAARN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)OC(=O)c1ccc(Cl)cc1 ZINC000006921841 204224866 /nfs/dbraw/zinc/22/48/66/204224866.db2.gz DYKSSILWJCXGPX-GFCCVEGCSA-N 0 0 392.307 6.343 50 0 GKAARN Cc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000006932383 204225378 /nfs/dbraw/zinc/22/53/78/204225378.db2.gz RIGCVTSUNIIIEZ-UHFFFAOYSA-N 0 0 394.279 5.312 50 0 GKAARN O=C(Cc1cccs1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000006983579 204228368 /nfs/dbraw/zinc/22/83/68/204228368.db2.gz RGPKOQALJXMQJV-SFHVURJKSA-N 0 0 394.927 5.374 50 0 GKAARN COc1cc(CN(C)C(=O)/C=C/c2cccs2)ccc1OCc1ccccc1 ZINC000006995011 204229075 /nfs/dbraw/zinc/22/90/75/204229075.db2.gz ULJIZKCBPJYKAL-ACCUITESSA-N 0 0 393.508 5.008 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)Nc3cc(C)cc(C)c3)c12 ZINC000007004043 204230183 /nfs/dbraw/zinc/23/01/83/204230183.db2.gz YGBHRWXOMDANCG-UHFFFAOYSA-N 0 0 384.483 5.215 50 0 GKAARN CC(=O)Nc1ccc(OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000007088179 204232422 /nfs/dbraw/zinc/23/24/22/204232422.db2.gz RXKVSTIPRAUSSM-UHFFFAOYSA-N 0 0 383.451 5.077 50 0 GKAARN CC(=O)c1sc(-c2ccc(OCc3nc(-c4cccs4)no3)cc2)nc1C ZINC000007066020 204232985 /nfs/dbraw/zinc/23/29/85/204232985.db2.gz BMMNWGWFBKWPQS-UHFFFAOYSA-N 0 0 397.481 5.012 50 0 GKAARN CC(=O)c1sc(-c2ccc(OCc3nc(-c4ccsc4)no3)cc2)nc1C ZINC000007066057 204233138 /nfs/dbraw/zinc/23/31/38/204233138.db2.gz ADGQVMQDPNJBEF-UHFFFAOYSA-N 0 0 397.481 5.012 50 0 GKAARN Cc1cc(C)c(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c(C)c1 ZINC000007141408 204234059 /nfs/dbraw/zinc/23/40/59/204234059.db2.gz MMILWRYSZNJVSV-UHFFFAOYSA-N 0 0 392.311 5.689 50 0 GKAARN Cc1ccccc1-c1nnc(SCc2nc(-c3cccc(Cl)c3)no2)o1 ZINC000007179962 204235180 /nfs/dbraw/zinc/23/51/80/204235180.db2.gz NWSPLRVIXPALHX-UHFFFAOYSA-N 0 0 384.848 5.041 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007238818 204235829 /nfs/dbraw/zinc/23/58/29/204235829.db2.gz YCJIUBJTHWMGSU-UHFFFAOYSA-N 0 0 380.753 5.575 50 0 GKAARN Cc1cc2oc(=O)cc(CN[C@@H](C)c3ccc(Cl)cc3Cl)c2cc1Cl ZINC000007267655 204237228 /nfs/dbraw/zinc/23/72/28/204237228.db2.gz SIOCOFZBFRLUGI-NSHDSACASA-N 0 0 396.701 5.912 50 0 GKAARN Clc1ccccc1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000007252222 204237239 /nfs/dbraw/zinc/23/72/39/204237239.db2.gz GVIROUIYHFTMNX-UHFFFAOYSA-N 0 0 380.698 5.180 50 0 GKAARN CC(C)c1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000007312491 204238341 /nfs/dbraw/zinc/23/83/41/204238341.db2.gz ASGKFRMMNGSXAA-UHFFFAOYSA-N 0 0 394.540 5.205 50 0 GKAARN 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CCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 ZINC000016161552 204590571 /nfs/dbraw/zinc/59/05/71/204590571.db2.gz HDCWPTIZUAQORP-UHFFFAOYSA-N 0 0 392.911 6.431 50 0 GKAARN CCc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2Cl)no1 ZINC000016162254 204591304 /nfs/dbraw/zinc/59/13/04/204591304.db2.gz VVULGFYPGWVHPX-UHFFFAOYSA-N 0 0 383.879 5.222 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc(F)c1 ZINC000015230790 204566189 /nfs/dbraw/zinc/56/61/89/204566189.db2.gz STKAGRSCQXMEPJ-UHFFFAOYSA-N 0 0 382.847 6.008 50 0 GKAARN COCCCn1c(-c2ccc(OC)c(Cl)c2)cs/c1=N\c1ccccc1 ZINC000016741635 204599928 /nfs/dbraw/zinc/59/99/28/204599928.db2.gz XWUBXIZYZUQIPZ-XDOYNYLZSA-N 0 0 388.920 5.148 50 0 GKAARN COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2Cc2ccccc2)cc1 ZINC000017206675 204609040 /nfs/dbraw/zinc/60/90/40/204609040.db2.gz LOYNKEKHGYYKNR-IZHYLOQSSA-N 0 0 386.520 5.814 50 0 GKAARN C[C@@H]1CC[C@]2(C[C@@H]3[C@H](C[C@@H]4[C@@H]5CC[C@@H]6CCCC[C@@H]6[C@@H]5[C@@H](O)C[C@@]43C)O2)OC1 ZINC000253590180 211993308 /nfs/dbraw/zinc/99/33/08/211993308.db2.gz CUKVYWXDZUNVHV-XJBKHBGSSA-N 0 0 388.592 5.158 50 0 GKAARN CCCCCCOc1ccc(NCCOc2cc(C)c(Cl)c(C)c2)cc1 ZINC000019738137 204678199 /nfs/dbraw/zinc/67/81/99/204678199.db2.gz AJALTHIEVVBMIG-UHFFFAOYSA-N 0 0 375.940 6.407 50 0 GKAARN C[C@@H](CNc1cccc(OCCCc2ccccc2)c1)Oc1ccccc1Cl ZINC000019738510 204679159 /nfs/dbraw/zinc/67/91/59/204679159.db2.gz FZDUGAMKCRJAFA-IBGZPJMESA-N 0 0 395.930 6.231 50 0 GKAARN CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000019879715 204688858 /nfs/dbraw/zinc/68/88/58/204688858.db2.gz IDZWPEFKFRCPQU-UTKZUKDTSA-N 0 0 386.879 5.027 50 0 GKAARN COc1ccccc1N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020275051 204710711 /nfs/dbraw/zinc/71/07/11/204710711.db2.gz UMLFRYQRDFRLGI-HXUWFJFHSA-N 0 0 391.858 5.600 50 0 GKAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1C1CCCCC1 ZINC000020387079 204713846 /nfs/dbraw/zinc/71/38/46/204713846.db2.gz GLZLHHIYDLGOIQ-VWLOTQADSA-N 0 0 396.575 5.005 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(Cl)cc3C)c12 ZINC000020578907 204730333 /nfs/dbraw/zinc/73/03/33/204730333.db2.gz WYNKTQABOXJOAK-UHFFFAOYSA-N 0 0 390.874 5.251 50 0 GKAARN CC[C@H](C)n1c2nc(-c3ccc(OC)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603532 204731421 /nfs/dbraw/zinc/73/14/21/204731421.db2.gz XSOBLUYZELJIGK-JTQLQIEISA-N 0 0 391.443 5.038 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(O)cc2)cc3C(F)(F)F)cc1 ZINC000020604701 204732240 /nfs/dbraw/zinc/73/22/40/204732240.db2.gz VWPBWTBWBOCVET-UHFFFAOYSA-N 0 0 399.372 5.129 50 0 GKAARN Cc1cc(C)cc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c1 ZINC000021656591 204760598 /nfs/dbraw/zinc/76/05/98/204760598.db2.gz MIPKXSWUOOFASV-UHFFFAOYSA-N 0 0 387.508 5.534 50 0 GKAARN CSc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(C)cs2)cc1 ZINC000021658634 204760865 /nfs/dbraw/zinc/76/08/65/204760865.db2.gz URNXORFFFJYMTN-IBGZPJMESA-N 0 0 399.972 6.183 50 0 GKAARN CCc1c(C)sc2c1CCN(C(=O)NC1CCCC1)[C@H]2c1ccc(F)cc1 ZINC000021048996 204750502 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Cc1nn(-c2nc3ccccc3s2)c2nc(C(C)(C)C)cc(C(F)(F)F)c12 ZINC000021786878 204764339 /nfs/dbraw/zinc/76/43/39/204764339.db2.gz GGWKEIFNSCFTKD-UHFFFAOYSA-N 0 0 390.434 5.655 50 0 GKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1CC ZINC000021890020 204768622 /nfs/dbraw/zinc/76/86/22/204768622.db2.gz VCINOYGPBOIDKZ-IBGZPJMESA-N 0 0 375.472 5.375 50 0 GKAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934498 204770365 /nfs/dbraw/zinc/77/03/65/204770365.db2.gz XGWVBBCPCULLDR-NRFANRHFSA-N 0 0 379.463 5.104 50 0 GKAARN CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000022053742 204773356 /nfs/dbraw/zinc/77/33/56/204773356.db2.gz UMLSFGLXYOSGJH-XMMPIXPASA-N 0 0 388.419 5.139 50 0 in-vitro GKAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000022245858 204777941 /nfs/dbraw/zinc/77/79/41/204777941.db2.gz DJOXJINFWBAHSR-UHFFFAOYSA-N 0 0 395.381 5.605 50 0 GKAARN O=C(c1cc(F)ccc1Cl)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022623934 204786395 /nfs/dbraw/zinc/78/63/95/204786395.db2.gz ARLSKNCINKLITK-UHFFFAOYSA-N 0 0 399.815 5.593 50 0 GKAARN Cc1ccc(NC(=O)/C=C\c2ccccc2)cc1NC(=O)/C=C/c1ccccc1 ZINC000033294171 211946018 /nfs/dbraw/zinc/94/60/18/211946018.db2.gz OBQLDHYFNOZTFB-FEUFJANWSA-N 0 0 382.463 5.299 50 0 GKAARN O=C(CSc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000021715419 204762101 /nfs/dbraw/zinc/76/21/01/204762101.db2.gz XVOZXSFXUBQLPA-RUZDIDTESA-N 0 0 398.531 5.434 50 0 GKAARN CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2ccccc2)n1 ZINC000023317006 204802211 /nfs/dbraw/zinc/80/22/11/204802211.db2.gz SGUUQHMJBJXLMU-UHFFFAOYSA-N 0 0 388.298 5.729 50 0 GKAARN COc1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023324635 204802505 /nfs/dbraw/zinc/80/25/05/204802505.db2.gz LTKNADLLOUGICC-QFIPXVFZSA-N 0 0 392.886 5.528 50 0 GKAARN COc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023324639 204803627 /nfs/dbraw/zinc/80/36/27/204803627.db2.gz LTKNADLLOUGICC-JOCHJYFZSA-N 0 0 392.886 5.528 50 0 GKAARN CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000023326391 204803690 /nfs/dbraw/zinc/80/36/90/204803690.db2.gz ODWUGDXAZYFUMW-XMMPIXPASA-N 0 0 387.498 5.911 50 0 GKAARN O=C(c1ccc(F)c(F)c1)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023325512 204803780 /nfs/dbraw/zinc/80/37/80/204803780.db2.gz DLLQREHFCBSBKU-NRFANRHFSA-N 0 0 383.825 5.406 50 0 GKAARN CCOc1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000023321868 204803786 /nfs/dbraw/zinc/80/37/86/204803786.db2.gz MVVCWLINCYRLPE-DEOSSOPVSA-N 0 0 386.495 5.573 50 0 GKAARN CC(=O)N(CC[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000032096539 211939696 /nfs/dbraw/zinc/93/96/96/211939696.db2.gz NGDVGMHCNPYKDN-DNQXCXABSA-N 0 0 379.544 5.209 50 0 GKAARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCCCC3)cc21 ZINC000226074765 211939397 /nfs/dbraw/zinc/93/93/97/211939397.db2.gz RXWRQXVVHGRDBU-LJQANCHMSA-N 0 0 392.612 6.140 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)CSCc1cccc(C(F)(F)F)c1 ZINC000023411205 204807813 /nfs/dbraw/zinc/80/78/13/204807813.db2.gz LHKPPBMYMUQUJF-UHFFFAOYSA-N 0 0 389.826 5.239 50 0 GKAARN CN(Cc1ccc(Cl)s1)Cn1nc(-c2cccs2)n(C2CC2)c1=S ZINC000023841119 204813456 /nfs/dbraw/zinc/81/34/56/204813456.db2.gz FIBCDIFLUWFUJA-UHFFFAOYSA-N 0 0 396.994 5.282 50 0 GKAARN O=C(CCCC(=O)c1cccs1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000024755836 204824510 /nfs/dbraw/zinc/82/45/10/204824510.db2.gz UZRYXMGPTDLJNR-FQEVSTJZSA-N 0 0 387.501 5.208 50 0 GKAARN C[C@H](O)c1ccc(C2(CNC(=O)c3cc4ccccc4s3)CCCC2)s1 ZINC000225682827 211916422 /nfs/dbraw/zinc/91/64/22/211916422.db2.gz KRBIBTREVKCYDJ-AWEZNQCLSA-N 0 0 385.554 5.258 50 0 GKAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)c1C ZINC000028292957 204873084 /nfs/dbraw/zinc/87/30/84/204873084.db2.gz CAKUCRHUUBPGSM-SFHVURJKSA-N 0 0 394.902 5.353 50 0 GKAARN O=C(Cc1cccc2ccccc21)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000225740880 211922573 /nfs/dbraw/zinc/92/25/73/211922573.db2.gz MYSAGEMWWKTKCR-JOCHJYFZSA-N 0 0 379.500 5.228 50 0 GKAARN Cc1ccc(-n2c(=O)c3[nH]cc(-c4ccccc4)c3nc2SC(C)C)cc1 ZINC000225541654 211905444 /nfs/dbraw/zinc/90/54/44/211905444.db2.gz PLRKJADQOOBABC-UHFFFAOYSA-N 0 0 375.497 5.190 50 0 GKAARN Clc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)no2)cc1 ZINC000029390069 211910459 /nfs/dbraw/zinc/91/04/59/211910459.db2.gz SCMCTGCWXIQULL-UHFFFAOYSA-N 0 0 376.869 5.113 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 ZINC000040143278 204881279 /nfs/dbraw/zinc/88/12/79/204881279.db2.gz HQECNOSVXXFALI-UHFFFAOYSA-N 0 0 391.652 5.039 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2C)sc2c1[C@H](c1cccnc1)CC(=O)N2 ZINC000031821030 204905711 /nfs/dbraw/zinc/90/57/11/204905711.db2.gz XQRQXYCUSGIFSF-HNNXBMFYSA-N 0 0 377.469 5.136 50 0 GKAARN COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)C(C)(C)C ZINC000032093938 204909292 /nfs/dbraw/zinc/90/92/92/204909292.db2.gz SWKGGWGHZITRKI-UHFFFAOYSA-N 0 0 385.533 5.013 50 0 GKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1ccccc1)CC(=O)N2 ZINC000032095897 204910204 /nfs/dbraw/zinc/91/02/04/204910204.db2.gz XEPGJLVADNHXDH-INIZCTEOSA-N 0 0 380.444 5.572 50 0 GKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000032985617 204936927 /nfs/dbraw/zinc/93/69/27/204936927.db2.gz SGAUCYTXTRXFSG-UHFFFAOYSA-N 0 0 398.462 5.236 50 0 GKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(C)c(C)c3)cc2C)s1 ZINC000033008273 204937924 /nfs/dbraw/zinc/93/79/24/204937924.db2.gz NYHVIALXMJFHMQ-UHFFFAOYSA-N 0 0 382.489 5.214 50 0 GKAARN CCCN(CCC)C(=O)c1ccc(Nc2cc(-c3ccc(C)cc3)ncn2)cc1 ZINC000033010774 204938397 /nfs/dbraw/zinc/93/83/97/204938397.db2.gz WPSYPXKIDHVDAF-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN CCCCC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000033078120 204944943 /nfs/dbraw/zinc/94/49/43/204944943.db2.gz AFIMDETTYZRQCQ-UHFFFAOYSA-N 0 0 375.476 5.401 50 0 biogenic GKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)cc1 ZINC000033084436 204945099 /nfs/dbraw/zinc/94/50/99/204945099.db2.gz LXFSVSBXEWICJT-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN CCc1ccc(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)cc1 ZINC000033084355 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ZINC000046012639 205101268 /nfs/dbraw/zinc/10/12/68/205101268.db2.gz PFBRXMFFKKNRNF-UHFFFAOYSA-N 0 0 382.467 5.057 50 0 GKAARN Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000046012659 205101414 /nfs/dbraw/zinc/10/14/14/205101414.db2.gz BZFPQIRAGKCZTP-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(OCc3cccc(C(F)(F)F)c3)cc(C)c12 ZINC000045995260 205101604 /nfs/dbraw/zinc/10/16/04/205101604.db2.gz XMMLNXMZCUQHDD-UHFFFAOYSA-N 0 0 397.400 5.635 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1OC ZINC000046076576 205104809 /nfs/dbraw/zinc/10/48/09/205104809.db2.gz OOTBZHRAVQXPHO-AWEZNQCLSA-N 0 0 383.444 5.046 50 0 GKAARN O=C(Nc1cccc(Br)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000051354379 205133903 /nfs/dbraw/zinc/13/39/03/205133903.db2.gz KAXXATMONDZDKV-UHFFFAOYSA-N 0 0 393.590 5.765 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c(C)c1 ZINC000057519950 205158998 /nfs/dbraw/zinc/15/89/98/205158998.db2.gz YWZGKUHYUAWCOY-UHFFFAOYSA-N 0 0 395.503 5.247 50 0 GKAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(Cl)cc1)NC2 ZINC000055211407 205146050 /nfs/dbraw/zinc/14/60/50/205146050.db2.gz XSFIKCCVRWPVDR-QFIPXVFZSA-N 0 0 382.891 5.121 50 0 GKAARN Cc1cc(C)cc(NC(=O)C(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)c1 ZINC000005749775 209123600 /nfs/dbraw/zinc/12/36/00/209123600.db2.gz GGCROFYHURCYMV-UHFFFAOYSA-N 0 0 386.495 5.281 50 0 GKAARN CC(C)(C)[C@H]1CC(=Cc2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)C2C1 ZINC000057374823 205156397 /nfs/dbraw/zinc/15/63/97/205156397.db2.gz FYALKTBMCAUHTR-FIEBPNJBSA-N 0 0 388.580 5.999 50 0 GKAARN S=C1N=C(C23CC4CC(CC(C4)C2)C3)C[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000050097617 205129980 /nfs/dbraw/zinc/12/99/80/205129980.db2.gz XDYJTOAEOCFCDO-SUZAXQQNSA-N 0 0 393.383 5.613 50 0 GKAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCCC[C@H]1C ZINC000063855669 205187141 /nfs/dbraw/zinc/18/71/41/205187141.db2.gz QHKAKRJOBCPMNK-QGZVFWFLSA-N 0 0 376.504 5.002 50 0 GKAARN FC(F)(F)c1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2)cc1 ZINC000057510959 205160100 /nfs/dbraw/zinc/16/01/00/205160100.db2.gz JQKXUJBMQZTUOI-UHFFFAOYSA-N 0 0 390.752 5.466 50 0 GKAARN Cc1ccc(NC(=O)[C@H](C)SC(c2ccccc2)c2ccccc2)cc1F ZINC000058017893 205163041 /nfs/dbraw/zinc/16/30/41/205163041.db2.gz XMZYYBXHSJKPDL-KRWDZBQOSA-N 0 0 379.500 5.984 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(Cl)cc1)CO3 ZINC000058088599 205163973 /nfs/dbraw/zinc/16/39/73/205163973.db2.gz IOYCMICHQAZUKB-UHFFFAOYSA-N 0 0 397.902 5.450 50 0 biogenic GKAARN Cc1cc(C)c(NC(=S)N2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000058096099 205164198 /nfs/dbraw/zinc/16/41/98/205164198.db2.gz CWOJWPIBYVZYOE-UHFFFAOYSA-N 0 0 387.980 5.127 50 0 GKAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCCC[C@H]1Cc1ccccc1 ZINC000058179169 205166936 /nfs/dbraw/zinc/16/69/36/205166936.db2.gz FUANUFMIKLTCKQ-NRFANRHFSA-N 0 0 392.474 5.037 50 0 GKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cccnc1Cl ZINC000058209912 205168848 /nfs/dbraw/zinc/16/88/48/205168848.db2.gz UOVXNSKBTJXISX-UHFFFAOYSA-N 0 0 388.902 5.220 50 0 GKAARN Cc1cc(C)cc(N(C(=O)c2ccco2)c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000058391766 205173925 /nfs/dbraw/zinc/17/39/25/205173925.db2.gz GUJBDCUZFAXUAG-UHFFFAOYSA-N 0 0 392.455 6.138 50 0 GKAARN O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000058406840 205174358 /nfs/dbraw/zinc/17/43/58/205174358.db2.gz WQCQAQCBGVSOIM-HXUWFJFHSA-N 0 0 397.316 5.158 50 0 GKAARN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cc2c(nc3sccn23)s1 ZINC000058406803 205174782 /nfs/dbraw/zinc/17/47/82/205174782.db2.gz ZZNQFLHYKPNGRM-NSHDSACASA-N 0 0 395.431 5.034 50 0 GKAARN CCCN(C(=O)Nc1ccc(NC(=O)OCC)cc1)[C@@H]1CCc2ccccc21 ZINC000058392384 205175270 /nfs/dbraw/zinc/17/52/70/205175270.db2.gz HPNCQPPUSWJXJU-HXUWFJFHSA-N 0 0 381.476 5.186 50 0 GKAARN O=C(CSCc1cccc(Cl)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000059306773 205179089 /nfs/dbraw/zinc/17/90/89/205179089.db2.gz OSHXMFNVKRTLKF-UHFFFAOYSA-N 0 0 395.233 5.279 50 0 GKAARN CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc54)cnn3c2)cc1 ZINC000062260292 205185290 /nfs/dbraw/zinc/18/52/90/205185290.db2.gz JMIFGARJSWXZSH-UHFFFAOYSA-N 0 0 380.451 5.399 50 0 in-vitro GKAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000064887890 205199100 /nfs/dbraw/zinc/19/91/00/205199100.db2.gz LKYSBAQATFUZKU-UHFFFAOYSA-N 0 0 389.886 5.095 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000064872320 205199895 /nfs/dbraw/zinc/19/98/95/205199895.db2.gz LEFCMAGOKZKLNF-UHFFFAOYSA-N 0 0 390.483 6.214 50 0 GKAARN CCc1ccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1 ZINC000064968204 205203125 /nfs/dbraw/zinc/20/31/25/205203125.db2.gz NTQBKGYQOZVGNF-UHFFFAOYSA-N 0 0 384.479 5.105 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccc(Cl)cc2)C1(C)C ZINC000003765627 209117319 /nfs/dbraw/zinc/11/73/19/209117319.db2.gz HMTLTEAOUNAOLH-GHTZIAJQSA-N 0 0 380.919 5.689 50 0 GKAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000064984192 205204316 /nfs/dbraw/zinc/20/43/16/205204316.db2.gz CMYOTPWEESKVHJ-IBGZPJMESA-N 0 0 377.575 5.486 50 0 GKAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1 ZINC000065005440 205206287 /nfs/dbraw/zinc/20/62/87/205206287.db2.gz DIFFRNVAKSHHNA-UHFFFAOYSA-N 0 0 389.386 5.293 50 0 GKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1 ZINC000065005313 205206345 /nfs/dbraw/zinc/20/63/45/205206345.db2.gz CCQUOYQLWIZNQP-UHFFFAOYSA-N 0 0 377.425 5.216 50 0 GKAARN CCCOc1c2cc(NC(=O)Nc3ccccc3C)ccc2sc1C(=O)OC ZINC000065022972 205207103 /nfs/dbraw/zinc/20/71/03/205207103.db2.gz NAZDVJXNQWMIHT-UHFFFAOYSA-N 0 0 398.484 5.429 50 0 GKAARN Cc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)c(Cl)c1 ZINC000065029685 205207437 /nfs/dbraw/zinc/20/74/37/205207437.db2.gz BNQZMRDBBHTTRP-UHFFFAOYSA-N 0 0 398.869 5.580 50 0 GKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3cccs3)cc21 ZINC000065034163 205208574 /nfs/dbraw/zinc/20/85/74/205208574.db2.gz CPJQILYHWLDMBC-UHFFFAOYSA-N 0 0 388.492 5.923 50 0 GKAARN COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3cccs3)cc21 ZINC000065034177 205208893 /nfs/dbraw/zinc/20/88/93/205208893.db2.gz LCWSUYAIYUOLOK-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccccc2C(F)(F)F)n1 ZINC000065114245 205210319 /nfs/dbraw/zinc/21/03/19/205210319.db2.gz BIOJCAXKPRXFJT-UHFFFAOYSA-N 0 0 389.377 5.266 50 0 GKAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1cc(C(F)(F)F)ccc1Cl ZINC000065114094 205210655 /nfs/dbraw/zinc/21/06/55/205210655.db2.gz PFISFYMEHWTRCQ-UHFFFAOYSA-N 0 0 395.768 5.141 50 0 GKAARN COc1ccc2oc(-c3noc(-c4ccc(Br)cc4)n3)c(C)c2c1 ZINC000065097276 205210720 /nfs/dbraw/zinc/21/07/20/205210720.db2.gz JKVTXPHEBMEGRT-UHFFFAOYSA-N 0 0 385.217 5.229 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cc(F)ccc2C)n1 ZINC000065114645 205210897 /nfs/dbraw/zinc/21/08/97/205210897.db2.gz VYTMAJSEPBZRLZ-UHFFFAOYSA-N 0 0 392.478 5.001 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2cccc(Cl)c2)n1 ZINC000065114566 205211142 /nfs/dbraw/zinc/21/11/42/205211142.db2.gz VHDCPJJFLLQKGB-CQSZACIVSA-N 0 0 394.906 5.207 50 0 GKAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)cc1 ZINC000065135473 205211702 /nfs/dbraw/zinc/21/17/02/205211702.db2.gz WJPUWYNBYJBXQQ-LJQANCHMSA-N 0 0 391.902 5.125 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165082 205214052 /nfs/dbraw/zinc/21/40/52/205214052.db2.gz XSKYUDGDFLEJSA-UHFFFAOYSA-N 0 0 398.919 5.019 50 0 GKAARN CCc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153734 205214192 /nfs/dbraw/zinc/21/41/92/205214192.db2.gz ZTWGOEDEOIGUEW-UHFFFAOYSA-N 0 0 380.451 5.020 50 0 GKAARN Cc1cccc(C)c1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000064471607 205190317 /nfs/dbraw/zinc/19/03/17/205190317.db2.gz ZCIAKHJXKKWGQN-UHFFFAOYSA-N 0 0 377.463 5.360 50 0 GKAARN CCc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(OC)cc32)cc1 ZINC000064473998 205190567 /nfs/dbraw/zinc/19/05/67/205190567.db2.gz YYSZYWIXMGTZOT-UHFFFAOYSA-N 0 0 389.499 5.176 50 0 GKAARN CCOc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471600 205190643 /nfs/dbraw/zinc/19/06/43/205190643.db2.gz PDZROELVNIBJFL-UHFFFAOYSA-N 0 0 393.462 5.142 50 0 GKAARN Cc1c(Cl)cccc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000064471608 205190716 /nfs/dbraw/zinc/19/07/16/205190716.db2.gz UNSZNGLDWKIZIR-UHFFFAOYSA-N 0 0 397.881 5.705 50 0 GKAARN Cc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c(C)c1 ZINC000064472644 205191083 /nfs/dbraw/zinc/19/10/83/205191083.db2.gz PCWZDEPDVPEUBT-UHFFFAOYSA-N 0 0 390.483 6.214 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)c1 ZINC000064605866 205191509 /nfs/dbraw/zinc/19/15/09/205191509.db2.gz FANMZLHNNBTEIA-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Nc3ncc(-c4cccc(C)c4)cn3)c2)c1 ZINC000064605770 205192524 /nfs/dbraw/zinc/19/25/24/205192524.db2.gz STHVGJNNBWDRBK-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN CCOc1ccc(NC(=O)Nc2c(-c3ccc(C)cc3)nc3ccccn32)cc1 ZINC000064611157 205192795 /nfs/dbraw/zinc/19/27/95/205192795.db2.gz UMEYIHIUHHRREH-UHFFFAOYSA-N 0 0 386.455 5.352 50 0 GKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NCc4ccccc4)c3)nc2)c1 ZINC000064605811 205192917 /nfs/dbraw/zinc/19/29/17/205192917.db2.gz QEQYAZOGPYORFA-UHFFFAOYSA-N 0 0 394.478 5.126 50 0 GKAARN CCc1nc(-c2cccc(-c3noc(COc4ccc(F)cc4)n3)c2)cs1 ZINC000064677039 205193198 /nfs/dbraw/zinc/19/31/98/205193198.db2.gz BRLDXHHUUUEBTO-UHFFFAOYSA-N 0 0 381.432 5.141 50 0 GKAARN CSc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3cccc(C)c3)no2)c1 ZINC000064747379 205193521 /nfs/dbraw/zinc/19/35/21/205193521.db2.gz YDTXNSMCAPKFTP-GOSISDBHSA-N 0 0 394.500 5.136 50 0 GKAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000064758006 205194097 /nfs/dbraw/zinc/19/40/97/205194097.db2.gz DWCAVGIMPWJNSI-UHFFFAOYSA-N 0 0 394.544 5.249 50 0 GKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000064801241 205194712 /nfs/dbraw/zinc/19/47/12/205194712.db2.gz IHGPCBYRVQIJPK-UHFFFAOYSA-N 0 0 396.882 5.258 50 0 GKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(C)c2)n1 ZINC000067296831 205245223 /nfs/dbraw/zinc/24/52/23/205245223.db2.gz GSMCBCIMNKAJMH-RWEWTDSWSA-N 0 0 387.414 5.068 50 0 GKAARN Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)ccc1Cl ZINC000067296182 205245297 /nfs/dbraw/zinc/24/52/97/205245297.db2.gz 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205245802 /nfs/dbraw/zinc/24/58/02/205245802.db2.gz XGBHQMMGYLYKAK-NKFKGCMQSA-N 0 0 399.834 5.167 50 0 GKAARN CCCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1Cl ZINC000067259708 205244635 /nfs/dbraw/zinc/24/46/35/205244635.db2.gz VKWKLRSXKZBNHF-UHFFFAOYSA-N 0 0 376.884 5.281 50 0 GKAARN Cc1ccccc1CSc1nc2ccsc2c(=O)n1Cc1ccccc1F ZINC000067259883 205244816 /nfs/dbraw/zinc/24/48/16/205244816.db2.gz CDIHIILEXPWOHW-UHFFFAOYSA-N 0 0 396.512 5.246 50 0 GKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 ZINC000067297380 205244917 /nfs/dbraw/zinc/24/49/17/205244917.db2.gz FOZVSGWLUSSNRK-BZZOAKBMSA-N 0 0 386.476 5.639 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219057 205219076 /nfs/dbraw/zinc/21/90/76/205219076.db2.gz AZIMGHUWGBDELG-UHFFFAOYSA-N 0 0 379.416 5.165 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000069270559 205272343 /nfs/dbraw/zinc/27/23/43/205272343.db2.gz IMUPVHUDOGQLTJ-XJKSGUPXSA-N 0 0 376.859 5.237 50 0 GKAARN 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SHUZRAZOSHICHD-UHFFFAOYSA-N 0 0 381.545 5.574 50 0 GKAARN CC(C)c1ccc(/C=C\C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 ZINC000006307374 211576696 /nfs/dbraw/zinc/57/66/96/211576696.db2.gz DVKVKWRQYLSQEI-FLIBITNWSA-N 0 0 396.943 6.163 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000253400162 206282709 /nfs/dbraw/zinc/28/27/09/206282709.db2.gz DRFGWLZFKNIZOB-FQEVSTJZSA-N 0 0 382.463 5.172 50 0 biogenic GKAARN CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497909 206284680 /nfs/dbraw/zinc/28/46/80/206284680.db2.gz NYJPQNDSCIEILZ-SSIFNJKCSA-N 0 0 386.620 6.322 50 0 GKAARN CCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 ZINC000004941134 211554583 /nfs/dbraw/zinc/55/45/83/211554583.db2.gz VMIOZVNCRJMLCW-UHFFFAOYSA-N 0 0 390.874 5.197 50 0 GKAARN CSc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000004517507 211547378 /nfs/dbraw/zinc/54/73/78/211547378.db2.gz BZDZOHKJGSSGPX-UHFFFAOYSA-N 0 0 376.506 5.938 50 0 GKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000263588632 206289032 /nfs/dbraw/zinc/28/90/32/206289032.db2.gz WJORPUZBWVHBQL-LJQANCHMSA-N 0 0 393.874 5.119 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)SC1CCCCC1)CCCC2 ZINC000004263103 211536315 /nfs/dbraw/zinc/53/63/15/211536315.db2.gz PCADJQSJJFJTKQ-ZDUSSCGKSA-N 0 0 395.590 5.197 50 0 GKAARN Cc1oc2ccc(OCc3ccc(Cl)cc3Cl)cc2c1C(=O)OC(C)C ZINC000000946551 206290728 /nfs/dbraw/zinc/29/07/28/206290728.db2.gz BHZHWRXYDXJULW-UHFFFAOYSA-N 0 0 393.266 6.192 50 0 GKAARN CC(C)(C)n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)CSC2 ZINC000004088670 211532625 /nfs/dbraw/zinc/53/26/25/211532625.db2.gz JGZXWYGWJGGYEQ-UHFFFAOYSA-N 0 0 391.540 5.156 50 0 GKAARN Cc1cc(C)c(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)c(C)c1 ZINC000004071760 211529553 /nfs/dbraw/zinc/52/95/53/211529553.db2.gz KJMZNYRXMUHVHZ-UHFFFAOYSA-N 0 0 390.430 6.006 50 0 GKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccccc1 ZINC000001133390 206290155 /nfs/dbraw/zinc/29/01/55/206290155.db2.gz YRNZRXCWBOAHNB-OAQYLSRUSA-N 0 0 377.484 5.249 50 0 biogenic GKAARN CCOc1ccc(C(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)cc1 ZINC000003327780 211521723 /nfs/dbraw/zinc/52/17/23/211521723.db2.gz YKIBFXRKWVBFOZ-UHFFFAOYSA-N 0 0 399.541 5.272 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(Cl)cc(Cl)c1 ZINC000003187198 211520593 /nfs/dbraw/zinc/52/05/93/211520593.db2.gz BLWQXMMIJPVNQL-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000003201042 211519444 /nfs/dbraw/zinc/51/94/44/211519444.db2.gz TYCIWMHQNOIFMD-UHFFFAOYSA-N 0 0 381.357 5.501 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 ZINC000002961368 211518256 /nfs/dbraw/zinc/51/82/56/211518256.db2.gz HSQOYNXRTLRMJZ-UHFFFAOYSA-N 0 0 375.453 5.009 50 0 GKAARN COc1ccccc1-c1cncnc1-c1ccc(OCc2ccccc2)cc1O ZINC000002437677 206291737 /nfs/dbraw/zinc/29/17/37/206291737.db2.gz LWGCSTKWHQRXFB-UHFFFAOYSA-N 0 0 384.435 5.104 50 0 GKAARN CCc1cc(=O)oc2cc(C)c3c(-c4ccc(-c5ccccc5)cc4)coc3c12 ZINC000002091650 206291832 /nfs/dbraw/zinc/29/18/32/206291832.db2.gz TUOJBIXKXZXIJH-UHFFFAOYSA-N 0 0 380.443 6.744 50 0 biogenic GKAARN COc1ccc(Oc2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 ZINC000002097062 206291884 /nfs/dbraw/zinc/29/18/84/206291884.db2.gz LWGMHYARCLZIEH-UHFFFAOYSA-N 0 0 388.419 5.481 50 0 biogenic GKAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003262162 211522655 /nfs/dbraw/zinc/52/26/55/211522655.db2.gz WLPQPFTXFDIVBY-UHFFFAOYSA-N 0 0 387.479 5.581 50 0 GKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1ccc(Cl)cc1 ZINC000001447958 206292259 /nfs/dbraw/zinc/29/22/59/206292259.db2.gz CLISGGXETPCPHF-UHFFFAOYSA-N 0 0 376.795 5.333 50 0 GKAARN COc1ccccc1-c1cnoc1-c1ccc(OCc2ccccc2F)cc1O ZINC000005353452 206293009 /nfs/dbraw/zinc/29/30/09/206293009.db2.gz LHDIIGCXSLKEDX-UHFFFAOYSA-N 0 0 391.398 5.441 50 0 GKAARN Cc1ccccc1-c1cc(=O)c2cc(NC(=O)/C=C/c3ccccc3)ccc2o1 ZINC000009660072 206294426 /nfs/dbraw/zinc/29/44/26/206294426.db2.gz QVMNYMOGNHISEQ-SDNWHVSQSA-N 0 0 381.431 5.420 50 0 GKAARN COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)c1 ZINC000009659864 206295538 /nfs/dbraw/zinc/29/55/38/206295538.db2.gz NJYSPDKTDNBTTP-UHFFFAOYSA-N 0 0 385.419 5.233 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccccc3F)c2c1 ZINC000015880502 206296584 /nfs/dbraw/zinc/29/65/84/206296584.db2.gz RDSLHTXCQIOJRN-UHFFFAOYSA-N 0 0 375.399 5.890 50 0 GKAARN COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2)cc1 ZINC000015729472 206296825 /nfs/dbraw/zinc/29/68/25/206296825.db2.gz GCWAYPJIDDXOMV-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN Cc1cccc(-c2cc(=O)c3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)c1 ZINC000009660074 206294509 /nfs/dbraw/zinc/29/45/09/206294509.db2.gz YWIPEESTRBKUGQ-JLHYYAGUSA-N 0 0 381.431 5.420 50 0 GKAARN Cc1cc(C)c2c(c1)oc(=O)cc2-c1oc2ccccc2c1NC(=O)c1ccco1 ZINC000011865178 206294542 /nfs/dbraw/zinc/29/45/42/206294542.db2.gz NLGOVALQJDKOQH-UHFFFAOYSA-N 0 0 399.402 5.668 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1 ZINC000009660133 206294891 /nfs/dbraw/zinc/29/48/91/206294891.db2.gz AMAFDYISKRFALT-UHFFFAOYSA-N 0 0 397.474 6.010 50 0 GKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OC/C=C/c2ccccc2)cc1O ZINC000008740937 206295053 /nfs/dbraw/zinc/29/50/53/206295053.db2.gz ZMUPXQIHZPKQSR-JXMROGBWSA-N 0 0 398.462 5.550 50 0 GKAARN CC(C)[C@@H](CCNC(=O)C[C@@H](Cc1ccccc1)c1ccco1)c1ccco1 ZINC000002218717 211514141 /nfs/dbraw/zinc/51/41/41/211514141.db2.gz WOVQBAKDGWRITN-NHCUHLMSSA-N 0 0 379.500 5.535 50 0 GKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4)cc3c2C)cc1 ZINC000015729456 206297109 /nfs/dbraw/zinc/29/71/09/206297109.db2.gz PCIYYEBBWCLNHG-UHFFFAOYSA-N 0 0 385.419 5.233 50 0 GKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccccc1Cl ZINC000015880469 206297179 /nfs/dbraw/zinc/29/71/79/206297179.db2.gz DHJNMPJMASFNSO-UHFFFAOYSA-N 0 0 391.854 6.226 50 0 GKAARN O=C(c1ccc(Br)cc1F)N(Cc1ccco1)Cc1cccs1 ZINC000024460839 206299405 /nfs/dbraw/zinc/29/94/05/206299405.db2.gz ASLOQUXPYAHXEX-UHFFFAOYSA-N 0 0 394.265 5.085 50 0 GKAARN CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000000902656 206331275 /nfs/dbraw/zinc/33/12/75/206331275.db2.gz LXRANVJVIIVFGH-UHFFFAOYSA-N 0 0 391.496 5.057 50 0 GKAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CCC3CCCC3)ccc1O2 ZINC000009135326 206308370 /nfs/dbraw/zinc/30/83/70/206308370.db2.gz IMBLVSVTYCMACO-UHFFFAOYSA-N 0 0 378.472 5.286 50 0 GKAARN O=C(CSc1cccc2cccnc21)Nc1nc(-c2ccccc2)cs1 ZINC000000626272 206309252 /nfs/dbraw/zinc/30/92/52/206309252.db2.gz MPGHXNXLNMLVPS-UHFFFAOYSA-N 0 0 377.494 5.089 50 0 GKAARN O=C(CSc1nnc2ccc3ccccc3n21)c1ccc(Cl)c(Cl)c1 ZINC000000630381 206310038 /nfs/dbraw/zinc/31/00/38/206310038.db2.gz CTEVMCZNGZUOFJ-UHFFFAOYSA-N 0 0 388.279 5.164 50 0 GKAARN Cc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 ZINC000000637889 206310559 /nfs/dbraw/zinc/31/05/59/206310559.db2.gz KKEFHHMXQCJZAV-UHFFFAOYSA-N 0 0 377.296 5.601 50 0 GKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000000637812 206310575 /nfs/dbraw/zinc/31/05/75/206310575.db2.gz DGFWBBXGSANCRO-JOCHJYFZSA-N 0 0 398.911 5.436 50 0 GKAARN c1cnc2c(c1)cccc2OCc1ccc(COc2cccc3cccnc32)cc1 ZINC000000640978 206310580 /nfs/dbraw/zinc/31/05/80/206310580.db2.gz LUMUNWBFKLCHRW-UHFFFAOYSA-N 0 0 392.458 5.941 50 0 GKAARN Cc1ccc(NC(=O)N[C@@H](C)CC(C)C)cc1NC(=O)N[C@@H](C)CC(C)C ZINC000000640952 206310838 /nfs/dbraw/zinc/31/08/38/206310838.db2.gz PUUVKKSHOHVANY-IRXDYDNUSA-N 0 0 376.545 5.107 50 0 GKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(Cl)cc1 ZINC000000637875 206310937 /nfs/dbraw/zinc/31/09/37/206310937.db2.gz ZDKLRTKLFCGHCM-UHFFFAOYSA-N 0 0 397.714 5.946 50 0 GKAARN COc1ccccc1NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(C)C ZINC000000637607 206310987 /nfs/dbraw/zinc/31/09/87/206310987.db2.gz IRRSTKIHKRJAEO-ALMXEBCXSA-N 0 0 397.518 5.813 50 0 GKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000000641031 206311198 /nfs/dbraw/zinc/31/11/98/206311198.db2.gz XVPSOPILPFZFLQ-UHFFFAOYSA-N 0 0 385.250 5.868 50 0 GKAARN COc1cccc([C@H](C)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000000649046 206311757 /nfs/dbraw/zinc/31/17/57/206311757.db2.gz SORJMUBSFDTIEW-JTQLQIEISA-N 0 0 380.296 5.708 50 0 GKAARN O=C(CNc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2oc1=O ZINC000000644841 206311860 /nfs/dbraw/zinc/31/18/60/206311860.db2.gz KDEQDAYPJGZCFE-UHFFFAOYSA-N 0 0 382.630 5.048 50 0 GKAARN COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)COc1cc(C)ccc1C(C)C ZINC000000643383 206311890 /nfs/dbraw/zinc/31/18/90/206311890.db2.gz LTYFNNANSKSSCS-SFHVURJKSA-N 0 0 395.543 5.825 50 0 GKAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1c1ccccc1 ZINC000000644697 206312115 /nfs/dbraw/zinc/31/21/15/206312115.db2.gz DYIWJKBCAJRPSB-DEOSSOPVSA-N 0 0 397.503 5.318 50 0 GKAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)cc1 ZINC000000648778 206312160 /nfs/dbraw/zinc/31/21/60/206312160.db2.gz OCMIGLIPBGMONX-GOSISDBHSA-N 0 0 396.490 5.710 50 0 GKAARN Cc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1 ZINC000000648655 206312416 /nfs/dbraw/zinc/31/24/16/206312416.db2.gz JWZSAZFKAQSKJD-UHFFFAOYSA-N 0 0 396.494 5.176 50 0 GKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(F)ccc4C)c(N)c3cc2C1 ZINC000000661916 206312779 /nfs/dbraw/zinc/31/27/79/206312779.db2.gz NZXKEQWASTUSHE-GFCCVEGCSA-N 0 0 383.492 5.093 50 0 GKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1cccc(Cl)c1 ZINC000000660309 206312840 /nfs/dbraw/zinc/31/28/40/206312840.db2.gz ZETRZUNCZZNDSE-UHFFFAOYSA-N 0 0 385.901 5.513 50 0 GKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccc(F)c(F)c1 ZINC000000661646 206313211 /nfs/dbraw/zinc/31/32/11/206313211.db2.gz UEDLBPSRTDABFO-UHFFFAOYSA-N 0 0 399.397 5.215 50 0 GKAARN CCSc1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)s1 ZINC000000668631 206313883 /nfs/dbraw/zinc/31/38/83/206313883.db2.gz DJEBZDAHWUNMNF-UHFFFAOYSA-N 0 0 398.538 5.179 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000663286 206314073 /nfs/dbraw/zinc/31/40/73/206314073.db2.gz LWYLBSRZHLSHNJ-GZTJUZNOSA-N 0 0 384.218 5.598 50 0 GKAARN Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)[C@@H](C)c2nc3ccccc3[nH]2)cc1 ZINC000000662787 206314329 /nfs/dbraw/zinc/31/43/29/206314329.db2.gz WQKUPEGKMDLING-IEBWSBKVSA-N 0 0 380.495 5.878 50 0 GKAARN CCOc1ccc(-n2c(C)nnc2SCc2cccc3ccccc32)cc1 ZINC000000664236 206314493 /nfs/dbraw/zinc/31/44/93/206314493.db2.gz YJLJHHMOTMHJEO-UHFFFAOYSA-N 0 0 375.497 5.420 50 0 GKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1sc2ccccc2c1Cl ZINC000000670948 206314570 /nfs/dbraw/zinc/31/45/70/206314570.db2.gz STRKWAUNBWFNGP-UHFFFAOYSA-N 0 0 391.879 6.038 50 0 GKAARN O=C(c1ccccc1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000663345 206314697 /nfs/dbraw/zinc/31/46/97/206314697.db2.gz QAOJJHOSMMIGFC-RUZDIDTESA-N 0 0 398.550 6.222 50 0 biogenic GKAARN CCC(=O)Nc1ccc(C(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000000670624 206314856 /nfs/dbraw/zinc/31/48/56/206314856.db2.gz FIQCKIMXONYPBG-UHFFFAOYSA-N 0 0 395.462 5.254 50 0 GKAARN CC(=O)N1C[C@@H](c2cnc(-c3ccccc3)c(C)c2)C=C(C)[C@H]1c1ccccc1 ZINC000000678471 206315101 /nfs/dbraw/zinc/31/51/01/206315101.db2.gz OWKLUUUEZDCPRP-AHWVRZQESA-N 0 0 382.507 5.690 50 0 GKAARN COc1ccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1 ZINC000000672755 206315431 /nfs/dbraw/zinc/31/54/31/206315431.db2.gz ANSJCTDTTNCOPN-UHFFFAOYSA-N 0 0 383.447 5.680 50 0 GKAARN Cc1cc(NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)no1 ZINC000000674674 206315507 /nfs/dbraw/zinc/31/55/07/206315507.db2.gz YREIXJRGIAVPQQ-UHFFFAOYSA-N 0 0 385.467 5.748 50 0 GKAARN Nc1nc(SCc2ccc(Cl)c(Cl)c2)nc2sc3c(c21)CCC3 ZINC000000680214 206316325 /nfs/dbraw/zinc/31/63/25/206316325.db2.gz YLQYDEJEPKDFEC-UHFFFAOYSA-N 0 0 382.341 5.361 50 0 GKAARN COc1ccc(CCCC(=O)Nc2cc(C)c(C)cc2Br)c(C)c1 ZINC000000685629 206316645 /nfs/dbraw/zinc/31/66/45/206316645.db2.gz WJYIQTPLVAFXDF-UHFFFAOYSA-N 0 0 390.321 5.344 50 0 GKAARN Clc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3cccs3)[C@@H]1CO2 ZINC000000688062 206316861 /nfs/dbraw/zinc/31/68/61/206316861.db2.gz FZTQSRLMUIWSRN-JLTOFOAXSA-N 0 0 383.925 6.378 50 0 GKAARN CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nnc(-c3cccs3)s2)cc1 ZINC000000680089 206316870 /nfs/dbraw/zinc/31/68/70/206316870.db2.gz ZDLNJJRVRWXJSD-CABCVRRESA-N 0 0 383.542 5.306 50 0 GKAARN CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1OC ZINC000000707129 206318224 /nfs/dbraw/zinc/31/82/24/206318224.db2.gz PDMYFFWFBFXATM-GINFMSJVSA-N 0 0 397.518 5.957 50 0 GKAARN Cc1cccc2nc(CSc3nc4ccccc4s3)c(Br)n21 ZINC000000703625 206318239 /nfs/dbraw/zinc/31/82/39/206318239.db2.gz BCGRCGDWUQORMJ-UHFFFAOYSA-N 0 0 390.331 5.307 50 0 GKAARN Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1 ZINC000000721429 206319169 /nfs/dbraw/zinc/31/91/69/206319169.db2.gz QCPYMEACPSNFNB-UHFFFAOYSA-N 0 0 383.842 5.198 50 0 GKAARN c1nn(-c2ccccc2)c2c1-c1c(c3ccccc3n1Cc1ccccc1)CC2 ZINC000000755078 206320208 /nfs/dbraw/zinc/32/02/08/206320208.db2.gz IXFPSKBHUNZRML-UHFFFAOYSA-N 0 0 375.475 5.641 50 0 GKAARN CCOC(=O)c1c2cc(O)ccc2oc1-c1cc(Cl)c(OC)c(Cl)c1 ZINC000000778187 206320255 /nfs/dbraw/zinc/32/02/55/206320255.db2.gz LWPYXEOKDVGXAR-UHFFFAOYSA-N 0 0 381.211 5.298 50 0 biogenic GKAARN O=C(Nc1ccc(Cl)cc1)Nc1cc(Br)cc2cccnc21 ZINC000000787449 206321249 /nfs/dbraw/zinc/32/12/49/206321249.db2.gz AFTOCULHBQIOLT-UHFFFAOYSA-N 0 0 376.641 5.295 50 0 GKAARN CC(=O)N(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccccc1 ZINC000000797632 206321544 /nfs/dbraw/zinc/32/15/44/206321544.db2.gz UVMSLDKUWXADKG-VWLOTQADSA-N 0 0 379.544 5.243 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1 ZINC000000799319 206321664 /nfs/dbraw/zinc/32/16/64/206321664.db2.gz BFFRQLHSYRDOLJ-UHFFFAOYSA-N 0 0 393.295 5.443 50 0 GKAARN O=C(NC(c1ccccc1)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000000805658 206322747 /nfs/dbraw/zinc/32/27/47/206322747.db2.gz KCVQNEQVUWDLTN-UHFFFAOYSA-N 0 0 391.470 5.830 50 0 GKAARN Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(-n2nc3ccccc3n2)c1 ZINC000000820604 206323853 /nfs/dbraw/zinc/32/38/53/206323853.db2.gz BHQYVUZKUYPKCY-UHFFFAOYSA-N 0 0 398.249 5.255 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)C4CCCCC4)c3n2)cc1 ZINC000000815352 206324579 /nfs/dbraw/zinc/32/45/79/206324579.db2.gz FJCFBIUKSOIAQD-UHFFFAOYSA-N 0 0 398.457 5.047 50 0 GKAARN COc1ccccc1-c1nn(CN(c2ccccc2)c2ccccc2)c(=S)o1 ZINC000000825404 206324986 /nfs/dbraw/zinc/32/49/86/206324986.db2.gz KVSKZBYTTWFFSF-UHFFFAOYSA-N 0 0 389.480 5.677 50 0 GKAARN Cc1cc2c(cc1C)N(C(=O)C(F)(F)F)C(C)(C)c1ssc(=S)c1-2 ZINC000000832681 206325821 /nfs/dbraw/zinc/32/58/21/206325821.db2.gz PSXSNDCBHDQKKY-UHFFFAOYSA-N 0 0 389.489 5.967 50 0 GKAARN COc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000000828039 206325876 /nfs/dbraw/zinc/32/58/76/206325876.db2.gz QTZNEYBVTZQBIX-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN Cc1ccccc1N[C@@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000000833046 206326650 /nfs/dbraw/zinc/32/66/50/206326650.db2.gz FTGFNQSSXWXHFU-HNNXBMFYSA-N 0 0 392.113 5.187 50 0 GKAARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2o1 ZINC000000841546 206326853 /nfs/dbraw/zinc/32/68/53/206326853.db2.gz KFIMOBLSENKRBT-UHFFFAOYSA-N 0 0 388.810 6.147 50 0 GKAARN Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 ZINC000000837677 206326950 /nfs/dbraw/zinc/32/69/50/206326950.db2.gz XTBABNAIGQXLJL-UHFFFAOYSA-N 0 0 396.434 5.079 50 0 GKAARN CC(C)(C)SC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000847226 206327334 /nfs/dbraw/zinc/32/73/34/206327334.db2.gz SXPOSXCSSGRCAQ-AWEZNQCLSA-N 0 0 382.356 5.994 50 0 GKAARN COc1ccc(Cc2cnc(NC(=O)/C=C/c3cccc(Cl)c3)s2)cc1 ZINC000000848304 206327475 /nfs/dbraw/zinc/32/74/75/206327475.db2.gz ANNXESUODHDCSA-JXMROGBWSA-N 0 0 384.888 5.048 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000000846149 206327518 /nfs/dbraw/zinc/32/75/18/206327518.db2.gz DDQAEJNSDQDOQI-UHFFFAOYSA-N 0 0 392.528 5.229 50 0 GKAARN CC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000000856824 206328248 /nfs/dbraw/zinc/32/82/48/206328248.db2.gz KLYJIWGORYQXPF-RPWUZVMVSA-N 0 0 379.544 5.414 50 0 GKAARN Clc1ccccc1CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000000859825 206328752 /nfs/dbraw/zinc/32/87/52/206328752.db2.gz MLWRTBBJGGMQTJ-UHFFFAOYSA-N 0 0 381.682 5.445 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000000857664 206329181 /nfs/dbraw/zinc/32/91/81/206329181.db2.gz ZCIVILXERWFWQF-UHFFFAOYSA-N 0 0 397.887 5.310 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4F)c3)oc2c1 ZINC000000868810 206329558 /nfs/dbraw/zinc/32/95/58/206329558.db2.gz VWUKEGHNGMTEGV-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000000904189 206331938 /nfs/dbraw/zinc/33/19/38/206331938.db2.gz UVIYRPFEERPPHE-UHFFFAOYSA-N 0 0 391.521 5.398 50 0 GKAARN Cc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccccc2)cc1C ZINC000000877681 206330306 /nfs/dbraw/zinc/33/03/06/206330306.db2.gz YSDQBGFFBHAFHG-UHFFFAOYSA-N 0 0 385.492 5.741 50 0 GKAARN COc1cc(F)ccc1N[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000158220723 206304705 /nfs/dbraw/zinc/30/47/05/206304705.db2.gz KPMKIVDKNORBEL-SECBINFHSA-N 0 0 382.222 5.364 50 0 GKAARN Cc1nc(-c2ccccc2)oc1C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000153882522 206305008 /nfs/dbraw/zinc/30/50/08/206305008.db2.gz PGBBQKUFVRBKSO-UHFFFAOYSA-N 0 0 386.455 5.013 50 0 GKAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009530997 206332112 /nfs/dbraw/zinc/33/21/12/206332112.db2.gz QZPSJYQXAVAWTB-HNNXBMFYSA-N 0 0 382.485 5.627 50 0 GKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000911483 206333499 /nfs/dbraw/zinc/33/34/99/206333499.db2.gz PBRAUNCHMJDELC-UHFFFAOYSA-N 0 0 395.418 5.304 50 0 GKAARN C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1 ZINC000000944100 206335142 /nfs/dbraw/zinc/33/51/42/206335142.db2.gz CRSCZSGFZRTBOU-OAHLLOKOSA-N 0 0 391.492 5.512 50 0 GKAARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)c1 ZINC000000937366 206335450 /nfs/dbraw/zinc/33/54/50/206335450.db2.gz DFDWYCHDELTEDG-UHFFFAOYSA-N 0 0 377.296 5.986 50 0 GKAARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl ZINC000000944901 206335679 /nfs/dbraw/zinc/33/56/79/206335679.db2.gz BSJVKHGMERPRNV-UHFFFAOYSA-N 0 0 396.712 5.418 50 0 GKAARN COc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)cc1Cl ZINC000000942809 206336042 /nfs/dbraw/zinc/33/60/42/206336042.db2.gz LKABUHITQPMOPA-UHFFFAOYSA-N 0 0 397.858 5.042 50 0 GKAARN Cc1sc2ncnc(Sc3ccc4c(c3)OCCO4)c2c1-c1ccccc1 ZINC000000952973 206336520 /nfs/dbraw/zinc/33/65/20/206336520.db2.gz IVAANPXOPWHMBT-UHFFFAOYSA-N 0 0 392.505 5.589 50 0 GKAARN COc1cc(/C=C/C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1 ZINC000000951252 206336584 /nfs/dbraw/zinc/33/65/84/206336584.db2.gz FZXRKEBCSLOOMP-FYWRMAATSA-N 0 0 387.479 5.543 50 0 GKAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(O)cc1 ZINC000000952247 206337003 /nfs/dbraw/zinc/33/70/03/206337003.db2.gz LVOCGXPJRIVFLN-UHFFFAOYSA-N 0 0 377.227 5.168 50 0 GKAARN COc1ccc(C)cc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000000951428 206337077 /nfs/dbraw/zinc/33/70/77/206337077.db2.gz RXAZCRCNSCKNAY-UHFFFAOYSA-N 0 0 389.495 5.347 50 0 GKAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000000948634 206337334 /nfs/dbraw/zinc/33/73/34/206337334.db2.gz XSRAPTFJPJCEAK-UHFFFAOYSA-N 0 0 390.361 5.183 50 0 GKAARN O=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000000973363 206338487 /nfs/dbraw/zinc/33/84/87/206338487.db2.gz ALXLXGYISPSVPA-CQSZACIVSA-N 0 0 395.138 5.558 50 0 GKAARN CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000974548 206338618 /nfs/dbraw/zinc/33/86/18/206338618.db2.gz RAIQQXQXVNVVGD-UHFFFAOYSA-N 0 0 399.446 5.126 50 0 biogenic GKAARN CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OC ZINC000000982722 206338756 /nfs/dbraw/zinc/33/87/56/206338756.db2.gz HEGALCUGYASKOF-UHFFFAOYSA-N 0 0 384.701 5.430 50 0 GKAARN Cc1nc(Oc2ccc(F)cc2)c(C(=O)NCCc2ccccc2)c(C)c1Cl ZINC000000973916 206338787 /nfs/dbraw/zinc/33/87/87/206338787.db2.gz AFTCPQFODMURTJ-UHFFFAOYSA-N 0 0 398.865 5.256 50 0 GKAARN CC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)cc1 ZINC000000991244 206339649 /nfs/dbraw/zinc/33/96/49/206339649.db2.gz VUNZEOSGNMSADG-UHFFFAOYSA-N 0 0 395.458 5.940 50 0 GKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(Br)ccc1Cl ZINC000000995097 206339695 /nfs/dbraw/zinc/33/96/95/206339695.db2.gz ACDIRSOTHWYNQC-UHFFFAOYSA-N 0 0 379.468 5.662 50 0 GKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 ZINC000000989958 206339775 /nfs/dbraw/zinc/33/97/75/206339775.db2.gz YWTBYHTZXSTFTO-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN C[C@H](Oc1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccc(Cl)cc1 ZINC000000993042 206339864 /nfs/dbraw/zinc/33/98/64/206339864.db2.gz BEXHRTBCXMLOMW-HNNXBMFYSA-N 0 0 379.843 5.243 50 0 GKAARN C[C@H](NC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1 ZINC000000987703 206339913 /nfs/dbraw/zinc/33/99/13/206339913.db2.gz BVUPPEKHPNFPLW-JXFKEZNVSA-N 0 0 379.887 5.445 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)s1 ZINC000000997031 206340887 /nfs/dbraw/zinc/34/08/87/206340887.db2.gz GSMXQZGFRVWLOG-UHFFFAOYSA-N 0 0 380.419 5.802 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)s1 ZINC000000997265 206340974 /nfs/dbraw/zinc/34/09/74/206340974.db2.gz WNEUPCUIXYTHKX-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN COc1ccc2ccccc2c1CS(=O)Cc1c(OC)ccc2ccccc21 ZINC000001000299 206341259 /nfs/dbraw/zinc/34/12/59/206341259.db2.gz SLNJDYZGCOYNNF-UHFFFAOYSA-N 0 0 390.504 5.459 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000001002554 206341460 /nfs/dbraw/zinc/34/14/60/206341460.db2.gz NQKFERYDSGELAX-VXKWHMMOSA-N 0 0 391.490 5.110 50 0 GKAARN Cc1ccc(NC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000001016837 206342046 /nfs/dbraw/zinc/34/20/46/206342046.db2.gz PIHYTSBQXKFXBD-QFIPXVFZSA-N 0 0 391.421 5.656 50 0 GKAARN O=C(N1CCC(C(c2ccccc2)c2ccccc2)CC1)C(Cl)(Cl)Cl ZINC000001024981 206342441 /nfs/dbraw/zinc/34/24/41/206342441.db2.gz VGQXKYRWNNYCTH-UHFFFAOYSA-N 0 0 396.745 5.427 50 0 GKAARN COc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc54)ccc32)cc1 ZINC000001026843 206342467 /nfs/dbraw/zinc/34/24/67/206342467.db2.gz FULOWBRTKRPEJM-UHFFFAOYSA-N 0 0 381.439 5.029 50 0 GKAARN Cc1nc(C(F)(F)F)ccc1-c1nnc(SCc2cc(F)cc(F)c2)o1 ZINC000001023511 206342649 /nfs/dbraw/zinc/34/26/49/206342649.db2.gz BGGQNDGUTIPWRL-UHFFFAOYSA-N 0 0 387.333 5.029 50 0 GKAARN Cc1cc(C)cc(OC(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)o2)c1 ZINC000001034129 206343157 /nfs/dbraw/zinc/34/31/57/206343157.db2.gz JGVLAGLXTKPWGC-UHFFFAOYSA-N 0 0 377.223 6.215 50 0 GKAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc2c1 ZINC000001032529 206343232 /nfs/dbraw/zinc/34/32/32/206343232.db2.gz LSGWCDXVYAOQAP-UHFFFAOYSA-N 0 0 380.494 5.073 50 0 GKAARN COc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)sc2C(C)=O)cc1OC ZINC000001027853 206343682 /nfs/dbraw/zinc/34/36/82/206343682.db2.gz RMHFNVVBAKZTTJ-UHFFFAOYSA-N 0 0 399.443 5.026 50 0 GKAARN COc1ccc([C@@H](CC(=O)c2ccccc2)SC(=O)c2ccccc2)cc1 ZINC000001041684 206344495 /nfs/dbraw/zinc/34/44/95/206344495.db2.gz IMJAVTKTNWUPOJ-JOCHJYFZSA-N 0 0 376.477 5.583 50 0 GKAARN O=C(CSc1cccs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001037679 206344574 /nfs/dbraw/zinc/34/45/74/206344574.db2.gz QBRMPBDGLXAFJG-UHFFFAOYSA-N 0 0 385.354 5.517 50 0 GKAARN Cc1cc(Oc2nc3c(cc(Cl)cc3Cl)s2)c2cc(F)cc(F)c2n1 ZINC000001042641 206344812 /nfs/dbraw/zinc/34/48/12/206344812.db2.gz IONVCWUSSDSOCP-UHFFFAOYSA-N 0 0 397.233 6.530 50 0 GKAARN O=C(NCc1sccc1COc1ccc(Cl)cc1)Nc1ccccc1F ZINC000001039562 206344887 /nfs/dbraw/zinc/34/48/87/206344887.db2.gz GYIFXBGMBRJZQE-UHFFFAOYSA-N 0 0 390.867 5.441 50 0 GKAARN CCC[C@H](C)c1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 ZINC000001049198 206345865 /nfs/dbraw/zinc/34/58/65/206345865.db2.gz RKKRZXHGBQENAJ-INIZCTEOSA-N 0 0 379.529 5.602 50 0 GKAARN FC(F)(F)c1oc(-c2ccccc2Cl)cc1-c1nc(-c2cccs2)no1 ZINC000001047076 206346034 /nfs/dbraw/zinc/34/60/34/206346034.db2.gz ANKSKLSIHYYQSK-UHFFFAOYSA-N 0 0 396.777 6.397 50 0 GKAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000001061142 206347541 /nfs/dbraw/zinc/34/75/41/206347541.db2.gz BKCCTLQHQBPMMF-UHFFFAOYSA-N 0 0 398.721 5.309 50 0 GKAARN FC(F)(F)c1cccc(NCn2nc(-c3ccccc3Cl)oc2=S)c1 ZINC000001058089 206347683 /nfs/dbraw/zinc/34/76/83/206347683.db2.gz AIIGTIGOKSHEEB-UHFFFAOYSA-N 0 0 385.798 5.614 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)c1cccnc1Oc1ccc(Cl)cc1 ZINC000001063442 206348097 /nfs/dbraw/zinc/34/80/97/206348097.db2.gz WHVJWDQOFXVMRC-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/36/17/41/206361741.db2.gz JNIZSTWYCDEVAZ-UHFFFAOYSA-N 0 0 391.471 5.374 50 0 GKAARN Cc1ccc(-c2noc(COc3ccc(Br)cc3Cl)n2)cc1 ZINC000001168962 206363259 /nfs/dbraw/zinc/36/32/59/206363259.db2.gz DOCXXSNKHADPHS-UHFFFAOYSA-N 0 0 379.641 5.040 50 0 GKAARN Cc1ccc2oc(-c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)nc2c1 ZINC000001178581 206363568 /nfs/dbraw/zinc/36/35/68/206363568.db2.gz DJDFSCROVMXOCV-UHFFFAOYSA-N 0 0 382.419 5.221 50 0 GKAARN Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)cc1C ZINC000001179689 206363841 /nfs/dbraw/zinc/36/38/41/206363841.db2.gz HMTZBYKCSBMCIE-WMTXZCIVSA-N 0 0 393.486 5.090 50 0 GKAARN COc1ccc(COc2ccc3c(c2)oc(=O)cc3-c2ccc(OC)cc2)cc1 ZINC000001183839 206363922 /nfs/dbraw/zinc/36/39/22/206363922.db2.gz XTCROICSHAWLDS-UHFFFAOYSA-N 0 0 388.419 5.056 50 0 biogenic GKAARN Cc1ccc(COc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1 ZINC000001181323 206363965 /nfs/dbraw/zinc/36/39/65/206363965.db2.gz HAAYFEJFWDJBJB-CXUHLZMHSA-N 0 0 375.902 5.557 50 0 GKAARN CCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000001179578 206364173 /nfs/dbraw/zinc/36/41/73/206364173.db2.gz GDLCKVBHCTWAOO-UHFFFAOYSA-N 0 0 389.933 5.230 50 0 GKAARN O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001183942 206364308 /nfs/dbraw/zinc/36/43/08/206364308.db2.gz PVYQODCQLOJHKG-UHFFFAOYSA-N 0 0 382.872 5.259 50 0 GKAARN CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000001179661 206364506 /nfs/dbraw/zinc/36/45/06/206364506.db2.gz VVNDAVXXAOOVSV-DHDCSXOGSA-N 0 0 382.268 5.700 50 0 GKAARN CCOc1cccc2c1NC(C)(C)c1sn(-c3ccccc3OC)c(=S)c1-2 ZINC000001188539 206364909 /nfs/dbraw/zinc/36/49/09/206364909.db2.gz SKNIPENYTFXBBJ-UHFFFAOYSA-N 0 0 398.553 6.003 50 0 GKAARN O=C(CSc1nc2ccccc2o1)Nc1ccccc1Oc1ccccc1 ZINC000001197166 206366619 /nfs/dbraw/zinc/36/66/19/206366619.db2.gz HEPCBFWXYPIEDC-UHFFFAOYSA-N 0 0 376.437 5.351 50 0 GKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(Cl)c1Cl ZINC000001204468 206366678 /nfs/dbraw/zinc/36/66/78/206366678.db2.gz NXPJDABGGVVHGJ-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4C)c3)nc2c1 ZINC000001204115 206366685 /nfs/dbraw/zinc/36/66/85/206366685.db2.gz ZSXVWTINQNZMOF-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000001205655 206367119 /nfs/dbraw/zinc/36/71/19/206367119.db2.gz VQTHBVYGQAFPFR-OVCLIPMQSA-N 0 0 376.843 5.244 50 0 GKAARN CCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000001210324 206367563 /nfs/dbraw/zinc/36/75/63/206367563.db2.gz LIOJDQJUXPHCPG-UHFFFAOYSA-N 0 0 392.842 5.799 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)oc2cc1C ZINC000001207736 206367683 /nfs/dbraw/zinc/36/76/83/206367683.db2.gz HTDUELPPIDQDNR-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000001212454 206367687 /nfs/dbraw/zinc/36/76/87/206367687.db2.gz YBPVNVGXUVGTFW-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000001212945 206367807 /nfs/dbraw/zinc/36/78/07/206367807.db2.gz UMHJGSICLVVGGX-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001208682 206367830 /nfs/dbraw/zinc/36/78/30/206367830.db2.gz QDERWBMVBNYATN-UHFFFAOYSA-N 0 0 396.277 5.644 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)cc1F ZINC000001215975 206367935 /nfs/dbraw/zinc/36/79/35/206367935.db2.gz VADXYGMQSTXDEI-UHFFFAOYSA-N 0 0 383.181 5.487 50 0 GKAARN O=C(Cc1ccc(Br)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001217413 206368092 /nfs/dbraw/zinc/36/80/92/206368092.db2.gz QIAJXCLRGCTBRB-UHFFFAOYSA-N 0 0 393.495 5.591 50 0 GKAARN O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(O)cc1 ZINC000001215440 206368300 /nfs/dbraw/zinc/36/83/00/206368300.db2.gz XATGROGLIDMPIH-RIYZIHGNSA-N 0 0 382.293 5.105 50 0 GKAARN CCOc1ccc2nc(SCC(=O)Nc3cccc(SC)c3)sc2c1 ZINC000001230585 206369370 /nfs/dbraw/zinc/36/93/70/206369370.db2.gz SCBCIJJGPHFLJH-UHFFFAOYSA-N 0 0 390.555 5.148 50 0 GKAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000001217954 206369528 /nfs/dbraw/zinc/36/95/28/206369528.db2.gz AJLOOANZKITJNL-UHFFFAOYSA-N 0 0 382.423 5.036 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c(C)c1 ZINC000001267298 206370129 /nfs/dbraw/zinc/37/01/29/206370129.db2.gz CDCRJAYTKHCJNW-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CC(C)(C)c1cc(C(=O)CSc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O ZINC000001237091 206370935 /nfs/dbraw/zinc/37/09/35/206370935.db2.gz AWAARFMNDABSQC-UHFFFAOYSA-N 0 0 396.556 5.839 50 0 GKAARN Cc1ccc(-c2nnc(Oc3ccc(Cl)cc3Cl)c3ccccc32)cc1C ZINC000001746562 206390889 /nfs/dbraw/zinc/39/08/89/206390889.db2.gz MKFLCFSEJKYCGB-UHFFFAOYSA-N 0 0 395.289 7.013 50 0 GKAARN COC(=O)c1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000001777262 206391016 /nfs/dbraw/zinc/39/10/16/206391016.db2.gz JPELTZKJRFYNAB-UHFFFAOYSA-N 0 0 395.871 5.542 50 0 GKAARN CCOc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OCC ZINC000001780269 206391298 /nfs/dbraw/zinc/39/12/98/206391298.db2.gz XLSTXOWCYSPNHQ-FYWRMAATSA-N 0 0 395.543 6.383 50 0 GKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C)c(Cl)c1 ZINC000001772964 206391409 /nfs/dbraw/zinc/39/14/09/206391409.db2.gz DXIYQGHPUVMUJV-UHFFFAOYSA-N 0 0 389.282 6.079 50 0 GKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(Cl)c1C ZINC000001770412 206391664 /nfs/dbraw/zinc/39/16/64/206391664.db2.gz HDVAEUZWGOERCQ-UHFFFAOYSA-N 0 0 389.282 6.079 50 0 GKAARN COc1cccc(/N=c2\ssc3c2-c2cc(C)cc(C)c2NC3(C)C)c1 ZINC000001776098 206391774 /nfs/dbraw/zinc/39/17/74/206391774.db2.gz JYTBMTCBJIHRMV-XDOYNYLZSA-N 0 0 382.554 5.995 50 0 GKAARN Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(C)c1 ZINC000001768770 206391869 /nfs/dbraw/zinc/39/18/69/206391869.db2.gz HSPKCPSQTKJKLZ-UHFFFAOYSA-N 0 0 387.523 5.955 50 0 GKAARN COC(=O)c1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000002473115 206418478 /nfs/dbraw/zinc/41/84/78/206418478.db2.gz XOQLGPYABGAZCJ-UHFFFAOYSA-N 0 0 381.435 5.341 50 0 GKAARN c1ccc(COc2ccc(Oc3ncnc4sc5c(c43)CCCC5)cc2)cc1 ZINC000001895524 206392530 /nfs/dbraw/zinc/39/25/30/206392530.db2.gz MDMMFZYOACZGEF-UHFFFAOYSA-N 0 0 388.492 5.941 50 0 GKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 ZINC000001850377 206393710 /nfs/dbraw/zinc/39/37/10/206393710.db2.gz RLLPVAHGXHCWKJ-IEBWSBKVSA-N 0 0 391.294 6.113 50 0 fda GKAARN CCCCN(CC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000001902199 206395014 /nfs/dbraw/zinc/39/50/14/206395014.db2.gz CIPWTRBMRIMFBT-UHFFFAOYSA-N 0 0 382.577 5.868 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000001986257 206395509 /nfs/dbraw/zinc/39/55/09/206395509.db2.gz ASYDCPFNCWEWNH-UHFFFAOYSA-N 0 0 385.872 5.498 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000002023444 206396152 /nfs/dbraw/zinc/39/61/52/206396152.db2.gz OLEXFAWXZUFRKP-UHFFFAOYSA-N 0 0 380.513 5.858 50 0 GKAARN Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(F)cc1 ZINC000002060883 206396816 /nfs/dbraw/zinc/39/68/16/206396816.db2.gz PAWWLNRKQJTTAP-AREMUKBSSA-N 0 0 387.498 6.269 50 0 GKAARN Cc1c(NC(=O)c2cccc3ccccc32)cccc1-c1nc2ccccc2s1 ZINC000002056955 206396848 /nfs/dbraw/zinc/39/68/48/206396848.db2.gz DCRJYTFCDWNZPF-UHFFFAOYSA-N 0 0 394.499 6.677 50 0 GKAARN CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000002059638 206397055 /nfs/dbraw/zinc/39/70/55/206397055.db2.gz DAVMPNDGZVXWPX-NIYFSFCBSA-N 0 0 398.550 7.095 50 0 GKAARN CC(C)CSc1nnc(COc2cccc3ccccc32)n1-c1ccccc1 ZINC000002074133 206397103 /nfs/dbraw/zinc/39/71/03/206397103.db2.gz XQSDGJUBLGEQHX-UHFFFAOYSA-N 0 0 389.524 5.748 50 0 GKAARN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(F)cc3)c3ccc(C)cc32)cc1 ZINC000002059434 206397193 /nfs/dbraw/zinc/39/71/93/206397193.db2.gz VYUJSNPJDQYXJO-MBSDFSHPSA-N 0 0 388.486 6.035 50 0 GKAARN O=C(Oc1cccc(OC(=O)c2cccc(Cl)c2)c1)c1cccc(Cl)c1 ZINC000002057751 206397248 /nfs/dbraw/zinc/39/72/48/206397248.db2.gz APRCNVZSGSOJCU-UHFFFAOYSA-N 0 0 387.218 5.432 50 0 GKAARN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)OC1CCCCC1 ZINC000002074148 206397269 /nfs/dbraw/zinc/39/72/69/206397269.db2.gz MDXYRQGAXDXQMM-UHFFFAOYSA-N 0 0 399.560 5.283 50 0 GKAARN CCc1ccc(C)c(OC(=O)c2cc(Br)ccc2Br)c1 ZINC000002069882 206397383 /nfs/dbraw/zinc/39/73/83/206397383.db2.gz LKGDXUALDNIPDT-UHFFFAOYSA-N 0 0 398.094 5.302 50 0 GKAARN CCOC(=O)c1sc(Nc2cc(Cl)ccc2Cl)nc1-c1ccccc1 ZINC000002068500 206397389 /nfs/dbraw/zinc/39/73/89/206397389.db2.gz OBRIDSAYKCMTSI-UHFFFAOYSA-N 0 0 393.295 6.037 50 0 GKAARN CCc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000002068484 206397437 /nfs/dbraw/zinc/39/74/37/206397437.db2.gz USPIDIPAOGAOJW-JOCHJYFZSA-N 0 0 398.333 6.982 50 0 GKAARN Cc1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C)cc2C)c(C)c1 ZINC000002054375 206397503 /nfs/dbraw/zinc/39/75/03/206397503.db2.gz UAICBZGFGWGWFM-UHFFFAOYSA-N 0 0 384.545 5.011 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000002073535 206397605 /nfs/dbraw/zinc/39/76/05/206397605.db2.gz PTDXTAKGZLBVRD-OAQYLSRUSA-N 0 0 376.431 5.210 50 0 GKAARN Fc1cccc(-c2nnc(SCc3ccccc3F)n2-c2ccccc2)c1 ZINC000002059040 206397608 /nfs/dbraw/zinc/39/76/08/206397608.db2.gz PXIZEDCVZDEMIV-UHFFFAOYSA-N 0 0 379.435 5.505 50 0 GKAARN COc1ccc(OCc2nc3ccccc3n2CCCOc2ccccc2)cc1 ZINC000002488136 206418646 /nfs/dbraw/zinc/41/86/46/206418646.db2.gz WTZIOUORXHDKDQ-UHFFFAOYSA-N 0 0 388.467 5.093 50 0 GKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002092921 206397890 /nfs/dbraw/zinc/39/78/90/206397890.db2.gz CWXFGHUFLABKGI-CYBMUJFWSA-N 0 0 396.289 5.659 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002084152 206397904 /nfs/dbraw/zinc/39/79/04/206397904.db2.gz WKCMWFHXKMSQRC-IBGZPJMESA-N 0 0 387.426 6.178 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000002081548 206398042 /nfs/dbraw/zinc/39/80/42/206398042.db2.gz CNRXNCZWNOHQNP-IBGZPJMESA-N 0 0 394.518 6.976 50 0 GKAARN Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000002085986 206398219 /nfs/dbraw/zinc/39/82/19/206398219.db2.gz BWISMRQEBZACHQ-FQEVSTJZSA-N 0 0 382.385 5.785 50 0 GKAARN Cc1ccc2c(c1)NC(C)(C)c1sn(-c3ccc(C)c(Cl)c3)c(=S)c1-2 ZINC000002092140 206398411 /nfs/dbraw/zinc/39/84/11/206398411.db2.gz QPOFBEQOHYQMAX-UHFFFAOYSA-N 0 0 386.973 6.866 50 0 GKAARN O=C(Oc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002079397 206398633 /nfs/dbraw/zinc/39/86/33/206398633.db2.gz FWKIABJJCFOURU-UHFFFAOYSA-N 0 0 394.257 6.428 50 0 GKAARN CCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000002079452 206398897 /nfs/dbraw/zinc/39/88/97/206398897.db2.gz SNWIWMKGWXFBLQ-UHFFFAOYSA-N 0 0 383.875 5.911 50 0 GKAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000002136023 206399100 /nfs/dbraw/zinc/39/91/00/206399100.db2.gz IFSYRLNDRNBLSP-UHFFFAOYSA-N 0 0 398.506 5.668 50 0 GKAARN CCCCCCc1c(C)c2ccc(OCC(=O)c3ccccc3)cc2oc1=O ZINC000002134226 206399133 /nfs/dbraw/zinc/39/91/33/206399133.db2.gz ABFJSPPGLBDVFS-UHFFFAOYSA-N 0 0 378.468 5.486 50 0 biogenic GKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)c1 ZINC000002128702 206399145 /nfs/dbraw/zinc/39/91/45/206399145.db2.gz QSAPVRPIBQLRRB-UHFFFAOYSA-N 0 0 389.499 5.598 50 0 GKAARN Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)Nc3ccc(F)cc3)c2c1 ZINC000002111447 206399352 /nfs/dbraw/zinc/39/93/52/206399352.db2.gz DZRJVIBCOYTQCR-UHFFFAOYSA-N 0 0 398.481 6.725 50 0 GKAARN CCCCCCc1c(C)c2ccc(OCc3cccc(OC)c3)cc2oc1=O ZINC000002126556 206399597 /nfs/dbraw/zinc/39/95/97/206399597.db2.gz ZLYTZHAXDVWSIC-UHFFFAOYSA-N 0 0 380.484 5.812 50 0 biogenic GKAARN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(C)C2=O)cc1 ZINC000002176944 206399964 /nfs/dbraw/zinc/39/99/64/206399964.db2.gz HJCCBIOUASZVDY-BLFRMDKKSA-N 0 0 378.497 5.048 50 0 GKAARN CCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2)nc1-c1ccccc1 ZINC000002170651 206399977 /nfs/dbraw/zinc/39/99/77/206399977.db2.gz CVCVMDRYIHWXLV-UHFFFAOYSA-N 0 0 398.531 6.280 50 0 aggregator GKAARN CC1CCN(c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn32)CC1 ZINC000002215433 206401400 /nfs/dbraw/zinc/40/14/00/206401400.db2.gz GNRJBMGRATYTHO-UHFFFAOYSA-N 0 0 382.939 5.584 50 0 GKAARN Cc1cc(C)cc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)c1 ZINC000002218508 206403112 /nfs/dbraw/zinc/40/31/12/206403112.db2.gz BWTQMIGZWYNBRF-UHFFFAOYSA-N 0 0 384.870 5.906 50 0 GKAARN CCCCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OCC)c2)cc1OC ZINC000002236154 206403266 /nfs/dbraw/zinc/40/32/66/206403266.db2.gz CGISFGMRZXPCMS-UHFFFAOYSA-N 0 0 396.483 5.663 50 0 GKAARN CCOc1ccc(C2=C(Cl)C=C(c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000002254688 206404833 /nfs/dbraw/zinc/40/48/33/206404833.db2.gz MUEPSDOOPLDBQU-UHFFFAOYSA-N 0 0 388.894 6.825 50 0 biogenic GKAARN O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1c1ccccc1F ZINC000002270716 206405265 /nfs/dbraw/zinc/40/52/65/206405265.db2.gz WLMLOLYEVALIBM-IBGZPJMESA-N 0 0 397.247 5.359 50 0 GKAARN CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000002279544 206405308 /nfs/dbraw/zinc/40/53/08/206405308.db2.gz RGMYQYJNWWXCHF-QGZVFWFLSA-N 0 0 398.237 5.826 50 0 GKAARN CCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(C)=O)c2ccccc21 ZINC000002275452 206405930 /nfs/dbraw/zinc/40/59/30/206405930.db2.gz HFRAKQWXVBVJHP-YADARESESA-N 0 0 392.543 5.876 50 0 GKAARN CCCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCCC3 ZINC000002294132 206406844 /nfs/dbraw/zinc/40/68/44/206406844.db2.gz NLRNAIOBTQQFBN-UHFFFAOYSA-N 0 0 376.591 5.419 50 0 GKAARN CC(=O)O[C@H](N1c2cc(C)ccc2C(C)=CC1(C)C)C(Cl)(Cl)Cl ZINC000002282276 206407349 /nfs/dbraw/zinc/40/73/49/206407349.db2.gz GMEMSAVOMWEPAZ-HNNXBMFYSA-N 0 0 376.711 5.256 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000002314546 206407843 /nfs/dbraw/zinc/40/78/43/206407843.db2.gz OQZMZGWBWWGLHT-UHFFFAOYSA-N 0 0 394.902 5.398 50 0 GKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Cl ZINC000002317206 206409007 /nfs/dbraw/zinc/40/90/07/206409007.db2.gz CCSAALOGORZMSJ-IERDGZPVSA-N 0 0 376.887 5.932 50 0 GKAARN Cc1nn2c(ncc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)c1-c1ccccc1 ZINC000002364953 206412521 /nfs/dbraw/zinc/41/25/21/206412521.db2.gz GVJAPXUAFPNMJA-QGZVFWFLSA-N 0 0 387.870 5.271 50 0 GKAARN CCn1c2ccccc2c(=O)c(-c2cccs2)c1NC(=O)C1CCCCC1 ZINC000002432968 206417076 /nfs/dbraw/zinc/41/70/76/206417076.db2.gz 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206443840 /nfs/dbraw/zinc/44/38/40/206443840.db2.gz JOSGRZVUOZPCRF-UHFFFAOYSA-N 0 0 391.492 5.311 50 0 GKAARN Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccco3)cc2)cc1 ZINC000002875331 206444007 /nfs/dbraw/zinc/44/40/07/206444007.db2.gz BXHSICAYSSTRCE-UHFFFAOYSA-N 0 0 397.565 5.544 50 0 GKAARN CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 ZINC000002887526 206444584 /nfs/dbraw/zinc/44/45/84/206444584.db2.gz NDFKWPYFAAYITP-UHFFFAOYSA-N 0 0 399.947 5.561 50 0 GKAARN CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000002887557 206445455 /nfs/dbraw/zinc/44/54/55/206445455.db2.gz IFOLIHTWQKXSOF-UHFFFAOYSA-N 0 0 399.947 5.561 50 0 GKAARN Cc1ccc(-c2csc3ncnc(Nc4ccc5ccccc5c4)c23)cc1C ZINC000002889014 206445461 /nfs/dbraw/zinc/44/54/61/206445461.db2.gz VHCRWOAXLLGXJM-UHFFFAOYSA-N 0 0 381.504 6.872 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](/C(C)=C/c1ccco1)Nc1ccccc1-2 ZINC000002918601 206445779 /nfs/dbraw/zinc/44/57/79/206445779.db2.gz NTPDNBWUSVOCHQ-KQDNUWKFSA-N 0 0 394.500 5.258 50 0 GKAARN CCc1nc2sc(C(=O)c3ccc(C(C)C)cc3)c(N)c2c2c1CCCC2 ZINC000002520454 206419862 /nfs/dbraw/zinc/41/98/62/206419862.db2.gz JBUVRLDUSHJXDY-UHFFFAOYSA-N 0 0 378.541 5.674 50 0 GKAARN COc1ccc(Cl)cc1Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000002561877 206421953 /nfs/dbraw/zinc/42/19/53/206421953.db2.gz GUNRHHPBBKZVQN-UHFFFAOYSA-N 0 0 395.709 5.978 50 0 GKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000002620494 206422580 /nfs/dbraw/zinc/42/25/80/206422580.db2.gz UEQPELAMVLJGGE-NRFANRHFSA-N 0 0 395.455 5.069 50 0 GKAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc2ccccc2c1 ZINC000002633795 206424299 /nfs/dbraw/zinc/42/42/99/206424299.db2.gz ZYYLVFRUBYGFPR-UHFFFAOYSA-N 0 0 391.521 5.064 50 0 GKAARN Fc1ccc(-c2nnc(N3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000002679635 206428359 /nfs/dbraw/zinc/42/83/59/206428359.db2.gz WECROJWMIRCOIO-UHFFFAOYSA-N 0 0 397.497 5.895 50 0 GKAARN Cc1c(Cl)cnc(NC(=O)CSc2nc3ccccc3s2)c1Cl ZINC000003320723 206469713 /nfs/dbraw/zinc/46/97/13/206469713.db2.gz FLARUEDLDMMAIJ-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/45/10/20/206451020.db2.gz IXWOHKREEDJDKZ-IBGZPJMESA-N 0 0 392.528 5.451 50 0 GKAARN Cc1cc(Cl)c(OCCCCOc2ncnc3ccccc32)c(Cl)c1 ZINC000002981135 206451667 /nfs/dbraw/zinc/45/16/67/206451667.db2.gz GFWJZQOVROKHMQ-UHFFFAOYSA-N 0 0 377.271 5.483 50 0 GKAARN CC(C)Cc1c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc2c1CCCC2 ZINC000003001468 206452214 /nfs/dbraw/zinc/45/22/14/206452214.db2.gz GPWGNPCUIPQQKS-UHFFFAOYSA-N 0 0 398.959 5.840 50 0 GKAARN CC(=O)c1ccc(OC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000003005154 206452783 /nfs/dbraw/zinc/45/27/83/206452783.db2.gz SXRFPRQJHJVXPG-UHFFFAOYSA-N 0 0 381.431 5.632 50 0 GKAARN Cc1ccc(NC(=O)c2sc(=S)n(-c3ccc(Cl)c(C)c3)c2N)cc1 ZINC000003034137 206454285 /nfs/dbraw/zinc/45/42/85/206454285.db2.gz VNEXPSDTISBVPU-UHFFFAOYSA-N 0 0 389.933 5.373 50 0 GKAARN Cc1ccc(Cl)cc1NC(=S)N(Cc1ccccc1Cl)C1CCCC1 ZINC000003036292 206454608 /nfs/dbraw/zinc/45/46/08/206454608.db2.gz OUQIOCXRDDQSEG-UHFFFAOYSA-N 0 0 393.383 6.443 50 0 GKAARN CCc1cccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCC2)c1 ZINC000003053557 206455899 /nfs/dbraw/zinc/45/58/99/206455899.db2.gz MDDLOWZDKFWGEM-UHFFFAOYSA-N 0 0 377.557 5.872 50 0 GKAARN CC(=O)Nc1cc(C(=O)NCc2cccs2)ccc1Sc1ccc(C)cc1 ZINC000003049256 206456289 /nfs/dbraw/zinc/45/62/89/206456289.db2.gz TZSWZHQAJPTJJY-UHFFFAOYSA-N 0 0 396.537 5.096 50 0 GKAARN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000003087205 206457808 /nfs/dbraw/zinc/45/78/08/206457808.db2.gz BRFPAXVNKRVYOC-UHFFFAOYSA-N 0 0 399.708 7.167 50 0 GKAARN Clc1ccc(-c2nnsc2Sc2ccc(Br)cc2)cc1 ZINC000003118876 206458410 /nfs/dbraw/zinc/45/84/10/206458410.db2.gz JFOUQTCAJARBCO-UHFFFAOYSA-N 0 0 383.723 5.772 50 0 GKAARN Cc1c2cc(Br)ccc2oc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000003134523 206458902 /nfs/dbraw/zinc/45/89/02/206458902.db2.gz WFJXGULLLXDFRX-UHFFFAOYSA-N 0 0 384.056 6.042 50 0 GKAARN O=C(C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1cccs1 ZINC000003195775 206460990 /nfs/dbraw/zinc/46/09/90/206460990.db2.gz DKXYCNFMRPFGBJ-IBGZPJMESA-N 0 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/nfs/dbraw/zinc/50/70/12/206507012.db2.gz QIGGTGCZKZVMDX-UHFFFAOYSA-N 0 0 381.888 5.781 50 0 GKAARN Fc1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000004211953 206509017 /nfs/dbraw/zinc/50/90/17/206509017.db2.gz JSOJNNAOCYUJSS-UHFFFAOYSA-N 0 0 395.890 6.019 50 0 GKAARN CC(C)CC[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2CCC(C)C)cc1 ZINC000004321535 206514184 /nfs/dbraw/zinc/51/41/84/206514184.db2.gz HMFLCOGHDAOZKE-YHDSQAASSA-N 0 0 384.564 5.708 50 0 GKAARN Brc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000004352746 206515761 /nfs/dbraw/zinc/51/57/61/206515761.db2.gz BSQFJBYJUQJNMZ-UHFFFAOYSA-N 0 0 389.296 5.486 50 0 GKAARN CCC[C@@H]1Nc2cc3ccccc3cc2[C@@H](Nc2ccc3ccccc3c2)[C@@H]1CC ZINC000004359243 206517874 /nfs/dbraw/zinc/51/78/74/206517874.db2.gz HQZMQFIQDVYNQA-XDIPAPSNSA-N 0 0 394.562 7.767 50 0 GKAARN CCc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc1 ZINC000004554612 206528485 /nfs/dbraw/zinc/52/84/85/206528485.db2.gz UNUAFBPGEGIPEP-OXQOHEQNSA-N 0 0 382.573 6.281 50 0 GKAARN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004561144 206528751 /nfs/dbraw/zinc/52/87/51/206528751.db2.gz ZNUMBJWSHANYMO-NSHDSACASA-N 0 0 381.328 5.634 50 0 GKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccccc1F ZINC000004562890 206530656 /nfs/dbraw/zinc/53/06/56/206530656.db2.gz WPAIGSPRYLFXSE-UHFFFAOYSA-N 0 0 378.325 5.313 50 0 GKAARN C/C(=C\c1nsc(Nc2ccc(F)c(Cl)c2)n1)NCCc1ccccc1 ZINC000004575932 206531724 /nfs/dbraw/zinc/53/17/24/206531724.db2.gz IVJPIBLNSYSMOB-ACCUITESSA-N 0 0 388.899 5.267 50 0 GKAARN CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C ZINC000004603467 206533714 /nfs/dbraw/zinc/53/37/14/206533714.db2.gz BFCNVEUHYKTCHL-DVECYGJZSA-N 0 0 392.543 5.876 50 0 GKAARN O=C1OC(c2ccco2)=N/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000001117772 211502089 /nfs/dbraw/zinc/50/20/89/211502089.db2.gz DHIBTESRFGGNKT-RCCKNPSSSA-N 0 0 395.414 5.356 50 0 GKAARN COc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(/C=C/c2ccncc2)c1 ZINC000004710174 206545493 /nfs/dbraw/zinc/54/54/93/206545493.db2.gz 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ZINC000032952971 210608064 /nfs/dbraw/zinc/60/80/64/210608064.db2.gz XUHNMBWAAQCBQC-LJQANCHMSA-N 0 0 395.506 5.356 50 0 GKAARN COc1cccc(-c2csc(-c3nc(-c4ccc(OC)c(F)c4)cs3)n2)c1 ZINC000032955105 210607617 /nfs/dbraw/zinc/60/76/17/210607617.db2.gz IQMUOWIKWGYYGA-UHFFFAOYSA-N 0 0 398.484 5.757 50 0 GKAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(C(F)(F)F)cc1 ZINC000019927089 207169696 /nfs/dbraw/zinc/16/96/96/207169696.db2.gz HEEMQYHUMTUGAF-HNNXBMFYSA-N 0 0 392.229 5.791 50 0 GKAARN CC(C)c1ccc(-c2nn3c(nnc3-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC000019910189 207169800 /nfs/dbraw/zinc/16/98/00/207169800.db2.gz RBSGJUQXRRQRIR-UHFFFAOYSA-N 0 0 388.418 5.662 50 0 GKAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4CCCCCC4)cc3)o2)cc1 ZINC000032808599 210590919 /nfs/dbraw/zinc/59/09/19/210590919.db2.gz PFZIJQVJXWWFSA-UHFFFAOYSA-N 0 0 375.472 5.165 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 ZINC000019925435 207170815 /nfs/dbraw/zinc/17/08/15/207170815.db2.gz HHNNRSPFQWGYEA-UHFFFAOYSA-N 0 0 392.842 5.799 50 0 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COc1cccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)c1OC ZINC000046076774 207672311 /nfs/dbraw/zinc/67/23/11/207672311.db2.gz YQKVUBZEDYADFR-HNNXBMFYSA-N 0 0 383.444 5.046 50 0 GKAARN CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)n1 ZINC000048311122 207693776 /nfs/dbraw/zinc/69/37/76/207693776.db2.gz PTVQJMXMPUNCKH-UHFFFAOYSA-N 0 0 391.496 5.286 50 0 GKAARN COc1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)cc1 ZINC000048991725 207703212 /nfs/dbraw/zinc/70/32/12/207703212.db2.gz UAYSQHLSQAHIPM-UHFFFAOYSA-N 0 0 392.455 5.606 50 0 GKAARN CCCCc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004629 207705441 /nfs/dbraw/zinc/70/54/41/207705441.db2.gz HQAXMVQSUAHEQA-UHFFFAOYSA-N 0 0 388.515 5.260 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=O)CSC2=Nc3ccccc3CS2)cc1 ZINC000053615141 207723030 /nfs/dbraw/zinc/72/30/30/207723030.db2.gz FGEFHROCISFLFD-LJQANCHMSA-N 0 0 398.553 5.026 50 0 GKAARN Clc1ccc(Cc2noc3c2ccc2c3CN(Cc3ccco3)CO2)cc1 ZINC000054313735 207725481 /nfs/dbraw/zinc/72/54/81/207725481.db2.gz 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5.274 50 0 GKAARN COc1ccc(CSc2nccn3nc(-c4ccc(C(C)C)cc4)cc23)cc1 ZINC000064700592 207808098 /nfs/dbraw/zinc/80/80/98/207808098.db2.gz DHLYRKRIGQMLNM-UHFFFAOYSA-N 0 0 389.524 5.821 50 0 GKAARN COc1ccc(-c2cc(-c3ccco3)cc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1 ZINC000059186242 207785130 /nfs/dbraw/zinc/78/51/30/207785130.db2.gz UOXXOAGXPCYEMM-UHFFFAOYSA-N 0 0 398.418 5.015 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 ZINC000061997127 207792127 /nfs/dbraw/zinc/79/21/27/207792127.db2.gz KLIKXIJYIQZKGX-UHFFFAOYSA-N 0 0 386.835 5.043 50 0 GKAARN CC(C)C(=O)Nc1ccc(C2(C(=O)N(C)Cc3ccccc3)CCCCC2)cc1 ZINC000065027495 207828846 /nfs/dbraw/zinc/82/88/46/207828846.db2.gz CCGAMTHNGMOYJN-UHFFFAOYSA-N 0 0 392.543 5.142 50 0 GKAARN CCc1nc(-c2ccc(-c3noc(COc4ccc(OC)cc4)n3)cc2)cs1 ZINC000065032356 207830660 /nfs/dbraw/zinc/83/06/60/207830660.db2.gz MIIZXGQRVSKGPL-UHFFFAOYSA-N 0 0 393.468 5.010 50 0 GKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)c3ccco3)cc21 ZINC000065034171 207830866 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Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c(Cl)c1 ZINC000065320550 207862741 /nfs/dbraw/zinc/86/27/41/207862741.db2.gz MJCULGLCZOQUMN-QGZVFWFLSA-N 0 0 382.851 5.067 50 0 GKAARN Cc1cc(-c2c(-c3ccccc3)ncn2CCc2cnccn2)c(C)n1C(C)C ZINC000065370259 207866609 /nfs/dbraw/zinc/86/66/09/207866609.db2.gz KEPXIVBMMKUYJK-UHFFFAOYSA-N 0 0 385.515 5.249 50 0 GKAARN CC(C)c1nccc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2ccncc2)n1 ZINC000065419230 207870309 /nfs/dbraw/zinc/87/03/09/207870309.db2.gz IRHQSDUXPHCVLT-SFHVURJKSA-N 0 0 383.499 5.329 50 0 GKAARN Brc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1 ZINC000066340301 207881381 /nfs/dbraw/zinc/88/13/81/207881381.db2.gz JEYLGFCAZBGCMC-UHFFFAOYSA-N 0 0 398.303 7.213 50 0 GKAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1cccc(Cl)c1 ZINC000067245438 207884697 /nfs/dbraw/zinc/88/46/97/207884697.db2.gz RMBXZSUNEIVHHI-UHFFFAOYSA-N 0 0 399.837 5.361 50 0 GKAARN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1ccc(Cl)cc1 ZINC000067260751 207884763 /nfs/dbraw/zinc/88/47/63/207884763.db2.gz 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207951949 /nfs/dbraw/zinc/95/19/49/207951949.db2.gz MNKIEUUPHVYRII-UHFFFAOYSA-N 0 0 376.525 5.295 50 0 GKAARN FC(F)(F)COc1ccc(Br)cc1C1C2CC3CC(C2)CC1C3 ZINC000071791753 207961737 /nfs/dbraw/zinc/96/17/37/207961737.db2.gz AYTGWNPYDOAOOE-UHFFFAOYSA-N 0 0 389.255 5.930 50 0 GKAARN O=C1N=C(Nc2ccc(F)c(Cl)c2)C(=Cc2cc3ccccc3[nH]c2=O)S1 ZINC000072401661 208013427 /nfs/dbraw/zinc/01/34/27/208013427.db2.gz VCERALLRHABSMY-PXNMLYILSA-N 0 0 399.834 5.039 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(F)cc2Cl)S1 ZINC000085411841 208100158 /nfs/dbraw/zinc/10/01/58/208100158.db2.gz LNZFCAFZMKFCML-INIZCTEOSA-N 0 0 379.888 5.360 50 0 GKAARN Cc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c1 ZINC000085649903 208100337 /nfs/dbraw/zinc/10/03/37/208100337.db2.gz LFAVRALCHYCAOH-UHFFFAOYSA-N 0 0 394.478 5.126 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(Cl)cc2)S1 ZINC000085412014 208100931 /nfs/dbraw/zinc/10/09/31/208100931.db2.gz XHOBOVRNWMCWGG-KRWDZBQOSA-N 0 0 375.925 5.611 50 0 GKAARN CC[C@@H](C)N1C(=O)CC[C@H]1c1c2ccccc2[nH]c1-c1cc(OC)ccc1OC ZINC000085430353 208101023 /nfs/dbraw/zinc/10/10/23/208101023.db2.gz WNDHEIOUQWRYIX-QRWLVFNGSA-N 0 0 392.499 5.314 50 0 GKAARN CC[C@H](C)n1ncc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC000130915463 208102484 /nfs/dbraw/zinc/10/24/84/208102484.db2.gz QZGPBFYGIWNSLY-QWHCGFSZSA-N 0 0 379.426 5.241 50 0 GKAARN C[C@@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@@H](c2ccccc2)O1 ZINC000084714083 208097519 /nfs/dbraw/zinc/09/75/19/208097519.db2.gz GOZLCCKJIJPGEV-UZLBHIALSA-N 0 0 378.497 5.409 50 0 GKAARN COc1ccsc1C(=O)O[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000089562757 208106944 /nfs/dbraw/zinc/10/69/44/208106944.db2.gz RPSXGPBBULVLLV-NSHDSACASA-N 0 0 377.462 5.246 50 0 GKAARN O=C(c1ccc(-c2ccccc2Cl)o1)N(CC(F)(F)F)c1ccccn1 ZINC000095373497 208168414 /nfs/dbraw/zinc/16/84/14/208168414.db2.gz IMZMVTLLNPMEPN-UHFFFAOYSA-N 0 0 380.753 5.204 50 0 GKAARN CC(C)c1ccc(CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000040143305 210534021 /nfs/dbraw/zinc/53/40/21/210534021.db2.gz HXIOZHZXKZMNPL-UHFFFAOYSA-N 0 0 376.500 5.290 50 0 GKAARN C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)[C@@H]1CCCO1 ZINC000095348587 208155246 /nfs/dbraw/zinc/15/52/46/208155246.db2.gz LADZTZUUORFUCF-ZTQAJYAQSA-N 0 0 394.902 5.035 50 0 GKAARN c1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)cc1 ZINC000027985929 210519243 /nfs/dbraw/zinc/51/92/43/210519243.db2.gz CAKOBGOIULHGOZ-UHFFFAOYSA-N 0 0 378.435 5.564 50 0 GKAARN CCc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 ZINC000028292961 210526190 /nfs/dbraw/zinc/52/61/90/210526190.db2.gz AVVWOMMCMOLTLL-QGZVFWFLSA-N 0 0 394.902 5.298 50 0 GKAARN O=C(CCCCC(=O)c1ccccc1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000095465929 208187814 /nfs/dbraw/zinc/18/78/14/208187814.db2.gz OKTUDQIEFARMOP-JOCHJYFZSA-N 0 0 379.475 5.321 50 0 GKAARN O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)N(Cc1cccnc1)C1CC1 ZINC000095502602 208203325 /nfs/dbraw/zinc/20/33/25/208203325.db2.gz PJONUJUEEGLRGB-QFIPXVFZSA-N 0 0 390.914 5.448 50 0 GKAARN O=C(Nc1scnc1-c1ccc(F)cc1)c1ccn(-c2ccccc2Cl)n1 ZINC000095947010 208242637 /nfs/dbraw/zinc/24/26/37/208242637.db2.gz LSTBCMQVLXORKH-UHFFFAOYSA-N 0 0 398.850 5.041 50 0 GKAARN Cc1ccccc1-c1csc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)n1 ZINC000095957906 208245388 /nfs/dbraw/zinc/24/53/88/208245388.db2.gz OAZUSBIEKUKETO-UHFFFAOYSA-N 0 0 394.422 5.167 50 0 GKAARN Cc1csc(Sc2ccc(NC(=O)c3cnc4ccccc4n3)c(C)c2)n1 ZINC000095961604 208246128 /nfs/dbraw/zinc/24/61/28/208246128.db2.gz WCIHYASRCZJEBU-UHFFFAOYSA-N 0 0 392.509 5.107 50 0 GKAARN Cc1nnc(-c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)o1 ZINC000095961685 208246723 /nfs/dbraw/zinc/24/67/23/208246723.db2.gz CAQGQMHYIBCNOJ-UHFFFAOYSA-N 0 0 396.859 5.074 50 0 GKAARN CSc1ccc(-c2csc(NC(=O)c3ncccc3C(F)(F)F)n2)cc1 ZINC000095983262 208247832 /nfs/dbraw/zinc/24/78/32/208247832.db2.gz NJUAPJLCSUAMPO-UHFFFAOYSA-N 0 0 395.431 5.198 50 0 GKAARN Cc1ccccc1-c1csc(NC(=O)c2cnn(CC(C)C)c2C(F)F)n1 ZINC000095976095 208249547 /nfs/dbraw/zinc/24/95/47/208249547.db2.gz 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ZINC000096293164 208304992 /nfs/dbraw/zinc/30/49/92/208304992.db2.gz CIPCENJZXWESLQ-MRXNPFEDSA-N 0 0 397.906 5.182 50 0 GKAARN Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2C2CCCCC2)cc1 ZINC000096299928 208305297 /nfs/dbraw/zinc/30/52/97/208305297.db2.gz TYUMOCNHJAJZPO-UHFFFAOYSA-N 0 0 377.557 6.224 50 0 GKAARN C/C=C\c1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(OC)c1OC ZINC000096925911 208330351 /nfs/dbraw/zinc/33/03/51/208330351.db2.gz WOLKFDVJXLRHAR-PLNGDYQASA-N 0 0 380.469 5.113 50 0 GKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000097104943 208335628 /nfs/dbraw/zinc/33/56/28/208335628.db2.gz LEVZAPKYZNSCLK-OAQYLSRUSA-N 0 0 391.927 5.888 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(SC(C)C)sc3c2)cc1C ZINC000096399608 208316471 /nfs/dbraw/zinc/31/64/71/208316471.db2.gz AXNZPWFTFUVJCT-UHFFFAOYSA-N 0 0 392.571 5.214 50 0 GKAARN Cn1c2ccccc2c(CNC(=O)Nc2ccc(Cl)cc2)c1-c1cccs1 ZINC000096399077 208316892 /nfs/dbraw/zinc/31/68/92/208316892.db2.gz WVAYYESAWGOXGU-UHFFFAOYSA-N 0 0 395.915 5.882 50 0 GKAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)Cc2cccc(Cl)c2)n[nH]1 ZINC000096400281 208317129 /nfs/dbraw/zinc/31/71/29/208317129.db2.gz NULKUCFSBYFHJU-UHFFFAOYSA-N 0 0 392.890 5.194 50 0 GKAARN CSc1ccc(/C=C\C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000096600605 208321013 /nfs/dbraw/zinc/32/10/13/208321013.db2.gz IOUUDVRKQRHSNJ-WTKPLQERSA-N 0 0 388.464 5.462 50 0 GKAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2s1 ZINC000025425791 210481396 /nfs/dbraw/zinc/48/13/96/210481396.db2.gz NOZKOXFLLGIQJD-SECBINFHSA-N 0 0 380.300 5.351 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073085 208366902 /nfs/dbraw/zinc/36/69/02/208366902.db2.gz KAPIKJKRKQUOFM-HNNXBMFYSA-N 0 0 393.870 5.322 50 0 GKAARN O=C(/C=C\c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000098063075 208367216 /nfs/dbraw/zinc/36/72/16/208367216.db2.gz ZWBNWIGDMNOFAO-SYKNXGGPSA-N 0 0 386.882 5.731 50 0 GKAARN O=C(/C=C\c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000098063076 208367319 /nfs/dbraw/zinc/36/73/19/208367319.db2.gz ZWBNWIGDMNOFAO-HVMBHNBBSA-N 0 0 386.882 5.731 50 0 GKAARN C[C@H](NS(=O)(=O)/C(Cl)=C(\Cl)c1ccccc1)c1cc2ccccc2o1 ZINC000098063078 208367785 /nfs/dbraw/zinc/36/77/85/208367785.db2.gz OSKIVNRPEFYKLI-GHXQLAGASA-N 0 0 396.295 5.217 50 0 GKAARN Cc1nc(C)c([C@@H](C)NC(=O)/C=C\c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000098055072 208368081 /nfs/dbraw/zinc/36/80/81/208368081.db2.gz WBTVHSSAAMOQNI-ISGFRBBESA-N 0 0 388.842 5.323 50 0 GKAARN Cc1ccccc1-c1csc(-c2nc(-c3ccccc3)no2)c1-n1cccc1 ZINC000098212002 208369141 /nfs/dbraw/zinc/36/91/41/208369141.db2.gz JXBQKAZTEMMQNT-UHFFFAOYSA-N 0 0 383.476 6.231 50 0 GKAARN CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCC)cc3)cc2)CC1 ZINC000100003914 208369240 /nfs/dbraw/zinc/36/92/40/208369240.db2.gz HXLYEYFZHOXJOP-BGYRXZFFSA-N 0 0 380.528 6.769 50 0 GKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)[nH]c(=S)n3CC)cc1 ZINC000025056573 210477400 /nfs/dbraw/zinc/47/74/00/210477400.db2.gz NPYAAPILVJFSOQ-IBGZPJMESA-N 0 0 395.528 5.095 50 0 GKAARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000100429560 208376808 /nfs/dbraw/zinc/37/68/08/208376808.db2.gz KWBQHVANZIHARK-UPCLLVRISA-N 0 0 386.451 5.917 50 0 GKAARN O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000100577834 208377502 /nfs/dbraw/zinc/37/75/02/208377502.db2.gz JMOFDANCFLDMPT-IBGZPJMESA-N 0 0 375.855 5.129 50 0 GKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100679769 208378098 /nfs/dbraw/zinc/37/80/98/208378098.db2.gz HEVBIKXQYWRLKO-NRFANRHFSA-N 0 0 375.834 5.885 50 0 GKAARN CC1=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100819542 208381758 /nfs/dbraw/zinc/38/17/58/208381758.db2.gz ZHPHBZCWGGOMDX-FCHUYYIVSA-N 0 0 389.495 5.622 50 0 GKAARN CC(=O)[C@@H](C(=O)c1ccc(F)cc1)C1c2ccccc2Sc2ccccc21 ZINC000100833010 208383817 /nfs/dbraw/zinc/38/38/17/208383817.db2.gz PYEVAXSVSVWERE-OAQYLSRUSA-N 0 0 376.452 5.510 50 0 GKAARN Cc1nc2ccc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc2o1 ZINC000024760511 210468948 /nfs/dbraw/zinc/46/89/48/210468948.db2.gz AAWZVEGVQDRLGW-UHFFFAOYSA-N 0 0 386.329 5.667 50 0 GKAARN CC(C)c1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000101100863 208388167 /nfs/dbraw/zinc/38/81/67/208388167.db2.gz HGDQTPRNYVLGFG-LJQANCHMSA-N 0 0 395.304 5.220 50 0 GKAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3c(Cl)cccc3Cl)C2)cc1 ZINC000101127669 208388175 /nfs/dbraw/zinc/38/81/75/208388175.db2.gz FMNLHSOOOHCLFK-OAHLLOKOSA-N 0 0 377.662 5.294 50 0 GKAARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4c(C)noc4C)c3)n2)cc1 ZINC000023446807 210448417 /nfs/dbraw/zinc/44/84/17/210448417.db2.gz WQVDOOVEUALFEW-UHFFFAOYSA-N 0 0 399.450 5.281 50 0 GKAARN Fc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3c4ccccc4nc3N2)cc1 ZINC000101221699 208389237 /nfs/dbraw/zinc/38/92/37/208389237.db2.gz FRISTXGCCPNUIS-FPOVZHCZSA-N 0 0 377.850 5.975 50 0 GKAARN COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(C)c2)cc1 ZINC000101360921 208391721 /nfs/dbraw/zinc/39/17/21/208391721.db2.gz JEPPQHMPYFXNBQ-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 GKAARN COc1ccc(-c2onc3c2CCc2ccccc2-3)cc1NC(=O)C(C)(C)C ZINC000023321547 210440386 /nfs/dbraw/zinc/44/03/86/210440386.db2.gz SWRQINMKXDFTJH-UHFFFAOYSA-N 0 0 376.456 5.100 50 0 GKAARN CCCCCCN(C)C(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000023316868 210440392 /nfs/dbraw/zinc/44/03/92/210440392.db2.gz YFHMREAIUCEBEJ-UHFFFAOYSA-N 0 0 390.527 5.953 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@@H](C)C(C)(C)C)cc2)c1 ZINC000023304918 210438924 /nfs/dbraw/zinc/43/89/24/210438924.db2.gz AZEWMHNNVJDNRP-SFHVURJKSA-N 0 0 375.516 5.321 50 0 GKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C12 ZINC000101423502 208393980 /nfs/dbraw/zinc/39/39/80/208393980.db2.gz BXQRDJGHVAJGMO-SANMLTNESA-N 0 0 391.495 7.090 50 0 GKAARN CC(C)(C)C(=O)[C@@H]1C(C(C)(C)C)=CC(c2ccccc2)=C[C@]1(C)c1ccccc1 ZINC000101434920 208394351 /nfs/dbraw/zinc/39/43/51/208394351.db2.gz CPMXTCXVNZTJJT-RBJSKKJNSA-N 0 0 386.579 7.245 50 0 GKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1cccs1 ZINC000023723424 210452162 /nfs/dbraw/zinc/45/21/62/210452162.db2.gz HDCQEZSFLZGSSA-MRXNPFEDSA-N 0 0 380.900 5.445 50 0 GKAARN CC(C)[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000021889698 210398504 /nfs/dbraw/zinc/39/85/04/210398504.db2.gz ZZGKWBYFVIXMOM-NRFANRHFSA-N 0 0 397.881 6.015 50 0 GKAARN Cc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1 ZINC000021890869 210398402 /nfs/dbraw/zinc/39/84/02/210398402.db2.gz WCNZHGHJFHCVQO-RUZDIDTESA-N 0 0 393.490 5.923 50 0 GKAARN COc1ccc(-c2cc(NC(=O)c3ccccc3C)n(-c3ccccc3)n2)cc1 ZINC000021944903 210402682 /nfs/dbraw/zinc/40/26/82/210402682.db2.gz LWKDZMDDNMIOFA-UHFFFAOYSA-N 0 0 383.451 5.109 50 0 GKAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000021940240 210401652 /nfs/dbraw/zinc/40/16/52/210401652.db2.gz SCRVWGOSKNFCBM-UHFFFAOYSA-N 0 0 392.798 5.129 50 0 GKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021892907 210399166 /nfs/dbraw/zinc/39/91/66/210399166.db2.gz AYBLEHPNFHOSLJ-XMMPIXPASA-N 0 0 385.511 5.343 50 0 GKAARN CCOc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C(C)C)cc1 ZINC000021889716 210398878 /nfs/dbraw/zinc/39/88/78/210398878.db2.gz AGHFOFBEIGHISM-QHCPKHFHSA-N 0 0 389.499 5.621 50 0 GKAARN CCCCCOC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000021789092 210392504 /nfs/dbraw/zinc/39/25/04/210392504.db2.gz UGVQZMBZLSDOHK-UHFFFAOYSA-N 0 0 391.393 5.071 50 0 GKAARN O=C1C[C@@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000021728730 210391020 /nfs/dbraw/zinc/39/10/20/210391020.db2.gz ARHGKJMPNKMPFG-FQEVSTJZSA-N 0 0 383.426 5.153 50 0 GKAARN CC[C@H](C(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1)c1ccccc1 ZINC000021711021 210389842 /nfs/dbraw/zinc/38/98/42/210389842.db2.gz YQJZMKDRASHUNY-IBGZPJMESA-N 0 0 377.463 5.106 50 0 GKAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021708633 210389241 /nfs/dbraw/zinc/38/92/41/210389241.db2.gz SPVKIUYQMOQUCT-UHFFFAOYSA-N 0 0 395.506 6.025 50 0 GKAARN CN(C)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)c1 ZINC000021715385 210389023 /nfs/dbraw/zinc/38/90/23/210389023.db2.gz AABVGVYWTMHWSK-VWLOTQADSA-N 0 0 395.506 5.022 50 0 GKAARN CCc1ccccc1NC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021711555 210388649 /nfs/dbraw/zinc/38/86/49/210388649.db2.gz CIANOFUTCDTVLL-UHFFFAOYSA-N 0 0 384.439 5.610 50 0 GKAARN O=C(c1ccccc1C(F)(F)F)N(Cc1ccsc1)Cc1ccccn1 ZINC000044446023 208444295 /nfs/dbraw/zinc/44/42/95/208444295.db2.gz VRLYDNJBAQHEJG-UHFFFAOYSA-N 0 0 376.403 5.005 50 0 GKAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000021787175 210393535 /nfs/dbraw/zinc/39/35/35/210393535.db2.gz XWYAGWJDDFLRDS-JOCHJYFZSA-N 0 0 375.516 5.282 50 0 GKAARN CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(C)cc1)[C@@H]2c1ccccc1 ZINC000021047953 210376948 /nfs/dbraw/zinc/37/69/48/210376948.db2.gz OPYCPXWMWCVRBA-JOCHJYFZSA-N 0 0 390.552 6.107 50 0 GKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C)[C@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915810 208465308 /nfs/dbraw/zinc/46/53/08/208465308.db2.gz CYQDBDOFCYSROZ-DBLKQWTHSA-N 0 0 386.576 5.722 50 0 GKAARN CCc1c(C)sc2c1CCN(CC(=O)Nc1ccccc1)[C@H]2c1ccccc1 ZINC000021045651 210376502 /nfs/dbraw/zinc/37/65/02/210376502.db2.gz ADRCHOONPNVCHU-QHCPKHFHSA-N 0 0 390.552 5.205 50 0 GKAARN CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)O[C@H]1c1ccc2ccccc2c1 ZINC000021090895 210376280 /nfs/dbraw/zinc/37/62/80/210376280.db2.gz YJCYJAQXZWTCDI-SANMLTNESA-N 0 0 392.458 5.746 50 0 GKAARN COc1ccc2cc3cc(C(=O)N[C@@H](C)c4ccccc4)sc3nc2c1Cl ZINC000021087661 210376103 /nfs/dbraw/zinc/37/61/03/210376103.db2.gz SOCBLSWRDNUSOL-LBPRGKRZSA-N 0 0 396.899 5.603 50 0 GKAARN Cn1c(CCc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc2ccccc21 ZINC000021357795 210381468 /nfs/dbraw/zinc/38/14/68/210381468.db2.gz FTSPYJCXVWBRJX-UHFFFAOYSA-N 0 0 388.446 5.142 50 0 GKAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1cccc(Cl)c1 ZINC000021403186 210381263 /nfs/dbraw/zinc/38/12/63/210381263.db2.gz OWSNINYSELWGFZ-LBPRGKRZSA-N 0 0 390.817 5.083 50 0 GKAARN Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000000735059 208478220 /nfs/dbraw/zinc/47/82/20/208478220.db2.gz IQAQBXIZPJPNAB-UHFFFAOYSA-N 0 0 385.467 5.618 50 0 GKAARN Cc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2-n2cccc2)c(Cl)c1 ZINC000020980441 210371269 /nfs/dbraw/zinc/37/12/69/210371269.db2.gz JEUOHFVQWDTUTP-UHFFFAOYSA-N 0 0 394.837 5.016 50 0 GKAARN Cc1ccc(-c2csc3nnc(SCC(=O)c4ccc(Cl)cc4)n23)cc1 ZINC000000937514 208488341 /nfs/dbraw/zinc/48/83/41/208488341.db2.gz FIGITTTWDHRDBO-UHFFFAOYSA-N 0 0 399.928 5.395 50 0 GKAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccn1 ZINC000020918681 210368891 /nfs/dbraw/zinc/36/88/91/210368891.db2.gz XZSIHFATLFRFAS-RUZDIDTESA-N 0 0 383.495 5.109 50 0 GKAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)c(C)c1 ZINC000020900351 210367259 /nfs/dbraw/zinc/36/72/59/210367259.db2.gz HAWFEYYGOBZINO-QGZVFWFLSA-N 0 0 390.325 5.256 50 0 GKAARN COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3ccccc3)n2)cc1C ZINC000001322717 208491518 /nfs/dbraw/zinc/49/15/18/208491518.db2.gz VTESJHZYDIFXGJ-UHFFFAOYSA-N 0 0 399.490 5.827 50 0 biogenic GKAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000003201485 208508179 /nfs/dbraw/zinc/50/81/79/208508179.db2.gz ITOJFBWDFBYXFF-GJZGRUSLSA-N 0 0 390.499 6.148 50 0 GKAARN CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000003217377 208508196 /nfs/dbraw/zinc/50/81/96/208508196.db2.gz HGVXVWCIEGCAFS-UHFFFAOYSA-N 0 0 389.480 5.252 50 0 GKAARN Fc1cccc(Cl)c1CSc1nc2ccncc2n1Cc1ccccc1 ZINC000020864340 210364273 /nfs/dbraw/zinc/36/42/73/210364273.db2.gz XRKVUMVENCCZOT-UHFFFAOYSA-N 0 0 383.879 5.564 50 0 GKAARN O=C(C[C@H](SCc1ccco1)c1ccc(OC(F)F)cc1)c1ccco1 ZINC000003315219 208510780 /nfs/dbraw/zinc/51/07/80/208510780.db2.gz KRXMZACPMITMIG-SFHVURJKSA-N 0 0 378.396 5.722 50 0 GKAARN CCOc1ccc(C2=Nc3cc(F)ccc3N=C(c3ccc(F)cc3)N2)cc1 ZINC000020868457 210364000 /nfs/dbraw/zinc/36/40/00/210364000.db2.gz HZHWBNLPECWKOF-UHFFFAOYSA-N 0 0 377.394 5.314 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3cccc4ccccc43)cc12 ZINC000003279646 208510972 /nfs/dbraw/zinc/51/09/72/208510972.db2.gz 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/nfs/dbraw/zinc/70/79/76/208707976.db2.gz XHYFJLAHUNKRBZ-UHFFFAOYSA-N 0 0 398.098 5.472 50 0 GKAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc2ccccc2o1 ZINC000001178880 208708777 /nfs/dbraw/zinc/70/87/77/208708777.db2.gz WICTZMDVYVNICH-UHFFFAOYSA-N 0 0 398.793 5.232 50 0 GKAARN O=C(Nc1nc(C2CC2)cs1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000170613477 208752523 /nfs/dbraw/zinc/75/25/23/208752523.db2.gz BGKAVVJAXKBQSI-UHFFFAOYSA-N 0 0 395.431 5.415 50 0 GKAARN Cc1cc(NC(=O)CC2CCCCC2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012441982 208771775 /nfs/dbraw/zinc/77/17/75/208771775.db2.gz LFJMOXRWZMMXJR-UHFFFAOYSA-N 0 0 398.507 5.352 50 0 GKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000013022739 208779923 /nfs/dbraw/zinc/77/99/23/208779923.db2.gz CMFWDTTXDFRRMI-UHFFFAOYSA-N 0 0 378.497 5.149 50 0 GKAARN O=C(Nc1ccccc1SC(F)F)c1ccc(F)cc1Br ZINC000012796716 208775656 /nfs/dbraw/zinc/77/56/56/208775656.db2.gz BYTUVAFLKAKGTP-UHFFFAOYSA-N 0 0 376.197 5.155 50 0 GKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3C)c12 ZINC000012894170 208777222 /nfs/dbraw/zinc/77/72/22/208777222.db2.gz KDQQEKRHXSZROH-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN Cc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000013748712 208786469 /nfs/dbraw/zinc/78/64/69/208786469.db2.gz FVZCLKXGDFKOOM-NRFANRHFSA-N 0 0 395.506 5.222 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1Cl ZINC000004542029 208807995 /nfs/dbraw/zinc/80/79/95/208807995.db2.gz UWLOXGXSPWMGGP-UHFFFAOYSA-N 0 0 379.765 6.180 50 0 GKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(CCc2ccc(Cl)cc2)CO1 ZINC000020610145 208816847 /nfs/dbraw/zinc/81/68/47/208816847.db2.gz HYPZFZCFWHFOCX-UHFFFAOYSA-N 0 0 397.902 5.184 50 0 biogenic GKAARN COc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(C(C)C)cc2)c(OC)c1 ZINC000000692220 220452711 /nfs/dbraw/zinc/45/27/11/220452711.db2.gz FVPHIDHWHYYZMJ-HXUWFJFHSA-N 0 0 386.517 5.107 50 0 GKAARN Cc1c(C(=O)NC[C@@H](C)c2ccccc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000022516981 208843574 /nfs/dbraw/zinc/84/35/74/208843574.db2.gz JBRSYOXSZKVCDG-CYBMUJFWSA-N 0 0 391.496 5.102 50 0 GKAARN CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CCC1 ZINC000000695952 220454206 /nfs/dbraw/zinc/45/42/06/220454206.db2.gz KLKSZCSIELPNRR-UHFFFAOYSA-N 0 0 377.893 5.372 50 0 GKAARN COc1cc(C(=O)NC2CCCCCCCCCCC2)cc(OC)c1OC ZINC000000729769 220455999 /nfs/dbraw/zinc/45/59/99/220455999.db2.gz XPRZPAVEZZWNAQ-UHFFFAOYSA-N 0 0 377.525 5.116 50 0 GKAARN COc1ccc(NC(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 ZINC000022479743 208840905 /nfs/dbraw/zinc/84/09/05/208840905.db2.gz CNMQHLAJTPZTFJ-UHFFFAOYSA-N 0 0 395.440 5.218 50 0 GKAARN CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000000954921 220470314 /nfs/dbraw/zinc/47/03/14/220470314.db2.gz WNTCZXVZBVENHH-NTCAYCPXSA-N 0 0 379.500 5.130 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1ccccc1Br ZINC000058006810 208854422 /nfs/dbraw/zinc/85/44/22/208854422.db2.gz HATILZCFBOVWCZ-GFCCVEGCSA-N 0 0 398.753 5.671 50 0 GKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000001120390 220475529 /nfs/dbraw/zinc/47/55/29/220475529.db2.gz RNIXQTGLUOGYRM-UHFFFAOYSA-N 0 0 386.407 5.038 50 0 GKAARN C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000024642704 208868690 /nfs/dbraw/zinc/86/86/90/208868690.db2.gz QCJOMDFUWSXIJS-CQSZACIVSA-N 0 0 395.503 5.044 50 0 GKAARN O=c1c2ccccc2nc2n1[C@H](CSc1cc(Cl)ccc1Cl)CS2 ZINC000001405478 220494720 /nfs/dbraw/zinc/49/47/20/220494720.db2.gz AMKQLBQRRYUAHE-LLVKDONJSA-N 0 0 395.336 5.142 50 0 GKAARN CN1c2ccc3ccccc3c2C(C)(C)[C@]12C=Nc1c(ccc3ncccc31)O2 ZINC000001507793 220498752 /nfs/dbraw/zinc/49/87/52/220498752.db2.gz HFJWOIWKKXHDCY-RUZDIDTESA-N 0 0 379.463 5.607 50 0 biogenic GKAARN Cc1sc2ncnc(SCc3ccccc3Cl)c2c1-c1ccccc1 ZINC000001787578 220499664 /nfs/dbraw/zinc/49/96/64/220499664.db2.gz NISZVOYQVODXAR-UHFFFAOYSA-N 0 0 382.941 6.612 50 0 GKAARN CCCc1cc(=O)oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 ZINC000002126520 220505259 /nfs/dbraw/zinc/50/52/59/220505259.db2.gz YHGNTTKOVPPQOE-UHFFFAOYSA-N 0 0 380.443 6.826 50 0 biogenic GKAARN Cc1cc(Br)ccc1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000002134639 220505390 /nfs/dbraw/zinc/50/53/90/220505390.db2.gz YCZPBVGQCGFZFE-UHFFFAOYSA-N 0 0 381.269 5.495 50 0 GKAARN Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(-c3ccccc3)cc(=O)oc12 ZINC000002151249 220506195 /nfs/dbraw/zinc/50/61/95/220506195.db2.gz GXEDEXUCTPIRNT-UHFFFAOYSA-N 0 0 386.834 6.835 50 0 biogenic GKAARN CC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCC3)cc2c1CCC2 ZINC000002170409 220506861 /nfs/dbraw/zinc/50/68/61/220506861.db2.gz MGGIWTOVKGPVEB-UHFFFAOYSA-N 0 0 384.614 6.122 50 0 GKAARN CC(C)Oc1ccc([C@H](CC(=O)Nc2nccs2)Cc2ccccc2)cc1 ZINC000002236248 220513959 /nfs/dbraw/zinc/51/39/59/220513959.db2.gz OMTIYJSOUQVELR-IBGZPJMESA-N 0 0 380.513 5.285 50 0 GKAARN c1ccc(-c2nc(SCc3cccc4ccccc43)nc3c2CCCC3)cc1 ZINC000002265917 220515055 /nfs/dbraw/zinc/51/50/55/220515055.db2.gz NNKVEQZOJFZYLS-UHFFFAOYSA-N 0 0 382.532 6.468 50 0 GKAARN Cc1ccc(Oc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 ZINC000002266900 220515320 /nfs/dbraw/zinc/51/53/20/220515320.db2.gz MFHATVGTKMBXJJ-UHFFFAOYSA-N 0 0 381.262 6.704 50 0 GKAARN CCCc1nc2sc3c(ncnc3OCc3ccccc3)c2c2c1CCCC2 ZINC000002262852 220515977 /nfs/dbraw/zinc/51/59/77/220515977.db2.gz QIZDJEXJWKTORI-UHFFFAOYSA-N 0 0 389.524 5.650 50 0 GKAARN O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1 ZINC000002303738 220520745 /nfs/dbraw/zinc/52/07/45/220520745.db2.gz UCIOORWBQYKSLG-PDGQHHTCSA-N 0 0 381.840 5.841 50 0 GKAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1cccc(Cl)c1 ZINC000002293217 220519156 /nfs/dbraw/zinc/51/91/56/220519156.db2.gz QITGZKSVNRCXIT-FQEVSTJZSA-N 0 0 381.888 5.329 50 0 GKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000002293524 220520400 /nfs/dbraw/zinc/52/04/00/220520400.db2.gz OBJGWJZLMZTFIH-UHFFFAOYSA-N 0 0 383.369 5.972 50 0 GKAARN CC(C)CC(=O)Nc1ccccc1Sc1ncnc2sc3c(c21)CCCC3 ZINC000002355274 220525894 /nfs/dbraw/zinc/52/58/94/220525894.db2.gz XTIVCRYSWCXMAW-UHFFFAOYSA-N 0 0 397.569 5.706 50 0 GKAARN CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@H](C)c1ccccc1)CCC3 ZINC000002353820 220526378 /nfs/dbraw/zinc/52/63/78/220526378.db2.gz BGYDNIDLOCRRKD-GOSISDBHSA-N 0 0 390.523 6.545 50 0 GKAARN CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000002398784 220529482 /nfs/dbraw/zinc/52/94/82/220529482.db2.gz MMSZEXDFIMRJJG-UHFFFAOYSA-N 0 0 385.423 5.055 50 0 GKAARN Cc1sc2nc(SCc3cccc(C)c3)n(Cc3ccco3)c(=O)c2c1C ZINC000002394434 220530303 /nfs/dbraw/zinc/53/03/03/220530303.db2.gz ZYGAMWVVETZRIU-UHFFFAOYSA-N 0 0 396.537 5.317 50 0 aggregator GKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(C)c3)cc12 ZINC000002413563 220531353 /nfs/dbraw/zinc/53/13/53/220531353.db2.gz NDKBIWHZXOYDBQ-UHFFFAOYSA-N 0 0 381.888 5.610 50 0 GKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Cl ZINC000002317205 220522532 /nfs/dbraw/zinc/52/25/32/220522532.db2.gz CCSAALOGORZMSJ-KKSFZXQISA-N 0 0 376.887 5.932 50 0 GKAARN CCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)c(C)c2oc1=O ZINC000002327501 220522742 /nfs/dbraw/zinc/52/27/42/220522742.db2.gz JSEBTFCKRNQGAE-UHFFFAOYSA-N 0 0 386.447 5.387 50 0 GKAARN CCn1c(=O)c2c(nc1SCCC(C)C)-c1ccccc1CC21CCCCC1 ZINC000002346771 220523961 /nfs/dbraw/zinc/52/39/61/220523961.db2.gz WJMISQGQMCNVQC-UHFFFAOYSA-N 0 0 396.600 5.826 50 0 biogenic GKAARN Fc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 ZINC000002335911 220524613 /nfs/dbraw/zinc/52/46/13/220524613.db2.gz JTSUGBAOHSECOK-PMACEKPBSA-N 0 0 384.248 5.819 50 0 GKAARN COc1ccc(C(=O)CCSCc2c(C)c(C)c(C)c(C)c2C)cc1OC ZINC000002531709 220541434 /nfs/dbraw/zinc/54/14/34/220541434.db2.gz OTNAVAWRACQIHY-UHFFFAOYSA-N 0 0 386.557 5.752 50 0 GKAARN c1sc(Nc2cccc3ccccc32)nc1-c1ccc(-c2ccccc2)cc1 ZINC000002485627 220539573 /nfs/dbraw/zinc/53/95/73/220539573.db2.gz DWKNNXYFQHOOHY-UHFFFAOYSA-N 0 0 378.500 7.374 50 0 GKAARN O=C(C[C@@H](Nc1ccc(Br)cc1)c1ccccc1)c1ccccc1 ZINC000002493457 220540068 /nfs/dbraw/zinc/54/00/68/220540068.db2.gz OWCUFVPBXFRRPV-HXUWFJFHSA-N 0 0 380.285 5.875 50 0 GKAARN Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2I)cc1 ZINC000002522193 220540993 /nfs/dbraw/zinc/54/09/93/220540993.db2.gz WJZVPEGNZWPGJE-UHFFFAOYSA-N 0 0 384.260 6.242 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 ZINC000002650607 220548465 /nfs/dbraw/zinc/54/84/65/220548465.db2.gz QVFOGQSRZQJXGM-CYBMUJFWSA-N 0 0 378.335 5.693 50 0 GKAARN Cc1nn(-c2ccccc2C)c2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000002662676 220549750 /nfs/dbraw/zinc/54/97/50/220549750.db2.gz UMBVCRWYRKZIBL-UHFFFAOYSA-N 0 0 375.475 6.371 50 0 GKAARN O=c1c2c([nH]c(=S)n1CC1CCCCC1)-c1ccccc1CC21CCCCC1 ZINC000002587571 220542967 /nfs/dbraw/zinc/54/29/67/220542967.db2.gz KUGFFPMCHVAPFM-UHFFFAOYSA-N 0 0 394.584 5.911 50 0 GKAARN Cc1cc(NC(=O)c2ccccc2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000002736784 220559012 /nfs/dbraw/zinc/55/90/12/220559012.db2.gz XNCBFBTURLPVDG-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN CCc1ccc(-c2csc(NC(=O)c3ccc(OCC(C)C)cc3)n2)cc1 ZINC000002752398 220559721 /nfs/dbraw/zinc/55/97/21/220559721.db2.gz INMXSVRRZSCZIB-UHFFFAOYSA-N 0 0 380.513 5.660 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000002679251 220553030 /nfs/dbraw/zinc/55/30/30/220553030.db2.gz YSOQAPLDBBTJCR-UHFFFAOYSA-N 0 0 389.860 5.399 50 0 GKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)c1 ZINC000002692539 220553163 /nfs/dbraw/zinc/55/31/63/220553163.db2.gz IAVVOQLLOSBNGS-UHFFFAOYSA-N 0 0 397.404 5.318 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1csc(-c2ccco2)n1 ZINC000031420947 208985936 /nfs/dbraw/zinc/98/59/36/208985936.db2.gz FYEZJKNMIKBSLR-GFCCVEGCSA-N 0 0 392.933 5.625 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2ncnc3c4ccccc4oc32)c(C)c1 ZINC000002722810 220555697 /nfs/dbraw/zinc/55/56/97/220555697.db2.gz BOPYETPEXUZHOO-UHFFFAOYSA-N 0 0 377.469 5.032 50 0 GKAARN Cc1nn(C(C)(C)C)c(OC(=O)C2CCCC2)c1Sc1ccc(Cl)cc1 ZINC000002718615 220556417 /nfs/dbraw/zinc/55/64/17/220556417.db2.gz IIKMCANGDQIBKK-UHFFFAOYSA-N 0 0 392.952 5.847 50 0 GKAARN CC[C@@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000002721620 220556871 /nfs/dbraw/zinc/55/68/71/220556871.db2.gz PCVVYBBWGAPHNJ-CYBMUJFWSA-N 0 0 391.489 5.204 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000002850486 220573900 /nfs/dbraw/zinc/57/39/00/220573900.db2.gz KWVAUUPNCRAMFL-KBPBESRZSA-N 0 0 376.294 5.369 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967909 209002463 /nfs/dbraw/zinc/00/24/63/209002463.db2.gz VDOGWIXHODIPNR-SFHVURJKSA-N 0 0 384.479 5.170 50 0 GKAARN CCOc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1OC(F)F ZINC000002793730 220566649 /nfs/dbraw/zinc/56/66/49/220566649.db2.gz LRKLVUJBZSWMFI-CQSZACIVSA-N 0 0 391.458 5.475 50 0 GKAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000032910012 208992713 /nfs/dbraw/zinc/99/27/13/208992713.db2.gz BHVWZZHTNJJHMG-MRXNPFEDSA-N 0 0 385.419 5.231 50 0 GKAARN Cc1ccc(Cl)c(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 ZINC000002806247 220570639 /nfs/dbraw/zinc/57/06/39/220570639.db2.gz JKCBBBZBWWURHR-UHFFFAOYSA-N 0 0 390.830 5.078 50 0 GKAARN COc1ccccc1OCCCn1cc(C(=O)c2ccccc2)c2ccccc21 ZINC000002847127 220572766 /nfs/dbraw/zinc/57/27/66/220572766.db2.gz JXDKWHDQHDUMOC-UHFFFAOYSA-N 0 0 385.463 5.350 50 0 GKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000002985339 220593631 /nfs/dbraw/zinc/59/36/31/220593631.db2.gz WKUJGMKVMTYUBF-UHFFFAOYSA-N 0 0 397.327 5.299 50 0 GKAARN COc1ccccc1OCCCCOc1cc(C)c(Br)cc1C ZINC000002985155 220593665 /nfs/dbraw/zinc/59/36/65/220593665.db2.gz JTCQPGHLATZNDY-UHFFFAOYSA-N 0 0 379.294 5.313 50 0 GKAARN CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002857133 220574704 /nfs/dbraw/zinc/57/47/04/220574704.db2.gz USMBOBZKFJMWFK-UHFFFAOYSA-N 0 0 395.911 5.935 50 0 GKAARN CCCCCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 ZINC000002857442 220575427 /nfs/dbraw/zinc/57/54/27/220575427.db2.gz MQTSHPYSNBSJAR-UHFFFAOYSA-N 0 0 379.485 5.147 50 0 GKAARN CCCSc1nnc2c(n1)O[C@@H](c1cc(C)ccc1C)Nc1ccccc1-2 ZINC000002911916 220582751 /nfs/dbraw/zinc/58/27/51/220582751.db2.gz BTDUVDZCDNUSOC-IBGZPJMESA-N 0 0 378.501 5.161 50 0 GKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(Cl)=C\c1ccccc1 ZINC000002921491 220583319 /nfs/dbraw/zinc/58/33/19/220583319.db2.gz XTWOTDWAQWFBEW-CPNJWEJPSA-N 0 0 396.273 5.789 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)Nc1ccccc1-2 ZINC000002919742 220583575 /nfs/dbraw/zinc/58/35/75/220583575.db2.gz HWQPEXVVMJVXPW-IBGZPJMESA-N 0 0 378.501 5.242 50 0 GKAARN O=C(CC(CC(=O)OCc1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000002917988 220583850 /nfs/dbraw/zinc/58/38/50/220583850.db2.gz CPKOBIVKHNFWFL-UHFFFAOYSA-N 0 0 388.463 5.037 50 0 GKAARN Cc1ccc(NC(=S)N([C@@H](C)c2cccs2)C2CCCCC2)c(Cl)c1 ZINC000002943860 220586225 /nfs/dbraw/zinc/58/62/25/220586225.db2.gz KULIALZENUUKKM-HNNXBMFYSA-N 0 0 393.021 6.803 50 0 GKAARN O=C1CS[C@@H](c2ccccc2C(F)(F)F)N1c1cc(Cl)cc(Cl)c1 ZINC000002949727 220587179 /nfs/dbraw/zinc/58/71/79/220587179.db2.gz LUKDKJITLFJZQY-HNNXBMFYSA-N 0 0 392.229 5.791 50 0 GKAARN CCCC1CCC(c2ccc(-c3nc(-c4ccccc4Cl)no3)cc2)CC1 ZINC000002945405 220587433 /nfs/dbraw/zinc/58/74/33/220587433.db2.gz UKWNMMCZONSVHD-UHFFFAOYSA-N 0 0 380.919 7.131 50 0 GKAARN CCOc1ccc(Sc2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1 ZINC000002948462 220587583 /nfs/dbraw/zinc/58/75/83/220587583.db2.gz HENLJWUMSLNYAT-UHFFFAOYSA-N 0 0 392.524 5.457 50 0 GKAARN C[C@@H](c1cccs1)N(C(=S)Nc1ccccc1Cl)C1CCCCC1 ZINC000002953765 220588044 /nfs/dbraw/zinc/58/80/44/220588044.db2.gz PIYOPWZBKSTXLH-AWEZNQCLSA-N 0 0 378.994 6.494 50 0 GKAARN Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000002976945 220589966 /nfs/dbraw/zinc/58/99/66/220589966.db2.gz WAGQVHJLZGQKNJ-JOCHJYFZSA-N 0 0 375.899 5.902 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1C1CCCCC1 ZINC000002970116 220590575 /nfs/dbraw/zinc/59/05/75/220590575.db2.gz ZNZDGWYVCRDPKQ-UHFFFAOYSA-N 0 0 384.932 5.847 50 0 GKAARN CCOc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)c(C)s3)c(=O)oc21 ZINC000002964178 220590888 /nfs/dbraw/zinc/59/08/88/220590888.db2.gz NULGAGDWAFNPAT-UHFFFAOYSA-N 0 0 397.883 5.944 50 0 GKAARN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccs1 ZINC000002980084 220591691 /nfs/dbraw/zinc/59/16/91/220591691.db2.gz WTNXINCEYWHPTQ-UHFFFAOYSA-N 0 0 399.269 5.571 50 0 GKAARN Cc1c(Cl)ccc(OCCOCCn2c3ccccc3c3ccccc32)c1C ZINC000002993242 220593091 /nfs/dbraw/zinc/59/30/91/220593091.db2.gz REPPREPNTKOBPF-UHFFFAOYSA-N 0 0 393.914 6.160 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 ZINC000002997647 220595547 /nfs/dbraw/zinc/59/55/47/220595547.db2.gz PKSKATDDLUCJDY-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccc(C(F)(F)F)c1 ZINC000003017216 220596028 /nfs/dbraw/zinc/59/60/28/220596028.db2.gz WEFKUEHFVPDKAR-AUWJEWJLSA-N 0 0 386.156 5.357 50 0 GKAARN Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccccc3C)C2=O)c(C)c1 ZINC000003259802 220617481 /nfs/dbraw/zinc/61/74/81/220617481.db2.gz KIYCOVQQCXGZRE-RCCKNPSSSA-N 0 0 382.463 5.252 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(Br)cc3)ccc21 ZINC000003067836 220600844 /nfs/dbraw/zinc/60/08/44/220600844.db2.gz GNEIFLIGCZJYPP-UHFFFAOYSA-N 0 0 393.284 5.829 50 0 GKAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2c(Cl)cccc2Cl)cc1 ZINC000003059555 220601424 /nfs/dbraw/zinc/60/14/24/220601424.db2.gz QLCXVJYBJMSLNX-UHFFFAOYSA-N 0 0 397.349 6.636 50 0 GKAARN CC(=O)c1cccc(NC(=O)Oc2ccc(C(C)(C)C)cc2Br)c1 ZINC000003086136 220603205 /nfs/dbraw/zinc/60/32/05/220603205.db2.gz KGCPQIFBFWYMJW-UHFFFAOYSA-N 0 0 390.277 5.560 50 0 GKAARN O=C(Nc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000003068125 220603799 /nfs/dbraw/zinc/60/37/99/220603799.db2.gz PLRRHLFUXZHAPS-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN COc1ccc(C(=O)C[C@@H](Sc2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000003119104 220604947 /nfs/dbraw/zinc/60/49/47/220604947.db2.gz CAALFDGIYOXDLM-RUZDIDTESA-N 0 0 390.548 6.925 50 0 GKAARN O=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003109643 220605387 /nfs/dbraw/zinc/60/53/87/220605387.db2.gz GHVMOCRZHJGQIW-CQSZACIVSA-N 0 0 395.138 5.558 50 0 GKAARN CCc1ccc(N[C@H](CC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000003170716 220607278 /nfs/dbraw/zinc/60/72/78/220607278.db2.gz FLJZLNKBAHGBNX-XMMPIXPASA-N 0 0 389.495 5.692 50 0 GKAARN CCOC(=O)c1sc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C ZINC000003215893 220610471 /nfs/dbraw/zinc/61/04/71/220610471.db2.gz PHSTTZSLBCHUHE-UHFFFAOYSA-N 0 0 381.453 5.278 50 0 GKAARN Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000003251038 220615105 /nfs/dbraw/zinc/61/51/05/220615105.db2.gz WLQICGFBTPAVRQ-UHFFFAOYSA-N 0 0 393.870 5.419 50 0 GKAARN COc1ccc(-c2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C)cc1 ZINC000003330407 220628164 /nfs/dbraw/zinc/62/81/64/220628164.db2.gz YIQUPNXDCOCBJZ-UHFFFAOYSA-N 0 0 392.402 5.398 50 0 GKAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2cccnc2)cc1 ZINC000003356442 220632390 /nfs/dbraw/zinc/63/23/90/220632390.db2.gz WNYFRBXNDCNHEA-UHFFFAOYSA-N 0 0 385.492 5.362 50 0 GKAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc(C4CCCCC4)cc3)cc2C1 ZINC000003385422 220638253 /nfs/dbraw/zinc/63/82/53/220638253.db2.gz NYEXLKWBSVHSCK-MRXNPFEDSA-N 0 0 396.552 5.960 50 0 GKAARN O=C(CNc1ccc2ccccc2c1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003399503 220639214 /nfs/dbraw/zinc/63/92/14/220639214.db2.gz XGWGFHPCBPMAJR-UHFFFAOYSA-N 0 0 378.781 5.563 50 0 GKAARN CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000003308179 220625896 /nfs/dbraw/zinc/62/58/96/220625896.db2.gz XXAFUEXHQRFGRM-UHFFFAOYSA-N 0 0 397.887 5.288 50 0 GKAARN C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003315959 220626626 /nfs/dbraw/zinc/62/66/26/220626626.db2.gz AGZJZYYKGFHLBL-VIFPVBQESA-N 0 0 388.092 5.195 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3n2CC(C)C)c(C)c1 ZINC000003316986 220626848 /nfs/dbraw/zinc/62/68/48/220626848.db2.gz DIRFSKZCNHGUQW-UHFFFAOYSA-N 0 0 381.545 5.348 50 0 GKAARN c1ccc(C(Sc2nnc(NC3CCCCC3)s2)c2ccccc2)cc1 ZINC000003318960 220627017 /nfs/dbraw/zinc/62/70/17/220627017.db2.gz VEPRRPFNWHMLCR-UHFFFAOYSA-N 0 0 381.570 6.164 50 0 GKAARN COc1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000003408938 220641142 /nfs/dbraw/zinc/64/11/42/220641142.db2.gz ULYLEVJAYIRJJH-UHFFFAOYSA-N 0 0 385.385 5.311 50 0 GKAARN CC(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Sc1ccc(Cl)cc1 ZINC000003587418 220658010 /nfs/dbraw/zinc/65/80/10/220658010.db2.gz DRIUGDQSOGULQV-UHFFFAOYSA-N 0 0 388.920 5.076 50 0 GKAARN Cc1cc(OCCn2cc(C(=O)C3CCCCC3)c3ccccc32)ccc1Cl ZINC000003655927 220663114 /nfs/dbraw/zinc/66/31/14/220663114.db2.gz FGKIDPUYRICUAA-UHFFFAOYSA-N 0 0 395.930 6.445 50 0 GKAARN Cc1ccc(CN(Cc2ccccn2)C(=S)Nc2c(C)cc(C)cc2C)cc1 ZINC000003665593 220664768 /nfs/dbraw/zinc/66/47/68/220664768.db2.gz CGLPVOHTWUCHQI-UHFFFAOYSA-N 0 0 389.568 5.714 50 0 GKAARN COc1cc2c(cc1NC(=O)CCc1c[nH]c3ccccc13)oc1ccccc12 ZINC000003671877 220664910 /nfs/dbraw/zinc/66/49/10/220664910.db2.gz QAVBANVBDZMLBX-UHFFFAOYSA-N 0 0 384.435 5.647 50 0 GKAARN C1CSC2=C(SC(=C3SC4=C(S3)SCCS4)S2)S1 ZINC000003852229 220666674 /nfs/dbraw/zinc/66/66/74/220666674.db2.gz LZJCVNLYDXCIBG-UHFFFAOYSA-N 0 0 384.710 6.286 50 0 GKAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000004034023 220673637 /nfs/dbraw/zinc/67/36/37/220673637.db2.gz DVWDGMDLIGVVPN-UHFFFAOYSA-N 0 0 393.446 5.644 50 0 GKAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(C(F)(F)F)c1 ZINC000004072457 220677012 /nfs/dbraw/zinc/67/70/12/220677012.db2.gz RBYLOIZBLGAHJG-UHFFFAOYSA-N 0 0 383.782 5.130 50 0 GKAARN C[C@H](c1ccco1)N(C(=O)c1sc2ccccc2c1Cl)c1ccccn1 ZINC000004134890 220684730 /nfs/dbraw/zinc/68/47/30/220684730.db2.gz MNIQJOXXAVZJTK-CYBMUJFWSA-N 0 0 382.872 5.951 50 0 GKAARN C[C@@H](c1ccco1)N(C(=O)c1sc2ccccc2c1Cl)c1ccccn1 ZINC000004134889 220685472 /nfs/dbraw/zinc/68/54/72/220685472.db2.gz MNIQJOXXAVZJTK-ZDUSSCGKSA-N 0 0 382.872 5.951 50 0 GKAARN Clc1ccc(C2=Nc3ccccc3S[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000004149302 220686870 /nfs/dbraw/zinc/68/68/70/220686870.db2.gz IPDWWDJQRIFBDS-HXUWFJFHSA-N 0 0 375.884 6.184 50 0 GKAARN Cc1ccccc1-n1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 ZINC000004145413 220686994 /nfs/dbraw/zinc/68/69/94/220686994.db2.gz LNHDZSCEZBXNQL-UHFFFAOYSA-N 0 0 399.878 5.921 50 0 GKAARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1Cc1cc2cccc(C)c2nc1Cl ZINC000004176786 220690640 /nfs/dbraw/zinc/69/06/40/220690640.db2.gz NUFXYURQMVUKEC-LJQANCHMSA-N 0 0 391.902 5.154 50 0 GKAARN COc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1OC ZINC000004199362 220693272 /nfs/dbraw/zinc/69/32/72/220693272.db2.gz QLOQCRHGXXPUPU-FQEVSTJZSA-N 0 0 395.886 5.783 50 0 GKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000004309614 220703394 /nfs/dbraw/zinc/70/33/94/220703394.db2.gz PYSRIEIFSXOLOL-UPVQGACJSA-N 0 0 388.898 6.199 50 0 GKAARN Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004309661 220703582 /nfs/dbraw/zinc/70/35/82/220703582.db2.gz POAOKVLBUMZPNR-WIOPSUGQSA-N 0 0 382.463 5.056 50 0 aggregator GKAARN Clc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)c(Cl)c1 ZINC000004326807 220706539 /nfs/dbraw/zinc/70/65/39/220706539.db2.gz GGWPYWMJALARAZ-UHFFFAOYSA-N 0 0 393.324 5.452 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000004323234 220706680 /nfs/dbraw/zinc/70/66/80/220706680.db2.gz IKLDTDUMYDTMML-UHFFFAOYSA-N 0 0 391.355 5.879 50 0 GKAARN Clc1ccccc1-c1nnc(SCc2ccccn2)n1-c1ccccc1 ZINC000004359049 220711272 /nfs/dbraw/zinc/71/12/72/220711272.db2.gz SXASJRODSWZUBX-UHFFFAOYSA-N 0 0 378.888 5.275 50 0 GKAARN CSc1ccccc1C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000004517421 220724246 /nfs/dbraw/zinc/72/42/46/220724246.db2.gz IATRDWANBCSRCB-UHFFFAOYSA-N 0 0 380.256 5.018 50 0 GKAARN C[C@H](NC(=O)c1cc(Br)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004520403 220725959 /nfs/dbraw/zinc/72/59/59/220725959.db2.gz DWCAEAAUUVGTIN-NZWMYCLXSA-N 0 0 396.756 5.437 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2cc3ccccc3nc2Cl)N1Cc1ccccc1 ZINC000004678036 220745094 /nfs/dbraw/zinc/74/50/94/220745094.db2.gz GKFSHCZDAJNVFX-HSZRJFAPSA-N 0 0 399.881 5.655 50 0 GKAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1sc2ccccc2c1Cl ZINC000004727322 220754648 /nfs/dbraw/zinc/75/46/48/220754648.db2.gz VHBLGBYOTSMDSP-UHFFFAOYSA-N 0 0 389.948 5.270 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)c1ccccc1NC(=O)C1CCCC1 ZINC000004727648 220754742 /nfs/dbraw/zinc/75/47/42/220754742.db2.gz LGFPWOBDOVNSAZ-UHFFFAOYSA-N 0 0 377.271 5.374 50 0 GKAARN Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c(C)c1 ZINC000004750004 220761682 /nfs/dbraw/zinc/76/16/82/220761682.db2.gz WAJKBQXGNWFCEG-UHFFFAOYSA-N 0 0 385.920 5.055 50 0 GKAARN CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000004800569 220765774 /nfs/dbraw/zinc/76/57/74/220765774.db2.gz ZRAKJJZDFPPMEX-UHFFFAOYSA-N 0 0 398.746 6.218 50 0 GKAARN CCOc1ccc(Br)cc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000004820431 220768904 /nfs/dbraw/zinc/76/89/04/220768904.db2.gz XXEJHJAJGDQSGG-UHFFFAOYSA-N 0 0 379.641 5.218 50 0 GKAARN CC(C)CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000004816844 220769111 /nfs/dbraw/zinc/76/91/11/220769111.db2.gz PCEZIBPFBYTVSP-VQTJNVASSA-N 0 0 394.906 5.045 50 0 GKAARN Cc1cccc(C2=N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)c1 ZINC000004860467 220779353 /nfs/dbraw/zinc/77/93/53/220779353.db2.gz VBPQBXSUMWZHDH-WQRHYEAKSA-N 0 0 398.245 5.906 50 0 GKAARN O=C1c2ccccc2[C@H](Nc2c(F)c(F)cc(F)c2F)N1Cc1ccccc1 ZINC000004960755 220799852 /nfs/dbraw/zinc/79/98/52/220799852.db2.gz ZLGZOCREVAUPTD-HXUWFJFHSA-N 0 0 386.348 5.010 50 0 GKAARN CCc1ccc(CNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1 ZINC000004958556 220799946 /nfs/dbraw/zinc/79/99/46/220799946.db2.gz WUYXAZZQCASTDI-UHFFFAOYSA-N 0 0 378.903 5.259 50 0 GKAARN Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 ZINC000004969916 220801901 /nfs/dbraw/zinc/80/19/01/220801901.db2.gz OEGDQJFIMOOOOX-UHFFFAOYSA-N 0 0 391.518 6.847 50 0 GKAARN Cc1ccc(CCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1 ZINC000004958617 220800292 /nfs/dbraw/zinc/80/02/92/220800292.db2.gz FFDAXLVVNOSRRB-UHFFFAOYSA-N 0 0 378.903 5.048 50 0 GKAARN Cc1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1Cl ZINC000004906971 220787808 /nfs/dbraw/zinc/78/78/08/220787808.db2.gz NILXVORWFWCDSJ-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN Cc1ccccc1NC(=S)N(Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000004911903 220789396 /nfs/dbraw/zinc/78/93/96/220789396.db2.gz RNGNQGJAADVRHJ-UHFFFAOYSA-N 0 0 377.557 6.008 50 0 GKAARN Cc1cccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCCC2)c1 ZINC000004912646 220789499 /nfs/dbraw/zinc/78/94/99/220789499.db2.gz XFFRXDHFBJQFOJ-UHFFFAOYSA-N 0 0 391.584 6.018 50 0 GKAARN CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000004910510 220789596 /nfs/dbraw/zinc/78/95/96/220789596.db2.gz VXBVGXWSFRQPKH-MRXNPFEDSA-N 0 0 387.907 5.626 50 0 GKAARN CCn1cc(CN(C(=S)Nc2cccc(Cl)c2C)C(C)C)c2ccccc21 ZINC000004913399 220789858 /nfs/dbraw/zinc/78/98/58/220789858.db2.gz XGNKZTXZFBXEHL-UHFFFAOYSA-N 0 0 399.991 6.230 50 0 GKAARN Cc1ccc([C@H](CC(=O)NCc2ccco2)c2ccc(OC(C)C)cc2)cc1 ZINC000004933607 220794890 /nfs/dbraw/zinc/79/48/90/220794890.db2.gz JURVIZJDXIEMTH-QHCPKHFHSA-N 0 0 377.484 5.214 50 0 GKAARN CCOc1ccccc1NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938233 220795274 /nfs/dbraw/zinc/79/52/74/220795274.db2.gz BFHAKWQTEVIFID-UHFFFAOYSA-N 0 0 382.872 5.754 50 0 GKAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938393 220795831 /nfs/dbraw/zinc/79/58/31/220795831.db2.gz QWSWCTCHPBDEJT-QGZVFWFLSA-N 0 0 392.911 5.910 50 0 GKAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3cccc(Cl)c3)sc21 ZINC000005022487 220812743 /nfs/dbraw/zinc/81/27/43/220812743.db2.gz BGCXEWRUDZYDAA-UHFFFAOYSA-N 0 0 385.851 5.347 50 0 GKAARN COc1cccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccccc32)c1 ZINC000004970274 220803260 /nfs/dbraw/zinc/80/32/60/220803260.db2.gz DCSLVEBZXRUBAW-UHFFFAOYSA-N 0 0 385.854 5.903 50 0 GKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1 ZINC000005035550 220817406 /nfs/dbraw/zinc/81/74/06/220817406.db2.gz WICLHHXBFCLAKK-UHFFFAOYSA-N 0 0 388.398 5.385 50 0 GKAARN CC(C)CSc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1 ZINC000005047086 220818437 /nfs/dbraw/zinc/81/84/37/220818437.db2.gz YIFIVMSTNQNDJK-UHFFFAOYSA-N 0 0 392.549 6.450 50 0 GKAARN Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2Cl)cc1 ZINC000005073999 220826565 /nfs/dbraw/zinc/82/65/65/220826565.db2.gz MGXNAEZPAPPGJA-OAQYLSRUSA-N 0 0 385.269 6.488 50 0 GKAARN COc1ccccc1-c1nc2cc(NC(=O)c3ccccc3Cl)ccc2o1 ZINC000005125360 220833672 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O=C(Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1)c1ccccc1F ZINC000008626906 221047423 /nfs/dbraw/zinc/04/74/23/221047423.db2.gz PQEZVMPWBLWHTG-UHFFFAOYSA-N 0 0 391.833 5.584 50 0 GKAARN Cc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c(C)c1 ZINC000008611904 221047652 /nfs/dbraw/zinc/04/76/52/221047652.db2.gz UJLODFOFUOLECQ-UHFFFAOYSA-N 0 0 381.781 5.903 50 0 GKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 ZINC000008656891 221048933 /nfs/dbraw/zinc/04/89/33/221048933.db2.gz QZBUBLGUQQSALP-NRFANRHFSA-N 0 0 395.506 5.222 50 0 GKAARN Clc1cccc(-c2nnc3sc(Cc4cccc5ccccc54)nn32)c1 ZINC000008706345 221050520 /nfs/dbraw/zinc/05/05/20/221050520.db2.gz AWGGRRPRSCIVAN-UHFFFAOYSA-N 0 0 376.872 5.250 50 0 GKAARN O=c1[nH]c(-c2ccc(OCc3ccccc3)cc2)nc2sc3c(c21)CCCC3 ZINC000008711263 221051724 /nfs/dbraw/zinc/05/17/24/221051724.db2.gz LRILKYHLODIIHH-UHFFFAOYSA-N 0 0 388.492 5.109 50 0 GKAARN COc1ccc(CN(C(=O)c2ccc(COc3ccccc3)cc2)C2CC2)cc1 ZINC000008727049 221052886 /nfs/dbraw/zinc/05/28/86/221052886.db2.gz 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Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)c1 ZINC000009660121 221088367 /nfs/dbraw/zinc/08/83/67/221088367.db2.gz YKUCOROULKWWKU-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(C)c(C)c4)c(C)s3)n2)cc1 ZINC000009683088 221088387 /nfs/dbraw/zinc/08/83/87/221088387.db2.gz HWKYJMTVKZYPQW-UHFFFAOYSA-N 0 0 392.549 6.534 50 0 GKAARN CCOc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 ZINC000009683067 221089121 /nfs/dbraw/zinc/08/91/21/221089121.db2.gz NFGGOWGYKPBEBS-UHFFFAOYSA-N 0 0 378.522 6.308 50 0 GKAARN Cc1ccccc1N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000009683266 221089144 /nfs/dbraw/zinc/08/91/44/221089144.db2.gz VSKAKAWELYJBQI-FQEVSTJZSA-N 0 0 375.859 5.900 50 0 GKAARN CCOc1ccc(-c2csc(-c3nc(-c4cccc(Cl)c4)cs3)n2)cc1 ZINC000009683044 221089309 /nfs/dbraw/zinc/08/93/09/221089309.db2.gz DUTUFVVBNNQKTF-UHFFFAOYSA-N 0 0 398.940 6.653 50 0 GKAARN Cc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000009723017 221089703 /nfs/dbraw/zinc/08/97/03/221089703.db2.gz 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/nfs/dbraw/zinc/09/85/91/221098591.db2.gz CZRXXFSJCJTYIU-UHFFFAOYSA-N 0 0 376.456 5.020 50 0 GKAARN O=C(c1ccc(-c2cccc3ccccc32)s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000010289679 221100012 /nfs/dbraw/zinc/10/00/12/221100012.db2.gz MPOCQNTUTHYIBY-OAHLLOKOSA-N 0 0 389.442 5.983 50 0 GKAARN O=C(c1cccs1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011813964 221125728 /nfs/dbraw/zinc/12/57/28/221125728.db2.gz AULYLHNSIAOXBE-SFHVURJKSA-N 0 0 391.492 5.276 50 0 GKAARN Cc1cc(OCc2ccc(Br)cc2Cl)c2c(C)cc(=O)oc2c1 ZINC000011865383 221133229 /nfs/dbraw/zinc/13/32/29/221133229.db2.gz DIEYNUSCLIBWOC-UHFFFAOYSA-N 0 0 393.664 5.405 50 0 GKAARN Cc1ccc2c(-c3oc4ccccc4c3NC(=O)c3ccco3)cc(=O)oc2c1C ZINC000011865175 221133541 /nfs/dbraw/zinc/13/35/41/221133541.db2.gz OOKLDDVCFKTTJL-UHFFFAOYSA-N 0 0 399.402 5.668 50 0 GKAARN O=C([C@H]1CC=CCC1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000011873623 221133631 /nfs/dbraw/zinc/13/36/31/221133631.db2.gz PYAODQKUQVWJMZ-NRFANRHFSA-N 0 0 398.506 5.096 50 0 GKAARN Cc1nnc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)s1 ZINC000011215218 221112748 /nfs/dbraw/zinc/11/27/48/221112748.db2.gz MYPMSXJJCZOQJA-UHFFFAOYSA-N 0 0 399.472 5.032 50 0 GKAARN CCc1ccccc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000011249822 221112947 /nfs/dbraw/zinc/11/29/47/221112947.db2.gz QKROSXIQUJUOPZ-UHFFFAOYSA-N 0 0 375.403 5.152 50 0 GKAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3cc(F)ccc3C)c12 ZINC000011247439 221113209 /nfs/dbraw/zinc/11/32/09/221113209.db2.gz SMOJIQHHZYAGKS-UHFFFAOYSA-N 0 0 379.366 5.037 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)c1occc1COc1ccccc1 ZINC000011338183 221114114 /nfs/dbraw/zinc/11/41/14/221114114.db2.gz JPCUNUOLXFCMHP-UHFFFAOYSA-N 0 0 386.245 5.182 50 0 GKAARN Cc1nc(COc2ccc(/C=C/C(=O)Nc3c(C)cccc3C)cc2)cs1 ZINC000011479628 221115807 /nfs/dbraw/zinc/11/58/07/221115807.db2.gz MHNYXLCNXQTHNO-FMIVXFBMSA-N 0 0 378.497 5.299 50 0 GKAARN COCCNc1oc2c(c1-c1ccc(OC(C)C)cc1)c(=O)oc1ccccc21 ZINC000011614570 221118462 /nfs/dbraw/zinc/11/84/62/221118462.db2.gz LODIKMXJGIOCIT-UHFFFAOYSA-N 0 0 393.439 5.052 50 0 GKAARN O=C(C1CCCCC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000011662225 221118697 /nfs/dbraw/zinc/11/86/97/221118697.db2.gz QLIUWORDMXIOSH-HSZRJFAPSA-N 0 0 376.475 5.361 50 0 GKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000011689988 221121112 /nfs/dbraw/zinc/12/11/12/221121112.db2.gz KKWDRVXVOAAILN-UHFFFAOYSA-N 0 0 397.496 5.373 50 0 GKAARN CSc1ccc(-c2nc(CN3CCCC[C@@H]3c3ccccn3)c(C)o2)cc1 ZINC000011938485 221139105 /nfs/dbraw/zinc/13/91/05/221139105.db2.gz JOEKFLCLAPXXOA-OAQYLSRUSA-N 0 0 379.529 5.494 50 0 GKAARN FC(F)(F)c1ccc(-c2noc(CN3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000012053677 221145757 /nfs/dbraw/zinc/14/57/57/221145757.db2.gz BAAHZFJVWKPFIK-UHFFFAOYSA-N 0 0 385.389 5.045 50 0 GKAARN Cc1c([C@@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)cnn1-c1ccccc1 ZINC000012072347 221147080 /nfs/dbraw/zinc/14/70/80/221147080.db2.gz RBTGTTMFEHDTAK-MRXNPFEDSA-N 0 0 387.439 5.057 50 0 GKAARN CCOc1ccccc1-c1nc(CN(C)[C@H](C)c2cccc(OC)c2)c(C)o1 ZINC000012072426 221147149 /nfs/dbraw/zinc/14/71/49/221147149.db2.gz QESCBEPMSLQQRQ-MRXNPFEDSA-N 0 0 380.488 5.250 50 0 GKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Br)cc1 ZINC000011914835 221135607 /nfs/dbraw/zinc/13/56/07/221135607.db2.gz XGRZWYXCFKRYOS-UHFFFAOYSA-N 0 0 386.314 5.666 50 0 GKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000011914488 221136042 /nfs/dbraw/zinc/13/60/42/221136042.db2.gz NCDGXIFTFQHUFB-UHFFFAOYSA-N 0 0 389.889 5.535 50 0 GKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1C ZINC000011914715 221136147 /nfs/dbraw/zinc/13/61/47/221136147.db2.gz UACDBLVKXPSSST-KRWDZBQOSA-N 0 0 386.451 5.518 50 0 GKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)Cc1ccccc1 ZINC000011916502 221136187 /nfs/dbraw/zinc/13/61/87/221136187.db2.gz LLHYYSRXBVOBOE-UHFFFAOYSA-N 0 0 392.842 5.431 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000011914708 221136237 /nfs/dbraw/zinc/13/62/37/221136237.db2.gz DQWFPIBMWPUQBD-AWEZNQCLSA-N 0 0 392.455 5.508 50 0 GKAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000011916454 221136411 /nfs/dbraw/zinc/13/64/11/221136411.db2.gz HOGPNFGLINXZDB-UHFFFAOYSA-N 0 0 398.462 5.506 50 0 GKAARN CC(C)COc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 ZINC000011914988 221136624 /nfs/dbraw/zinc/13/66/24/221136624.db2.gz AAFSRUNVBILXJH-UHFFFAOYSA-N 0 0 378.447 5.103 50 0 GKAARN O=C(c1cc2ccccc2s1)N1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000012298505 221176416 /nfs/dbraw/zinc/17/64/16/221176416.db2.gz QMRDKPVFAGOZSG-XMMPIXPASA-N 0 0 393.552 5.139 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)Cn2c3ccccc3nc2SC(C)C)cc1 ZINC000012311808 221179687 /nfs/dbraw/zinc/17/96/87/221179687.db2.gz LDAQBABVLMCOPM-INIZCTEOSA-N 0 0 381.545 5.689 50 0 GKAARN CCC(CC)C(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000012322237 221181380 /nfs/dbraw/zinc/18/13/80/221181380.db2.gz CXLJFMKYONWBLR-QHCPKHFHSA-N 0 0 386.499 5.052 50 0 GKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012196322 221166646 /nfs/dbraw/zinc/16/66/46/221166646.db2.gz SVPQGXZTUGEPQE-NQIIRXRSSA-N 0 0 396.899 5.652 50 0 GKAARN O=C(CSc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccn1 ZINC000012249798 221173162 /nfs/dbraw/zinc/17/31/62/221173162.db2.gz XWYOSTDWJOQJLB-UHFFFAOYSA-N 0 0 382.488 5.786 50 0 GKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012275988 221174191 /nfs/dbraw/zinc/17/41/91/221174191.db2.gz HGMSWLATFIDTLF-ILBGXUMGSA-N 0 0 384.479 5.718 50 0 GKAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)c3ccccc32)c1 ZINC000012290825 221174429 /nfs/dbraw/zinc/17/44/29/221174429.db2.gz UZQLYCNZKGGVKH-UHFFFAOYSA-N 0 0 390.302 5.020 50 0 GKAARN O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000012274563 221174507 /nfs/dbraw/zinc/17/45/07/221174507.db2.gz FPOOAIINBZWDQS-DEOSSOPVSA-N 0 0 393.442 5.546 50 0 GKAARN CCn1ncc(/C=C2/c3ccccc3N(c3c(Cl)cccc3Cl)C2=O)c1C ZINC000012413638 221190655 /nfs/dbraw/zinc/19/06/55/221190655.db2.gz HXALKEHDBXTOCZ-WJDWOHSUSA-N 0 0 398.293 5.737 50 0 GKAARN CCOc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(F)cc1 ZINC000012411603 221190675 /nfs/dbraw/zinc/19/06/75/221190675.db2.gz YZGJFXPXHSAYNC-KRWDZBQOSA-N 0 0 397.471 5.339 50 0 GKAARN O=C(c1ccsc1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012430833 221191819 /nfs/dbraw/zinc/19/18/19/221191819.db2.gz ORRMGRRTABDYTM-SFHVURJKSA-N 0 0 391.492 5.276 50 0 GKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(F)c2)cc1 ZINC000012420658 221192296 /nfs/dbraw/zinc/19/22/96/221192296.db2.gz INSVWROLWVFFJE-RUZDIDTESA-N 0 0 386.470 5.463 50 0 biogenic,in-vitro GKAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C[C@@H](C)Nc3ccccc32)cc1 ZINC000012437078 221193615 /nfs/dbraw/zinc/19/36/15/221193615.db2.gz MBPXMMDTCJXAEM-JPYJTQIMSA-N 0 0 392.524 5.136 50 0 GKAARN Cc1csc([C@H](C)N(C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)n1 ZINC000012433416 221193823 /nfs/dbraw/zinc/19/38/23/221193823.db2.gz KWQSMZPITYUKES-KRWDZBQOSA-N 0 0 388.540 5.702 50 0 GKAARN CCCCc1nc2cc(C(=O)N[C@@H](c3ccncc3)c3ccccc3C)ccc2o1 ZINC000012434940 221194175 /nfs/dbraw/zinc/19/41/75/221194175.db2.gz QSKFJPIXGLUITN-DEOSSOPVSA-N 0 0 399.494 5.393 50 0 GKAARN CSc1cccc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000012467884 221198024 /nfs/dbraw/zinc/19/80/24/221198024.db2.gz BEPZONPODXVLQS-UHFFFAOYSA-N 0 0 376.506 5.938 50 0 GKAARN Cc1ccc(-c2nc(Cn3c4ccccc4nc3-c3cscn3)cs2)cc1 ZINC000012462048 221198244 /nfs/dbraw/zinc/19/82/44/221198244.db2.gz LFKDSGRWFAQBKO-UHFFFAOYSA-N 0 0 388.521 5.640 50 0 GKAARN COC(=O)/C=C/CSc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1 ZINC000012462168 221198926 /nfs/dbraw/zinc/19/89/26/221198926.db2.gz AXSFVBJPKVUPEY-ONEGZZNKSA-N 0 0 398.915 5.322 50 0 GKAARN CCC(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(CC)oc2c1C ZINC000012510534 221199816 /nfs/dbraw/zinc/19/98/16/221199816.db2.gz WEYNIQSFQCQMTP-UHFFFAOYSA-N 0 0 387.435 5.194 50 0 GKAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000012524969 221201091 /nfs/dbraw/zinc/20/10/91/221201091.db2.gz FJJRZARCPQAMMB-UHFFFAOYSA-N 0 0 382.891 5.267 50 0 GKAARN FC(F)(F)c1cnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(Cl)c1 ZINC000012525731 221201332 /nfs/dbraw/zinc/20/13/32/221201332.db2.gz WPUVPMTTXOXWGD-NSHDSACASA-N 0 0 380.801 5.014 50 0 GKAARN COc1ccc2cc3cc(C(=O)OCc4cccc5ccccc54)sc3nc2c1 ZINC000012551722 221204859 /nfs/dbraw/zinc/20/48/59/221204859.db2.gz MECCAAOQHHUUAO-UHFFFAOYSA-N 0 0 399.471 5.968 50 0 GKAARN O=C(Nc1ccc(Oc2nc(C(F)(F)F)nc3ccccc32)cc1)c1ccco1 ZINC000012569248 221208156 /nfs/dbraw/zinc/20/81/56/221208156.db2.gz WJUQVERXTCRVMA-UHFFFAOYSA-N 0 0 399.328 5.286 50 0 GKAARN Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000012564837 221208882 /nfs/dbraw/zinc/20/88/82/221208882.db2.gz UTLPQWIDGIDOKG-UHFFFAOYSA-N 0 0 394.784 5.497 50 0 GKAARN Cc1c(C)n(CCC2=CCCCC2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012372559 221186500 /nfs/dbraw/zinc/18/65/00/221186500.db2.gz IZJBGFVCDZCPGT-UHFFFAOYSA-N 0 0 392.952 5.064 50 0 GKAARN COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1cccc(Cl)c1 ZINC000012371676 221186554 /nfs/dbraw/zinc/18/65/54/221186554.db2.gz RHKCDCOOOQJSRN-INIZCTEOSA-N 0 0 399.899 5.463 50 0 GKAARN Clc1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000012375606 221186765 /nfs/dbraw/zinc/18/67/65/221186765.db2.gz QOPHPDIWPZOXKH-UHFFFAOYSA-N 0 0 383.278 5.970 50 0 GKAARN CCOc1ccc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)cc1 ZINC000012385625 221187535 /nfs/dbraw/zinc/18/75/35/221187535.db2.gz GYLGIHHWJKGKGS-IBGZPJMESA-N 0 0 383.517 5.232 50 0 GKAARN Cc1ncsc1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C(C)(C)C ZINC000012386636 221187553 /nfs/dbraw/zinc/18/75/53/221187553.db2.gz VYYYWLICGIYQLX-OAQYLSRUSA-N 0 0 381.545 5.038 50 0 GKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1ccnn1Cc1cccs1 ZINC000012389247 221187850 /nfs/dbraw/zinc/18/78/50/221187850.db2.gz HJYAIKYKIUGYPN-UHFFFAOYSA-N 0 0 385.876 5.262 50 0 GKAARN FC(F)Oc1ccc(-c2n[nH]c(-c3ccc(OC(F)F)cc3)c2Cl)cc1 ZINC000012394949 221188519 /nfs/dbraw/zinc/18/85/19/221188519.db2.gz RMSJCKCNAMGOTI-UHFFFAOYSA-N 0 0 386.732 5.600 50 0 GKAARN COc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1C ZINC000012408518 221189578 /nfs/dbraw/zinc/18/95/78/221189578.db2.gz KGSCEVLLDOZVQJ-UHFFFAOYSA-N 0 0 389.480 5.236 50 0 GKAARN Cc1c(C(=O)Nc2ccc(N3CCCCCC3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012586651 221211907 /nfs/dbraw/zinc/21/19/07/221211907.db2.gz LXCYBJIIPZSDDK-UHFFFAOYSA-N 0 0 393.531 5.111 50 0 GKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1nc2ccccc2s1 ZINC000012616567 221214903 /nfs/dbraw/zinc/21/49/03/221214903.db2.gz HMARAEBFEIRDHD-UHFFFAOYSA-N 0 0 385.901 5.634 50 0 GKAARN COc1ccc(-n2c3ccccc3nc2SCc2cn3ccsc3n2)cc1 ZINC000012620477 221215399 /nfs/dbraw/zinc/21/53/99/221215399.db2.gz XKEYDAGSEYBBDF-UHFFFAOYSA-N 0 0 392.509 5.036 50 0 GKAARN CC(C)[C@H](Nc1c(Nc2ccccc2)c2ccccc2[nH]c1=O)c1ccccc1 ZINC000012651048 221217005 /nfs/dbraw/zinc/21/70/05/221217005.db2.gz ULIUVVIMZKGTCZ-QFIPXVFZSA-N 0 0 383.495 6.081 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c1 ZINC000012735076 221222400 /nfs/dbraw/zinc/22/24/00/221222400.db2.gz OEZZHESDFJBCRY-UHFFFAOYSA-N 0 0 395.462 5.053 50 0 GKAARN O=C(Cc1csc(-c2ccco2)n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012735807 221222496 /nfs/dbraw/zinc/22/24/96/221222496.db2.gz KSZJQHOFBYYYGW-LJQANCHMSA-N 0 0 398.484 5.052 50 0 GKAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cccc(Cl)c3C)cc2)cs1 ZINC000012586402 221211665 /nfs/dbraw/zinc/21/16/65/221211665.db2.gz VBENQWNZNCQEOZ-CYBMUJFWSA-N 0 0 385.920 5.519 50 0 GKAARN COc1ccccc1Oc1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC000012750598 221224778 /nfs/dbraw/zinc/22/47/78/221224778.db2.gz ORFVKBWTANAOAT-UHFFFAOYSA-N 0 0 383.517 5.095 50 0 GKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)NC4CCCCCC4)cc3)o2)c1 ZINC000012801741 221234122 /nfs/dbraw/zinc/23/41/22/221234122.db2.gz YVPDERMMSXMIJD-UHFFFAOYSA-N 0 0 375.472 5.165 50 0 GKAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000012756461 221226972 /nfs/dbraw/zinc/22/69/72/221226972.db2.gz JIKDZSXIKVYDTO-UHFFFAOYSA-N 0 0 384.570 5.370 50 0 GKAARN CCCOc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)ccc1OC ZINC000012907152 221243666 /nfs/dbraw/zinc/24/36/66/221243666.db2.gz SYAGEKCLCYBMME-ZROIWOOFSA-N 0 0 376.865 5.332 50 0 GKAARN Cc1noc(C)c1CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000012904131 221244042 /nfs/dbraw/zinc/24/40/42/221244042.db2.gz CKLAAYVXGYTCTQ-UHFFFAOYSA-N 0 0 389.282 5.374 50 0 GKAARN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000012910844 221244765 /nfs/dbraw/zinc/24/47/65/221244765.db2.gz ONZLINIAAUYELO-OAQYLSRUSA-N 0 0 393.508 5.070 50 0 GKAARN Cc1cc(CSc2ccccc2C(=O)Nc2nc3c(s2)CCCCC3)on1 ZINC000012908900 221244897 /nfs/dbraw/zinc/24/48/97/221244897.db2.gz GVRFXEGYLLKBKJ-UHFFFAOYSA-N 0 0 399.541 5.253 50 0 GKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3CC(C)C)co2)cc1 ZINC000012807585 221234750 /nfs/dbraw/zinc/23/47/50/221234750.db2.gz YGGWHLGJFFYJQJ-UHFFFAOYSA-N 0 0 394.500 5.450 50 0 GKAARN CN(Cn1nc(C2CC2)n(C2CC2)c1=S)C(c1ccccc1)c1ccccc1 ZINC000012809102 221234986 /nfs/dbraw/zinc/23/49/86/221234986.db2.gz KBMDCUOMZDORJX-UHFFFAOYSA-N 0 0 390.556 5.305 50 0 GKAARN CCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1OCC ZINC000012807026 221235260 /nfs/dbraw/zinc/23/52/60/221235260.db2.gz RWHNODPAWKTNRJ-HNNXBMFYSA-N 0 0 392.499 5.342 50 0 GKAARN COc1ccc(OC)c(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1 ZINC000012824583 221237062 /nfs/dbraw/zinc/23/70/62/221237062.db2.gz IRAVJPHNTOCRPX-UHFFFAOYSA-N 0 0 382.485 5.203 50 0 GKAARN O=C(/C=C/c1cccc2cccnc12)OCc1csc(-c2ccc(F)cc2)n1 ZINC000012823940 221237298 /nfs/dbraw/zinc/23/72/98/221237298.db2.gz BBRQPFICHPOSEJ-DHZHZOJOSA-N 0 0 390.439 5.254 50 0 GKAARN Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(C)c1 ZINC000012820863 221237319 /nfs/dbraw/zinc/23/73/19/221237319.db2.gz MSHNJFCECVLKOD-UHFFFAOYSA-N 0 0 381.479 5.468 50 0 GKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000012819562 221237423 /nfs/dbraw/zinc/23/74/23/221237423.db2.gz JZGOLDNXOIMAPG-QGZVFWFLSA-N 0 0 380.513 5.172 50 0 GKAARN CC(=O)Nc1cc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)ccc1F ZINC000012824139 221237454 /nfs/dbraw/zinc/23/74/54/221237454.db2.gz HGQGKFCMQMPQNP-UHFFFAOYSA-N 0 0 397.475 5.283 50 0 GKAARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc2c(Cl)cccc12 ZINC000012856477 221238837 /nfs/dbraw/zinc/23/88/37/221238837.db2.gz VUYJAHTXOVQFSK-UHFFFAOYSA-N 0 0 398.853 5.479 50 0 GKAARN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000012859131 221239517 /nfs/dbraw/zinc/23/95/17/221239517.db2.gz CIFNKMDTKFCNJH-CQSZACIVSA-N 0 0 383.344 5.311 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@H](N[C@@H](C)c2cc3ccccc3o2)c2ccccc2)c1 ZINC000012859832 221239574 /nfs/dbraw/zinc/23/95/74/221239574.db2.gz NDELJZSXFOPTFI-UQBPGWFLSA-N 0 0 398.506 6.080 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(Br)cc1F ZINC000012889871 221242413 /nfs/dbraw/zinc/24/24/13/221242413.db2.gz YLTBGMHTCHVGRJ-UHFFFAOYSA-N 0 0 397.294 5.334 50 0 GKAARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 ZINC000012893748 221242568 /nfs/dbraw/zinc/24/25/68/221242568.db2.gz QICWVOYUDOVKPX-ZDUSSCGKSA-N 0 0 389.282 5.458 50 0 GKAARN CCSc1nc(-c2ccccc2)c(NC(=O)[C@@H](C)Oc2ccccc2)s1 ZINC000012891183 221242722 /nfs/dbraw/zinc/24/27/22/221242722.db2.gz PKFMJEPCDXQHQB-CQSZACIVSA-N 0 0 384.526 5.328 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)c3ncccc23)sc2nc(C3CC3)nc(C)c12 ZINC000012916533 221246218 /nfs/dbraw/zinc/24/62/18/221246218.db2.gz FAEKKTZILXEGDZ-UHFFFAOYSA-N 0 0 388.496 5.294 50 0 GKAARN COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(F)cc3F)o2)cc1 ZINC000012915925 221246293 /nfs/dbraw/zinc/24/62/93/221246293.db2.gz LQXOKXIFHBFHFY-CQSZACIVSA-N 0 0 385.410 5.043 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012927731 221248369 /nfs/dbraw/zinc/24/83/69/221248369.db2.gz UMPWSQFVUVCRCQ-UHFFFAOYSA-N 0 0 378.472 5.219 50 0 GKAARN CC(C)[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1cccs1 ZINC000012943342 221249242 /nfs/dbraw/zinc/24/92/42/221249242.db2.gz HNJHDTJSZWZDNJ-LJQANCHMSA-N 0 0 382.533 5.078 50 0 GKAARN O=C(CSc1ccc2ccccc2n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000012970729 221250585 /nfs/dbraw/zinc/25/05/85/221250585.db2.gz VKVDNDFRGJKLJK-UHFFFAOYSA-N 0 0 398.531 5.556 50 0 GKAARN CC(=O)N(c1nc(CSc2nc(C)c(C)c(C)n2)cs1)c1cccc(C)c1 ZINC000012972603 221251476 /nfs/dbraw/zinc/25/14/76/221251476.db2.gz MPVJKTFRRDHBDQ-UHFFFAOYSA-N 0 0 398.557 5.144 50 0 GKAARN CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)o2)cc1 ZINC000012974285 221251604 /nfs/dbraw/zinc/25/16/04/221251604.db2.gz SCEHMAQCXQNBDY-CQSZACIVSA-N 0 0 396.826 5.231 50 0 GKAARN Cc1cc(C)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(Cl)c1 ZINC000012981102 221251951 /nfs/dbraw/zinc/25/19/51/221251951.db2.gz QXRWFSFIVZQBAC-UHFFFAOYSA-N 0 0 382.895 5.412 50 0 GKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(F)c1 ZINC000012988356 221253438 /nfs/dbraw/zinc/25/34/38/221253438.db2.gz CTLSLQQLHUPOMV-UHFFFAOYSA-N 0 0 376.840 5.075 50 0 GKAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012999630 221255182 /nfs/dbraw/zinc/25/51/82/221255182.db2.gz LQOKAUQDNGVKTI-AWEZNQCLSA-N 0 0 390.430 5.335 50 0 GKAARN COc1ccccc1-c1cc(COc2ccc(C(=O)c3ccccc3)cc2)on1 ZINC000013002484 221255435 /nfs/dbraw/zinc/25/54/35/221255435.db2.gz CCCOPVGVQJKIHA-UHFFFAOYSA-N 0 0 385.419 5.160 50 0 GKAARN Cc1ccc(-c2nc(CS[C@@H](C)C(=O)NCCc3ccccc3)cs2)cc1 ZINC000012908008 221245254 /nfs/dbraw/zinc/24/52/54/221245254.db2.gz ANAKHYGMTGJTGP-KRWDZBQOSA-N 0 0 396.581 5.099 50 0 GKAARN S=C(Nc1ccn(Cc2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000013330484 221265018 /nfs/dbraw/zinc/26/50/18/221265018.db2.gz PIJCQMDUGPYPEL-UHFFFAOYSA-N 0 0 377.300 5.047 50 0 GKAARN CSc1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c1 ZINC000013331492 221265260 /nfs/dbraw/zinc/26/52/60/221265260.db2.gz BCDJFAZXDITJQN-UHFFFAOYSA-N 0 0 380.517 5.223 50 0 GKAARN O=C(NCCc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320430 221265383 /nfs/dbraw/zinc/26/53/83/221265383.db2.gz OGNMWVARSSUKPH-UHFFFAOYSA-N 0 0 377.193 5.376 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1F ZINC000013346945 221266105 /nfs/dbraw/zinc/26/61/05/221266105.db2.gz JKEIKGNZLRJZOB-UHFFFAOYSA-N 0 0 391.471 6.363 50 0 GKAARN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)oc2c1 ZINC000013362243 221266582 /nfs/dbraw/zinc/26/65/82/221266582.db2.gz CFPGHIXVEGZJBQ-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1ccc(F)cc1 ZINC000013368924 221266735 /nfs/dbraw/zinc/26/67/35/221266735.db2.gz OAVIMCINOOFAJF-UHFFFAOYSA-N 0 0 379.822 5.135 50 0 GKAARN CC(C)(C)c1ccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000013367484 221266739 /nfs/dbraw/zinc/26/67/39/221266739.db2.gz FOPLTHJUYFIHIU-UHFFFAOYSA-N 0 0 390.508 5.300 50 0 GKAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc3ccccc32)o1 ZINC000013362267 221266811 /nfs/dbraw/zinc/26/68/11/221266811.db2.gz YQAJBBPHWBOGMA-ZDUSSCGKSA-N 0 0 385.489 5.101 50 0 GKAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2)o1 ZINC000013010514 221256962 /nfs/dbraw/zinc/25/69/62/221256962.db2.gz NSRJEEMPBZVJPH-GOSISDBHSA-N 0 0 397.478 5.545 50 0 GKAARN O=C(Nc1cccc2cccnc21)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000013015844 221258440 /nfs/dbraw/zinc/25/84/40/221258440.db2.gz AMBKVMFIFZQYPF-UHFFFAOYSA-N 0 0 396.475 5.401 50 0 GKAARN CC(C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013095295 221260326 /nfs/dbraw/zinc/26/03/26/221260326.db2.gz DXNIJQPGDKQYNI-CQSZACIVSA-N 0 0 379.331 5.576 50 0 GKAARN Cc1ccc(-n2cnn(CN(C)Cc3ccc(Cl)cc3)c2=S)cc1Cl ZINC000013073537 221260601 /nfs/dbraw/zinc/26/06/01/221260601.db2.gz JZLQFEPWYVWDPB-UHFFFAOYSA-N 0 0 393.343 5.108 50 0 GKAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000013096144 221260643 /nfs/dbraw/zinc/26/06/43/221260643.db2.gz HMUIUPFUYWTPOG-KRWDZBQOSA-N 0 0 399.943 5.440 50 0 GKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccc(C)c(C)c1 ZINC000013331501 221264679 /nfs/dbraw/zinc/26/46/79/221264679.db2.gz FRWZWSKNKYVVII-UHFFFAOYSA-N 0 0 382.895 5.462 50 0 GKAARN CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325470 221264764 /nfs/dbraw/zinc/26/47/64/221264764.db2.gz JZWLPMNQWZECRW-UHFFFAOYSA-N 0 0 378.328 5.873 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000013331428 221264779 /nfs/dbraw/zinc/26/47/79/221264779.db2.gz PQELYXMJLOCUHO-UHFFFAOYSA-N 0 0 398.894 5.163 50 0 GKAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(C)n2)c1 ZINC000013595312 221277220 /nfs/dbraw/zinc/27/72/20/221277220.db2.gz NFTWXSCLAVACGT-VWLOTQADSA-N 0 0 383.495 5.028 50 0 GKAARN COc1cc2c(cc1NC(=S)Nc1cccc3ccccc31)oc1ccccc12 ZINC000013479293 221269465 /nfs/dbraw/zinc/26/94/65/221269465.db2.gz HNEJUHOFYMZIQN-UHFFFAOYSA-N 0 0 398.487 6.557 50 0 GKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000013510778 221270420 /nfs/dbraw/zinc/27/04/20/221270420.db2.gz CEVIKXAWIKDHGV-IBGZPJMESA-N 0 0 399.469 5.053 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1ccccc1)Cc1cccnc1 ZINC000013573303 221274487 /nfs/dbraw/zinc/27/44/87/221274487.db2.gz VNUWSWCNVLOFJX-UHFFFAOYSA-N 0 0 381.932 5.443 50 0 GKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000013759215 221288593 /nfs/dbraw/zinc/28/85/93/221288593.db2.gz UZQWUMPGZRKTFV-GGAORHGYSA-N 0 0 390.870 5.591 50 0 GKAARN Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000013881942 221292981 /nfs/dbraw/zinc/29/29/81/221292981.db2.gz NJCKWZGDGNSPHK-ZEEVCSHPSA-N 0 0 393.468 5.074 50 0 GKAARN COc1ccc(N2CC3C(=NC2=S)c2ccccc2CC32CCCCC2)cc1 ZINC000013943357 221293164 /nfs/dbraw/zinc/29/31/64/221293164.db2.gz BJPYLTUUEPHQBJ-UHFFFAOYSA-N 0 0 390.552 5.308 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)SC1=Nc2ccccc2[C@H]2CC=NN12 ZINC000013988027 221294369 /nfs/dbraw/zinc/29/43/69/221294369.db2.gz AVKUQMKVLNMLAM-IFXJQAMLSA-N 0 0 388.496 5.215 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000013945988 221294642 /nfs/dbraw/zinc/29/46/42/221294642.db2.gz HPKCKGDDKFLBFA-UHFFFAOYSA-N 0 0 381.884 5.302 50 0 GKAARN CN(c1ccccc1)c1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000013945832 221294818 /nfs/dbraw/zinc/29/48/18/221294818.db2.gz WJUZQLNBNPGQGX-UHFFFAOYSA-N 0 0 387.508 5.298 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000014181289 221302012 /nfs/dbraw/zinc/30/20/12/221302012.db2.gz CWJGKPMVDOKURV-CYBMUJFWSA-N 0 0 388.389 5.089 50 0 GKAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000014138645 221301300 /nfs/dbraw/zinc/30/13/00/221301300.db2.gz CKEHGPADVLNHHV-SNVBAGLBSA-N 0 0 387.896 5.047 50 0 GKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000014583009 221312248 /nfs/dbraw/zinc/31/22/48/221312248.db2.gz NVCDCOCEOIPDRM-UHFFFAOYSA-N 0 0 393.739 5.678 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000014232942 221306016 /nfs/dbraw/zinc/30/60/16/221306016.db2.gz SXOUICUVNHQBAY-UHFFFAOYSA-N 0 0 389.851 5.040 50 0 GKAARN Cc1nc(COc2ccccc2/C=C/C(=O)N[C@H](C)c2ccccc2C)cs1 ZINC000014417352 221309997 /nfs/dbraw/zinc/30/99/97/221309997.db2.gz LONPSZSMYFFDDY-GZKZCVOOSA-N 0 0 392.524 5.230 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000014463152 221311119 /nfs/dbraw/zinc/31/11/19/221311119.db2.gz SDWPVZOTHZKWQG-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1Oc1ccccc1Cl ZINC000014702188 221314287 /nfs/dbraw/zinc/31/42/87/221314287.db2.gz BYZPVYTYXIDSTI-UHFFFAOYSA-N 0 0 395.842 5.432 50 0 GKAARN CCOCc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000014676038 221314480 /nfs/dbraw/zinc/31/44/80/221314480.db2.gz OAHPGWUBWPRSDS-CYBMUJFWSA-N 0 0 386.831 5.051 50 0 GKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000014794233 221318089 /nfs/dbraw/zinc/31/80/89/221318089.db2.gz MRHVOVDKHMBFRV-UHFFFAOYSA-N 0 0 385.822 5.922 50 0 GKAARN COc1ccc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc1OC ZINC000015106433 221332544 /nfs/dbraw/zinc/33/25/44/221332544.db2.gz PWNDFEXBXGJYJS-GOEBONIOSA-N 0 0 399.556 5.390 50 0 GKAARN Cc1oc(-c2cccc3ccccc32)nc1CN1CCC[C@@H]1c1nccs1 ZINC000015079511 221332662 /nfs/dbraw/zinc/33/26/62/221332662.db2.gz NFZCRVVLIRSDPR-HXUWFJFHSA-N 0 0 375.497 5.597 50 0 GKAARN CCn1c2ccccc2c2cc(N[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc21 ZINC000015468981 221335765 /nfs/dbraw/zinc/33/57/65/221335765.db2.gz NAAQLKMBYAWDSR-KRWDZBQOSA-N 0 0 396.494 6.346 50 0 GKAARN COc1cccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)c1OC1CCCC1 ZINC000015018084 221326937 /nfs/dbraw/zinc/32/69/37/221326937.db2.gz FNGJOEGZGGRXJT-TZYHBYERSA-N 0 0 379.500 5.569 50 0 GKAARN Cc1nc2cc(NC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)ccc2o1 ZINC000015626155 221337712 /nfs/dbraw/zinc/33/77/12/221337712.db2.gz HEYMDUQQKBZYJT-UHFFFAOYSA-N 0 0 377.469 5.058 50 0 GKAARN CCN(C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2)c1ccccc1C ZINC000015677690 221340444 /nfs/dbraw/zinc/34/04/44/221340444.db2.gz DZLHPDINJJRJKJ-UHFFFAOYSA-N 0 0 387.527 5.560 50 0 GKAARN CC1CCC(NC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)CC1 ZINC000015678353 221340473 /nfs/dbraw/zinc/34/04/73/221340473.db2.gz FGXNEHSLSZJKBA-UHFFFAOYSA-N 0 0 392.518 5.456 50 0 GKAARN CCc1cccc(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721575 221340982 /nfs/dbraw/zinc/34/09/82/221340982.db2.gz KUNFXJHRYCBAQK-XMMPIXPASA-N 0 0 398.506 5.283 50 0 GKAARN Cc1ccccc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 ZINC000015821213 221346132 /nfs/dbraw/zinc/34/61/32/221346132.db2.gz URJJVRIJPVABBC-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN Cc1ccc2c(Cl)c(C(=O)NCc3csc(-c4ccccc4)n3)sc2c1 ZINC000015832437 221346545 /nfs/dbraw/zinc/34/65/45/221346545.db2.gz BAYNOPXYSISIPZ-UHFFFAOYSA-N 0 0 398.940 5.917 50 0 GKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000015832447 221346668 /nfs/dbraw/zinc/34/66/68/221346668.db2.gz PZRBOUIPVKPUMC-UHFFFAOYSA-N 0 0 396.899 5.757 50 0 GKAARN CCCCOc1ccc(NC(=O)c2ccccc2Br)c2cccnc12 ZINC000015841066 221347420 /nfs/dbraw/zinc/34/74/20/221347420.db2.gz UAYCETKVIQDMCG-UHFFFAOYSA-N 0 0 399.288 5.429 50 0 GKAARN CCCCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c2cccnc12 ZINC000015841176 221347693 /nfs/dbraw/zinc/34/76/93/221347693.db2.gz RJDLYMZXWZIGIN-UHFFFAOYSA-N 0 0 378.516 5.569 50 0 GKAARN CCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccnc12 ZINC000015840993 221347723 /nfs/dbraw/zinc/34/77/23/221347723.db2.gz JCFYZDZEEYLHAZ-AWEZNQCLSA-N 0 0 384.863 5.083 50 0 GKAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 ZINC000015975047 221353385 /nfs/dbraw/zinc/35/33/85/221353385.db2.gz JSHYBOMEUUMAJA-OAHLLOKOSA-N 0 0 395.500 5.113 50 0 GKAARN Cc1ccc(-c2cc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc(C)n2)cc1 ZINC000015859121 221348756 /nfs/dbraw/zinc/34/87/56/221348756.db2.gz WXEWFZNHTIGHHY-UHFFFAOYSA-N 0 0 377.797 6.176 50 0 GKAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1sc2ccccc2c1Cl ZINC000015859872 221348789 /nfs/dbraw/zinc/34/87/89/221348789.db2.gz MKFVQXJFIXUUCP-OAHLLOKOSA-N 0 0 388.920 5.105 50 0 GKAARN Cn1c2cn(-c3ccc(Cl)cc3)c(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000015858704 221349223 /nfs/dbraw/zinc/34/92/23/221349223.db2.gz JAPBJWWUSLPXSN-UHFFFAOYSA-N 0 0 399.881 5.440 50 0 GKAARN Cc1cc(C)cc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)c1 ZINC000015858693 221349239 /nfs/dbraw/zinc/34/92/39/221349239.db2.gz DBCQKXGZLMUFGV-UHFFFAOYSA-N 0 0 393.490 5.404 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccs2)cc1 ZINC000015866845 221350168 /nfs/dbraw/zinc/35/01/68/221350168.db2.gz UZNRAZSMOFKRBB-GOSISDBHSA-N 0 0 377.575 5.352 50 0 GKAARN Cc1ccc(C)c(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c1 ZINC000015881495 221351008 /nfs/dbraw/zinc/35/10/08/221351008.db2.gz FTAHACNCAFBNQR-UHFFFAOYSA-N 0 0 388.471 5.070 50 0 GKAARN CSc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000015881874 221351047 /nfs/dbraw/zinc/35/10/47/221351047.db2.gz WVSHVLZHHFMHBV-UHFFFAOYSA-N 0 0 390.533 6.246 50 0 GKAARN CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000015880561 221351152 /nfs/dbraw/zinc/35/11/52/221351152.db2.gz YKRXGUPZHGDHBJ-UHFFFAOYSA-N 0 0 394.500 5.092 50 0 GKAARN CSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000015881875 221351530 /nfs/dbraw/zinc/35/15/30/221351530.db2.gz VDZYPEBJDJMJBT-UHFFFAOYSA-N 0 0 376.506 5.938 50 0 GKAARN COC(=O)c1ccc(CSc2nc3ccccc3n2-c2ccc(C)cc2)cc1 ZINC000015911616 221352784 /nfs/dbraw/zinc/35/27/84/221352784.db2.gz BFRIYQFDZKXNFU-UHFFFAOYSA-N 0 0 388.492 5.413 50 0 GKAARN CCOC(=O)c1cc(-c2ccc(/C=C(/c3ccccc3)[N+](=O)[O-])o2)ccc1Cl ZINC000016183685 221358905 /nfs/dbraw/zinc/35/89/05/221358905.db2.gz CRFHUTAHKOZLNP-UYRXBGFRSA-N 0 0 397.814 5.552 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1C ZINC000016362390 221360454 /nfs/dbraw/zinc/36/04/54/221360454.db2.gz NZSSCGMNRBEXGM-UHFFFAOYSA-N 0 0 388.492 5.841 50 0 GKAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1(C)C ZINC000016349711 221360947 /nfs/dbraw/zinc/36/09/47/221360947.db2.gz UVVRXLMEGLGJFO-PZJWPPBQSA-N 0 0 376.500 5.424 50 0 GKAARN O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000016450009 221363801 /nfs/dbraw/zinc/36/38/01/221363801.db2.gz AQHVRBUODDRPPN-UHFFFAOYSA-N 0 0 399.849 5.046 50 0 GKAARN Clc1ccc(CCN[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000016493558 221365203 /nfs/dbraw/zinc/36/52/03/221365203.db2.gz FGMGQCXEBWGMNI-NRFANRHFSA-N 0 0 389.886 5.312 50 0 GKAARN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2s1 ZINC000016609964 221366725 /nfs/dbraw/zinc/36/67/25/221366725.db2.gz NGZYUBZQCLOKQL-UHFFFAOYSA-N 0 0 375.453 5.050 50 0 GKAARN CSc1cccc2c(C)cc(N3CCN(c4cc(C)ccc4C)CC3)nc12 ZINC000016667650 221368344 /nfs/dbraw/zinc/36/83/44/221368344.db2.gz RFCDTZGMSDEUMC-UHFFFAOYSA-N 0 0 377.557 5.209 50 0 GKAARN C[C@@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC000016712849 221368797 /nfs/dbraw/zinc/36/87/97/221368797.db2.gz LLMLUPSAGHTUME-KDURUIRLSA-N 0 0 382.511 5.570 50 0 GKAARN FC(F)(F)c1ccc(Cl)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000017081777 221379960 /nfs/dbraw/zinc/37/99/60/221379960.db2.gz KOFCHSYLPLGXPA-UHFFFAOYSA-N 0 0 399.652 6.475 50 0 GKAARN O=c1[nH]c(-c2ccc(Br)cc2)nc2sc3c(c21)CCCCCC3 ZINC000017150078 221380062 /nfs/dbraw/zinc/38/00/62/221380062.db2.gz WUGGQWZJEDIFND-UHFFFAOYSA-N 0 0 389.318 5.073 50 0 GKAARN O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)Nc1ccccc1F ZINC000017180568 221381408 /nfs/dbraw/zinc/38/14/08/221381408.db2.gz VEAYDEHZQAJYRC-UHFFFAOYSA-N 0 0 394.884 5.267 50 0 GKAARN CC[C@H](C)Nc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017268814 221382431 /nfs/dbraw/zinc/38/24/31/221382431.db2.gz AOUDTQXOGQEFHE-AWEZNQCLSA-N 0 0 392.894 5.423 50 0 GKAARN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccccc1Br ZINC000017312626 221383415 /nfs/dbraw/zinc/38/34/15/221383415.db2.gz RKCBLUKJONOPFF-OAHLLOKOSA-N 0 0 398.348 5.162 50 0 GKAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000017369642 221384088 /nfs/dbraw/zinc/38/40/88/221384088.db2.gz QLXOTQKHLIIUDJ-QGZVFWFLSA-N 0 0 379.378 5.425 50 0 GKAARN O=C(COc1ccccc1)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 ZINC000017440360 221384199 /nfs/dbraw/zinc/38/41/99/221384199.db2.gz RVFUZMFDLHVXAZ-UHFFFAOYSA-N 0 0 393.446 5.401 50 0 aggregator GKAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000017440704 221384256 /nfs/dbraw/zinc/38/42/56/221384256.db2.gz ALUCHPXHTQGWSD-UHFFFAOYSA-N 0 0 395.871 5.274 50 0 GKAARN O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1cc(F)ccc1F ZINC000016841014 221372572 /nfs/dbraw/zinc/37/25/72/221372572.db2.gz XLKDMFNJBCVYKW-UHFFFAOYSA-N 0 0 380.803 5.004 50 0 GKAARN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000017013029 221375289 /nfs/dbraw/zinc/37/52/89/221375289.db2.gz XRRZVWDHFGPVTQ-UHFFFAOYSA-N 0 0 375.476 5.257 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(/C=C/c3ccccc3Cl)s2)cc1C ZINC000017057333 221375945 /nfs/dbraw/zinc/37/59/45/221375945.db2.gz DIXPSMFXWHFHGE-CSKARUKUSA-N 0 0 384.892 5.623 50 0 GKAARN CCOC(=O)CCn1nc(-c2ccc(C)c(C)c2)cc1-c1ccc(C)c(C)c1 ZINC000017077040 221376201 /nfs/dbraw/zinc/37/62/01/221376201.db2.gz MUXBXDFYVMCHPW-UHFFFAOYSA-N 0 0 376.500 5.404 50 0 GKAARN Cc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042420 221376867 /nfs/dbraw/zinc/37/68/67/221376867.db2.gz AMNRFVQRXKGKJQ-SFHVURJKSA-N 0 0 398.514 5.104 50 0 GKAARN S=C1N=NC(CSCc2ccccc2)N1c1cc(Cl)ccc1Cl ZINC000017078050 221377758 /nfs/dbraw/zinc/37/77/58/221377758.db2.gz CXIYHLHDRFGDKQ-UHFFFAOYSA-N 0 0 382.341 5.296 50 0 GKAARN Cc1cccc(CSc2nnc(COc3ccc(C(C)(C)C)cc3)n2C)c1 ZINC000017078009 221377799 /nfs/dbraw/zinc/37/77/99/221377799.db2.gz LKCWJUJRIMTXNR-UHFFFAOYSA-N 0 0 381.545 5.292 50 0 GKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc(OC)cc1 ZINC000017081547 221378268 /nfs/dbraw/zinc/37/82/68/221378268.db2.gz CEXBDZYOTHADAD-UHFFFAOYSA-N 0 0 398.509 5.019 50 0 GKAARN Fc1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1Cl ZINC000017080507 221378463 /nfs/dbraw/zinc/37/84/63/221378463.db2.gz CXLLJQOGOAFYNG-UHFFFAOYSA-N 0 0 394.096 5.704 50 0 GKAARN CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000017080910 221378695 /nfs/dbraw/zinc/37/86/95/221378695.db2.gz ONJVXJVMGWXDHT-SFHVURJKSA-N 0 0 395.572 6.162 50 0 GKAARN Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C ZINC000018051657 221386679 /nfs/dbraw/zinc/38/66/79/221386679.db2.gz HTZRVRPNQUWXLU-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN Cc1ccccc1NC=C1C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 ZINC000018118897 221387139 /nfs/dbraw/zinc/38/71/39/221387139.db2.gz MYWDXUHQMLBOPF-NBVRZTHBSA-N 0 0 388.854 5.288 50 0 GKAARN CN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000018107782 221387568 /nfs/dbraw/zinc/38/75/68/221387568.db2.gz XMIHUVPUNPJNJE-UHFFFAOYSA-N 0 0 379.106 5.090 50 0 GKAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018154185 221388987 /nfs/dbraw/zinc/38/89/87/221388987.db2.gz SQQVUPWFLQNMHA-CJRSTVEYSA-N 0 0 397.449 5.069 50 0 GKAARN CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H](C)CCC ZINC000018180251 221389235 /nfs/dbraw/zinc/38/92/35/221389235.db2.gz ANRQTMZEWFHDRY-UGSOOPFHSA-N 0 0 389.521 5.163 50 0 GKAARN COc1ccc(Nc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000018265661 221390825 /nfs/dbraw/zinc/39/08/25/221390825.db2.gz WARXUMMNHCDWMB-UHFFFAOYSA-N 0 0 376.843 5.601 50 0 GKAARN O=C(Nc1nnc(-c2ccccc2F)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000018276830 221391876 /nfs/dbraw/zinc/39/18/76/221391876.db2.gz SWMLXJXBWDQOCY-UHFFFAOYSA-N 0 0 383.235 5.295 50 0 GKAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Cl)s1 ZINC000018936139 221392717 /nfs/dbraw/zinc/39/27/17/221392717.db2.gz JNRFGLNCYMXVNI-UHFFFAOYSA-N 0 0 377.724 5.169 50 0 GKAARN CCCCOP(=O)(OCCCC)[C@H](NCc1ccccc1)c1ccccc1 ZINC000019781609 221452341 /nfs/dbraw/zinc/45/23/41/221452341.db2.gz WOQSNAYZFTXHFP-QFIPXVFZSA-N 0 0 389.476 6.302 50 0 GKAARN CCCCCCOc1ccccc1CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000019738595 221448322 /nfs/dbraw/zinc/44/83/22/221448322.db2.gz GDUQTXFLPJUQFE-QHCPKHFHSA-N 0 0 383.532 5.816 50 0 GKAARN CC[C@H](CNc1ccccc1OCCOc1ccccc1)Oc1ccc(C)cc1 ZINC000019738443 221448486 /nfs/dbraw/zinc/44/84/86/221448486.db2.gz BFEWOYCUOJYRIF-OAQYLSRUSA-N 0 0 391.511 5.722 50 0 GKAARN CCOCCOc1cccc(CNc2ccc(OCCC3CCCCC3)cc2)c1 ZINC000019738571 221449034 /nfs/dbraw/zinc/44/90/34/221449034.db2.gz CWPYXRDAHLDLPO-UHFFFAOYSA-N 0 0 397.559 6.063 50 0 GKAARN COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000019893482 221460870 /nfs/dbraw/zinc/46/08/70/221460870.db2.gz MWXOWQDECWUVOZ-UTKZUKDTSA-N 0 0 380.831 5.184 50 0 GKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000020611186 221504855 /nfs/dbraw/zinc/50/48/55/221504855.db2.gz BLUDJMOPEBHYOJ-UHFFFAOYSA-N 0 0 390.874 5.197 50 0 GKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1ccccc1)CO2 ZINC000020610133 221505590 /nfs/dbraw/zinc/50/55/90/221505590.db2.gz QZBZAKLBNMWZBC-UHFFFAOYSA-N 0 0 397.474 5.163 50 0 biogenic GKAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000020531990 221498333 /nfs/dbraw/zinc/49/83/33/221498333.db2.gz XIBSTCORXHDQCH-GOSISDBHSA-N 0 0 388.536 5.507 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)C1=Cc2sc3c(c2CS1)CC[C@@H](C)C3 ZINC000020557658 221499751 /nfs/dbraw/zinc/49/97/51/221499751.db2.gz LPKRVPLWRJLPRA-LLVKDONJSA-N 0 0 389.973 6.061 50 0 GKAARN COc1ccc2cc3cc(C(=O)N[C@H](C)c4ccccc4)sc3nc2c1Cl ZINC000021087664 221525844 /nfs/dbraw/zinc/52/58/44/221525844.db2.gz SOCBLSWRDNUSOL-GFCCVEGCSA-N 0 0 396.899 5.603 50 0 GKAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(F)cc2Cl)cc1 ZINC000021105501 221526563 /nfs/dbraw/zinc/52/65/63/221526563.db2.gz QKEAXOAEGYGTOP-HXUWFJFHSA-N 0 0 397.837 5.044 50 0 GKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1F ZINC000020852783 221514225 /nfs/dbraw/zinc/51/42/25/221514225.db2.gz GJZPQZIMNINYGI-HXUWFJFHSA-N 0 0 377.394 5.525 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931334 221519351 /nfs/dbraw/zinc/51/93/51/221519351.db2.gz DLLIWTXECVRSQV-HNNXBMFYSA-N 0 0 383.582 5.352 50 0 GKAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 ZINC000046078669 132426059 /nfs/dbraw/zinc/42/60/59/132426059.db2.gz JUZHZAPRJBZZHZ-UHFFFAOYSA-N 0 0 384.479 5.149 50 0 GKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(C)c4C)ccc32)c1 ZINC000046078673 132426064 /nfs/dbraw/zinc/42/60/64/132426064.db2.gz VCOBWVNGFOSMEK-UHFFFAOYSA-N 0 0 398.506 5.457 50 0 GKAARN O=C(Nc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078865 132426178 /nfs/dbraw/zinc/42/61/78/132426178.db2.gz JMCJEKOJALWKBF-UHFFFAOYSA-N 0 0 390.870 5.185 50 0 GKAARN O=C(Nc1ccc(N2CCc3sccc3C2)cc1)C1(c2ccc(F)cc2)CC1 ZINC000060304348 136155744 /nfs/dbraw/zinc/15/57/44/136155744.db2.gz UOVKCAWTBLYLRT-UHFFFAOYSA-N 0 0 392.499 5.120 50 0 GKAARN Cc1ccc2nc(C(=O)Nc3ccc(F)c(F)c3)cc(N3CCCCC3)c2c1 ZINC000064568332 136156859 /nfs/dbraw/zinc/15/68/59/136156859.db2.gz AICVQCXRZXOUAN-UHFFFAOYSA-N 0 0 381.426 5.064 50 0 GKAARN Cc1ccc2nc(C(=O)NCc3ccc(Cl)cc3)cc(N3CCCCC3)c2c1 ZINC000064568341 136156996 /nfs/dbraw/zinc/15/69/96/136156996.db2.gz FXQHFKHTYYZWJE-UHFFFAOYSA-N 0 0 393.918 5.117 50 0 GKAARN Cc1ccc(CN2CCN(C(=O)Nc3cc(C)ccc3C)c3cccnc32)cc1 ZINC000064929587 136158262 /nfs/dbraw/zinc/15/82/62/136158262.db2.gz DOXSYHGSOJDMTA-UHFFFAOYSA-N 0 0 386.499 5.066 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929353 136158275 /nfs/dbraw/zinc/15/82/75/136158275.db2.gz MEAJQXREZCIMTL-UHFFFAOYSA-N 0 0 392.890 5.102 50 0 GKAARN CCc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)cc1 ZINC000065029736 136158910 /nfs/dbraw/zinc/15/89/10/136158910.db2.gz ZSFAOPGKXYUBDJ-UHFFFAOYSA-N 0 0 392.478 5.571 50 0 GKAARN Cc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)cc1C ZINC000065029740 136158993 /nfs/dbraw/zinc/15/89/93/136158993.db2.gz ZYQYKEFXTOZUBT-UHFFFAOYSA-N 0 0 392.478 5.625 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000065568009 136164184 /nfs/dbraw/zinc/16/41/84/136164184.db2.gz DOOBOOBMAWETNC-UHFFFAOYSA-N 0 0 384.479 5.553 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000103005043 136190530 /nfs/dbraw/zinc/19/05/30/136190530.db2.gz PSPXSEISRHGPQJ-HAHDFKILSA-N 0 0 396.490 5.560 50 0 GKAARN CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 ZINC000002059635 136193275 /nfs/dbraw/zinc/19/32/75/136193275.db2.gz NDOBFHPAKSDNIC-BXKMTCNYSA-N 0 0 386.495 5.980 50 0 GKAARN Cc1ccccc1N1COc2c(C)c3oc(=O)cc(-c4ccccc4)c3cc2C1 ZINC000002115781 136193303 /nfs/dbraw/zinc/19/33/03/136193303.db2.gz DBROWRAMHARJIM-UHFFFAOYSA-N 0 0 383.447 5.433 50 0 biogenic GKAARN CCCCc1ccc(N2COc3ccc4c(CCC)cc(=O)oc4c3C2)cc1 ZINC000002115865 136193313 /nfs/dbraw/zinc/19/33/13/136193313.db2.gz JQDITHQZLOTVSL-UHFFFAOYSA-N 0 0 377.484 5.445 50 0 biogenic GKAARN Cc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1F ZINC000002116988 136193356 /nfs/dbraw/zinc/19/33/56/136193356.db2.gz BLQOPCQOENLVLW-UHFFFAOYSA-N 0 0 387.410 5.264 50 0 biogenic GKAARN Cc1cc(C)cc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)c1 ZINC000002158621 136193358 /nfs/dbraw/zinc/19/33/58/136193358.db2.gz WEUXRXKAUYKAQS-UHFFFAOYSA-N 0 0 397.474 5.742 50 0 biogenic GKAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(Oc3ccccc3)cc2)CO1 ZINC000002159252 136193363 /nfs/dbraw/zinc/19/33/63/136193363.db2.gz VZUHOEOPQKZGTJ-UHFFFAOYSA-N 0 0 385.419 5.250 50 0 biogenic GKAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1nnc(C2CC2)s1 ZINC000002647047 136193396 /nfs/dbraw/zinc/19/33/96/136193396.db2.gz ZIHQQESOOAHJMT-UHFFFAOYSA-N 0 0 394.525 5.047 50 0 GKAARN Cc1ccc(-c2nnc(N3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000002888944 136193504 /nfs/dbraw/zinc/19/35/04/136193504.db2.gz JARFXEPZHNCENT-UHFFFAOYSA-N 0 0 393.534 6.064 50 0 GKAARN CCn1c2ccccc2c2cc(N[C@H](C)C(=O)N3CCCc4ccccc43)ccc21 ZINC000003354250 136193536 /nfs/dbraw/zinc/19/35/36/136193536.db2.gz VJRVSYMTNBKCJF-GOSISDBHSA-N 0 0 397.522 5.594 50 0 GKAARN CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003280606 136193607 /nfs/dbraw/zinc/19/36/07/136193607.db2.gz JTOOKYGFGGYKHR-HXUWFJFHSA-N 0 0 380.900 5.833 50 0 GKAARN CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000003280604 136193620 /nfs/dbraw/zinc/19/36/20/136193620.db2.gz JTOOKYGFGGYKHR-FQEVSTJZSA-N 0 0 380.900 5.833 50 0 GKAARN Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1N1CCCCC1=O ZINC000005441774 136194833 /nfs/dbraw/zinc/19/48/33/136194833.db2.gz BMXREKGCKTWDBR-UHFFFAOYSA-N 0 0 377.271 5.071 50 0 GKAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007002968 136195260 /nfs/dbraw/zinc/19/52/60/136195260.db2.gz YSGBKEPGVSFBEP-AWEZNQCLSA-N 0 0 392.330 5.423 50 0 GKAARN COc1c(Cl)cc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Cl ZINC000001116102 136196283 /nfs/dbraw/zinc/19/62/83/136196283.db2.gz TYQFVPWSHAYVMY-UHFFFAOYSA-N 0 0 393.314 5.491 50 0 GKAARN CCc1ccccc1NC=C1c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000103003973 136196575 /nfs/dbraw/zinc/19/65/75/136196575.db2.gz IKJMRWNXUUCPFP-XQNSMLJCSA-N 0 0 396.490 5.506 50 0 GKAARN CC(C)c1ccc(-c2nc(C(=O)N3CCSc4ccncc43)cs2)cc1 ZINC000175722859 136200321 /nfs/dbraw/zinc/20/03/21/136200321.db2.gz GLTQLUGRQUSVMK-UHFFFAOYSA-N 0 0 381.526 5.081 50 0 GKAARN COc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 ZINC000013574361 136201047 /nfs/dbraw/zinc/20/10/47/136201047.db2.gz CVAREQJTZCMDRJ-UHFFFAOYSA-N 0 0 392.480 5.216 50 0 GKAARN Clc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)c2c1 ZINC000022090934 136203445 /nfs/dbraw/zinc/20/34/45/136203445.db2.gz ZPXUXYIRQHODJU-UHFFFAOYSA-N 0 0 399.925 5.882 50 0 GKAARN C[C@]12CCC[C@@H]1[C@@H]1[C@H](OC(=O)c3ccccc3)C[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]1CC2 ZINC000257350492 209079988 /nfs/dbraw/zinc/07/99/88/209079988.db2.gz XUOUHDBVBHWSFC-HYJAXJMASA-N 0 0 396.571 5.616 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC/C2=C(\Br)CO ZINC000257348930 209079792 /nfs/dbraw/zinc/07/97/92/209079792.db2.gz KBGGDQJZJSJYGG-LUZZWYSGSA-N 0 0 397.397 5.031 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](OC(=O)c5ccco5)CC[C@]34C)[C@@H]1CCC2=O ZINC000257349030 209080222 /nfs/dbraw/zinc/08/02/22/209080222.db2.gz KYSVLWJXZYLYCR-KQAHGGQMSA-N 0 0 384.516 5.417 50 0 GKAARN C[C@H](CCCC(N)=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257347922 209080445 /nfs/dbraw/zinc/08/04/45/209080445.db2.gz YXJMBNZJWHFDLY-YACBLNFVSA-N 0 0 389.624 5.298 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350367 209080512 /nfs/dbraw/zinc/08/05/12/209080512.db2.gz WSSZZUWWCXSGKJ-BPFHQQDMSA-N 0 0 386.664 7.677 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4CCCC[C@@]4(C)[C@H]3CC[C@]21C ZINC000257348061 209080827 /nfs/dbraw/zinc/08/08/27/209080827.db2.gz AYPVMJMMFIKSHY-QVCFGDLGSA-N 0 0 388.680 7.469 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257355346 209081123 /nfs/dbraw/zinc/08/11/23/209081123.db2.gz AHWOEMBXZXGDBQ-UJQCMXHLSA-N 0 0 396.659 7.619 50 0 GKAARN COC1=Cc2ccc3c(c2CC1)CC[C@]1(C)[C@@H]3CC[C@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000257348597 209081153 /nfs/dbraw/zinc/08/11/53/209081153.db2.gz HGMNCWQJFNALQH-KKYWTPOSSA-N 0 0 394.643 7.775 50 0 GKAARN FC(F)(F)c1cnc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1 ZINC000263640031 209081813 /nfs/dbraw/zinc/08/18/13/209081813.db2.gz UIKRAKMIWFZDFD-UHFFFAOYSA-N 0 0 375.202 6.198 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)Oc1c(Cl)cc(Cl)cc1Cl ZINC000004794762 209083012 /nfs/dbraw/zinc/08/30/12/209083012.db2.gz DIRRTRVUUHXWGJ-UHFFFAOYSA-N 0 0 385.461 6.565 50 0 GKAARN CCCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)n1 ZINC000021525620 221532822 /nfs/dbraw/zinc/53/28/22/221532822.db2.gz AJDNPEJOIKPBQY-UHFFFAOYSA-N 0 0 375.472 5.338 50 0 GKAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)cc1C ZINC000021656580 221537660 /nfs/dbraw/zinc/53/76/60/221537660.db2.gz RMSSRFUBZIOEIQ-UHFFFAOYSA-N 0 0 387.508 5.534 50 0 GKAARN O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000022621710 221565425 /nfs/dbraw/zinc/56/54/25/221565425.db2.gz IBUBWFKWCPBAJI-UHFFFAOYSA-N 0 0 383.360 5.079 50 0 GKAARN CC(C)c1cc(C(C)C)n(C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)n1 ZINC000022622906 221565778 /nfs/dbraw/zinc/56/57/78/221565778.db2.gz PJBUDCNJPVAUGL-UHFFFAOYSA-N 0 0 391.918 5.400 50 0 GKAARN Cc1ccccc1CSCc1csc(Cc2ccc(F)cc2Cl)n1 ZINC000023304768 221590973 /nfs/dbraw/zinc/59/09/73/221590973.db2.gz GMFWZYAXSKOXOR-UHFFFAOYSA-N 0 0 377.937 6.268 50 0 GKAARN COc1ccc2c(c1)CCc1c-2noc1-c1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000023329513 221591541 /nfs/dbraw/zinc/59/15/41/221591541.db2.gz ZSUVDYRVEQIPOB-UHFFFAOYSA-N 0 0 390.483 5.409 50 0 GKAARN Cc1ccc(Cc2nc(CSc3c(F)c(F)cc(F)c3F)cs2)cc1 ZINC000023317726 221592068 /nfs/dbraw/zinc/59/20/68/221592068.db2.gz PAXVRWOLJVRIGZ-UHFFFAOYSA-N 0 0 383.435 5.891 50 0 GKAARN CCOc1ccccc1C(=O)Nc1cc(-c2onc3c2CCCC3)ccc1Cl ZINC000023325490 221592102 /nfs/dbraw/zinc/59/21/02/221592102.db2.gz BUYNWXRUIRANEH-UHFFFAOYSA-N 0 0 396.874 5.525 50 0 GKAARN Cc1ccc(-c2cc(NC(=O)CCc3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000023428697 221595893 /nfs/dbraw/zinc/59/58/93/221595893.db2.gz FGLRGQMAPGYZSJ-UHFFFAOYSA-N 0 0 381.479 5.419 50 0 GKAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(Cl)c1 ZINC000023532163 221599368 /nfs/dbraw/zinc/59/93/68/221599368.db2.gz WKBVZYAYCPYHPZ-UHFFFAOYSA-N 0 0 399.705 5.138 50 0 GKAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000026072240 221636444 /nfs/dbraw/zinc/63/64/44/221636444.db2.gz MLEZMCWTAKZUCC-AWEZNQCLSA-N 0 0 380.513 5.010 50 0 GKAARN c1nn2c(nc(-c3ccccc3)cc2NCc2ccccc2)c1-c1ccccc1 ZINC000027585906 221656475 /nfs/dbraw/zinc/65/64/75/221656475.db2.gz YKISZWRUPHRHOZ-UHFFFAOYSA-N 0 0 376.463 5.675 50 0 GKAARN CCc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027989102 221665658 /nfs/dbraw/zinc/66/56/58/221665658.db2.gz DFGNOOISMQGZAF-UHFFFAOYSA-N 0 0 394.902 5.218 50 0 GKAARN COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2cccnc12 ZINC000028404439 221677329 /nfs/dbraw/zinc/67/73/29/221677329.db2.gz CXYMSCMBMZUSIK-MRXNPFEDSA-N 0 0 378.472 5.081 50 0 GKAARN Cc1ccc2nc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)sc2c1 ZINC000028818171 221684449 /nfs/dbraw/zinc/68/44/49/221684449.db2.gz IQWPEOHQNPWAHF-UHFFFAOYSA-N 0 0 396.475 5.467 50 0 GKAARN Cc1cccc(Nc2nnc(S[C@H](C)c3nc(-c4ccco4)no3)s2)c1 ZINC000029738499 221696955 /nfs/dbraw/zinc/69/69/55/221696955.db2.gz TUSBUESTZHNPEG-LLVKDONJSA-N 0 0 385.474 5.086 50 0 GKAARN Cc1cccc(Cn2nccc2NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000030528323 221699593 /nfs/dbraw/zinc/69/95/93/221699593.db2.gz ORAOWLZABJLNNO-UHFFFAOYSA-N 0 0 381.479 5.010 50 0 GKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1cccc(Cl)c1 ZINC000032594128 221723912 /nfs/dbraw/zinc/72/39/12/221723912.db2.gz URPWVWBWGNDJTQ-UHFFFAOYSA-N 0 0 375.815 5.309 50 0 GKAARN Cc1sc2[nH]c(S[C@H](C)c3ccccc3)nc(=O)c2c1-c1ccccc1 ZINC000032739618 221730111 /nfs/dbraw/zinc/73/01/11/221730111.db2.gz HZMGJWNPHCGHDG-CYBMUJFWSA-N 0 0 378.522 5.813 50 0 GKAARN C[C@@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)C3CCCC3)cc2)C1=O ZINC000034734114 221802753 /nfs/dbraw/zinc/80/27/53/221802753.db2.gz ONSDBVWQBOIPNR-SFHVURJKSA-N 0 0 391.515 5.209 50 0 GKAARN CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000032850477 221741069 /nfs/dbraw/zinc/74/10/69/221741069.db2.gz VYAVBTJAELCYDL-KRWDZBQOSA-N 0 0 389.471 5.133 50 0 GKAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000032907568 221746816 /nfs/dbraw/zinc/74/68/16/221746816.db2.gz LTFQSAYFRONJHI-KRWDZBQOSA-N 0 0 380.513 5.016 50 0 GKAARN Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000033004040 221762254 /nfs/dbraw/zinc/76/22/54/221762254.db2.gz JLMBNVVNAHCVQS-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN O=C(CCc1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000033004052 221762540 /nfs/dbraw/zinc/76/25/40/221762540.db2.gz NYIKGBIJUYIRJT-UHFFFAOYSA-N 0 0 376.843 5.720 50 0 GKAARN Cc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C(C)(C)C ZINC000033018579 221764696 /nfs/dbraw/zinc/76/46/96/221764696.db2.gz HGSIHVCSMAMJPY-UHFFFAOYSA-N 0 0 396.922 5.003 50 0 GKAARN CC(C)(C)CC(=O)Nc1ccccc1N1CCCN(Cc2ccc(F)cc2)C1=O ZINC000034734848 221803613 /nfs/dbraw/zinc/80/36/13/221803613.db2.gz IYEDILVQNUBWBU-UHFFFAOYSA-N 0 0 397.494 5.033 50 0 GKAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1ccccc1F ZINC000033129054 221773977 /nfs/dbraw/zinc/77/39/77/221773977.db2.gz HAAHQYVUQPRCHT-UHFFFAOYSA-N 0 0 382.485 5.093 50 0 GKAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4ccccc4)c3)ncn2)cc1 ZINC000033261031 221779688 /nfs/dbraw/zinc/77/96/88/221779688.db2.gz DBAIUMBNFGTTEE-UHFFFAOYSA-N 0 0 394.478 5.126 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)c2c(C)sc3c4c([nH]c32)CCCCC4)cc1 ZINC000033280535 221783702 /nfs/dbraw/zinc/78/37/02/221783702.db2.gz SOBHBXUIAKETJS-UHFFFAOYSA-N 0 0 396.512 5.236 50 0 GKAARN CCOc1ccc(NC(=O)Nc2c(-c3cccc(C)c3)nc3ccccn32)cc1 ZINC000033312680 221787583 /nfs/dbraw/zinc/78/75/83/221787583.db2.gz FDKXZEHIGWHWQG-UHFFFAOYSA-N 0 0 386.455 5.352 50 0 GKAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1NCc1ccco1 ZINC000033757674 221795610 /nfs/dbraw/zinc/79/56/10/221795610.db2.gz RKAFITWLCMREGP-UHFFFAOYSA-N 0 0 390.464 5.372 50 0 GKAARN O=C(OCc1nc2ccccc2s1)/C(=C\c1cccs1)c1cccs1 ZINC000034695027 221801157 /nfs/dbraw/zinc/80/11/57/221801157.db2.gz QAFRUGRPQNRGSD-KAMYIIQDSA-N 0 0 383.519 5.703 50 0 GKAARN CC(C)(C)NC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908657 221808306 /nfs/dbraw/zinc/80/83/06/221808306.db2.gz WXZMOYYLFWBEBE-SFHVURJKSA-N 0 0 399.441 5.418 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2noc(C3CCCC3)n2)c1 ZINC000035398675 221820658 /nfs/dbraw/zinc/82/06/58/221820658.db2.gz XVYPZTLGZOOUNU-UHFFFAOYSA-N 0 0 386.455 5.057 50 0 GKAARN Cc1ccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc32)cc1 ZINC000035446438 221824970 /nfs/dbraw/zinc/82/49/70/221824970.db2.gz KJXOHKJIKLEWLM-UHFFFAOYSA-N 0 0 393.450 5.707 50 0 GKAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1cc(C)ccc1C ZINC000035510302 221826992 /nfs/dbraw/zinc/82/69/92/221826992.db2.gz BVGAMXHQWAVRPI-UHFFFAOYSA-N 0 0 385.261 5.282 50 0 GKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(N4CCCC[C@@H]4C)n3)o2)cc1 ZINC000035560882 221828559 /nfs/dbraw/zinc/82/85/59/221828559.db2.gz RGRBNRIREJULIX-INIZCTEOSA-N 0 0 385.471 5.034 50 0 GKAARN CCOc1ccc(Nc2c(-c3ccc(SC)cc3)nc3cnccn32)cc1 ZINC000035616361 221831275 /nfs/dbraw/zinc/83/12/75/221831275.db2.gz RRZVKZSPABUFAZ-UHFFFAOYSA-N 0 0 376.485 5.261 50 0 GKAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000035672317 221831957 /nfs/dbraw/zinc/83/19/57/221831957.db2.gz RKPFJRIVHPMJNT-UHFFFAOYSA-N 0 0 394.780 5.883 50 0 GKAARN CCCCc1cc(=O)oc2cc3occ(-c4ccc5c(c4)OCCCO5)c3cc12 ZINC000035686471 221833413 /nfs/dbraw/zinc/83/34/13/221833413.db2.gz WXOODKJAVHYLHZ-UHFFFAOYSA-N 0 0 390.435 5.710 50 0 GKAARN CCc1cc([C@H](c2cccnc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546116 221880568 /nfs/dbraw/zinc/88/05/68/221880568.db2.gz BRLPISSAJDQQBW-FQEVSTJZSA-N 0 0 395.528 5.126 50 0 GKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccccc3)n2)CC(C)C)c1 ZINC000036114432 221842376 /nfs/dbraw/zinc/84/23/76/221842376.db2.gz CFILGILJLWXDHW-UHFFFAOYSA-N 0 0 394.540 5.329 50 0 GKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000036107968 221842960 /nfs/dbraw/zinc/84/29/60/221842960.db2.gz AOLBMAJJZMTPDD-UHFFFAOYSA-N 0 0 390.867 5.384 50 0 GKAARN Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)C3CCCC3)cs2)cc1 ZINC000036114635 221843029 /nfs/dbraw/zinc/84/30/29/221843029.db2.gz FTKZZZWBEVACNG-UHFFFAOYSA-N 0 0 386.561 5.205 50 0 GKAARN CC[C@@H](C)N(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccco1 ZINC000036106426 221843127 /nfs/dbraw/zinc/84/31/27/221843127.db2.gz RFDJVWFHMIJCSX-MRXNPFEDSA-N 0 0 384.501 5.064 50 0 GKAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CC(C)C)C(=O)CC(C)(C)C ZINC000036208119 221846899 /nfs/dbraw/zinc/84/68/99/221846899.db2.gz FZOMDAYOCFYAEH-UHFFFAOYSA-N 0 0 399.579 5.609 50 0 GKAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000036246424 221848184 /nfs/dbraw/zinc/84/81/84/221848184.db2.gz PCZFGSGIKPULSN-UHFFFAOYSA-N 0 0 393.842 5.014 50 0 GKAARN Cc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246995 221848297 /nfs/dbraw/zinc/84/82/97/221848297.db2.gz LVKZECZWQXMHFI-UHFFFAOYSA-N 0 0 389.879 5.183 50 0 GKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1F)c1cccc(Cl)c1 ZINC000036246195 221848943 /nfs/dbraw/zinc/84/89/43/221848943.db2.gz MQKNGVUFXOKEQU-UHFFFAOYSA-N 0 0 393.842 5.014 50 0 GKAARN Cc1ccc(CO[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3Cl)C2)cc1 ZINC000036314756 221849489 /nfs/dbraw/zinc/84/94/89/221849489.db2.gz WHUGWTQUZHLHDM-QGZVFWFLSA-N 0 0 378.299 5.123 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(-c2ccco2)on1 ZINC000036709407 221866954 /nfs/dbraw/zinc/86/69/54/221866954.db2.gz ROLCHQYEKVDXJS-UHFFFAOYSA-N 0 0 377.834 5.025 50 0 GKAARN Cc1noc([C@@H](C)Sc2nnc(-c3sc4ccccc4c3Cl)o2)n1 ZINC000037149606 221868059 /nfs/dbraw/zinc/86/80/59/221868059.db2.gz GKGGOGUFLOFHDM-SSDOTTSWSA-N 0 0 378.866 5.149 50 0 GKAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCc1ccc(F)cc1F ZINC000037278984 221870450 /nfs/dbraw/zinc/87/04/50/221870450.db2.gz ZMIAGZXUKNHCTR-UHFFFAOYSA-N 0 0 394.377 5.269 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccn3)c3ccccc3n2)c(C)c1 ZINC000040157484 221915761 /nfs/dbraw/zinc/91/57/61/221915761.db2.gz PJTWAZCPAOWBIR-UHFFFAOYSA-N 0 0 381.479 5.186 50 0 GKAARN O=C(NC1=NCCS1)c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC000044998000 221957762 /nfs/dbraw/zinc/95/77/62/221957762.db2.gz ITTHHQDNAITDTB-UHFFFAOYSA-N 0 0 397.352 5.118 50 0 GKAARN O=c1cc(-c2ccccc2)nc2n(Cc3ccc(Cl)cc3)c3ccccc3n21 ZINC000040484711 221924078 /nfs/dbraw/zinc/92/40/78/221924078.db2.gz VHDYRIPZDSJDMY-UHFFFAOYSA-N 0 0 385.854 5.018 50 0 GKAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2cccc(Cl)c2)cc1 ZINC000044087324 221950808 /nfs/dbraw/zinc/95/08/08/221950808.db2.gz TYCYQNCSCVXNSO-UHFFFAOYSA-N 0 0 399.947 5.118 50 0 GKAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1cc2ccccc2nc1Cl ZINC000057756174 222036447 /nfs/dbraw/zinc/03/64/47/222036447.db2.gz JXACVFTXTNUXOX-UHFFFAOYSA-N 0 0 398.919 5.412 50 0 GKAARN COc1ccc([C@H]2CCCCCN2C(=O)N[C@@H](C)c2sc(C)nc2C)cc1 ZINC000057284788 222029314 /nfs/dbraw/zinc/02/93/14/222029314.db2.gz BCKPGNHUYVGRMY-HNAYVOBHSA-N 0 0 387.549 5.156 50 0 GKAARN CCn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(=O)c2cc(C)ccc21 ZINC000057354794 222031637 /nfs/dbraw/zinc/03/16/37/222031637.db2.gz OGEZVSSVANMRIL-UHFFFAOYSA-N 0 0 399.372 5.066 50 0 GKAARN C[C@@H](N[C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000057473807 222033959 /nfs/dbraw/zinc/03/39/59/222033959.db2.gz MXCVAGBSYDQSQF-BFUOFWGJSA-N 0 0 388.895 5.247 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000045928599 221966015 /nfs/dbraw/zinc/96/60/15/221966015.db2.gz LMJNDLBSOAHEOV-FQEVSTJZSA-N 0 0 379.843 5.294 50 0 GKAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076777 221970996 /nfs/dbraw/zinc/97/09/96/221970996.db2.gz HLRUMNXBRDODDH-INIZCTEOSA-N 0 0 397.471 5.436 50 0 GKAARN CC(C)(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccc(OC2CCCC2)cc1 ZINC000049550673 222001031 /nfs/dbraw/zinc/00/10/31/222001031.db2.gz BNEZLVKLLNJXPY-LJQANCHMSA-N 0 0 385.533 5.384 50 0 GKAARN CC(C)Sc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 ZINC000050259402 222001976 /nfs/dbraw/zinc/00/19/76/222001976.db2.gz WPGZLZXOQCKWRX-UHFFFAOYSA-N 0 0 392.590 5.315 50 0 GKAARN CCCCCCC1CCC(C(=O)Oc2ccc(C3=CC[C@H](C)CC3)cc2)CC1 ZINC000050298027 222003100 /nfs/dbraw/zinc/00/31/00/222003100.db2.gz ICXCIHLSJCDWDD-MFMCRYCZSA-N 0 0 382.588 7.572 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)cc1 ZINC000051315431 222004041 /nfs/dbraw/zinc/00/40/41/222004041.db2.gz YWNQQOHDMPCTMZ-UHFFFAOYSA-N 0 0 399.450 5.520 50 0 GKAARN CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2cnc3ccccc3c2O)cc1O ZINC000052509463 222006093 /nfs/dbraw/zinc/00/60/93/222006093.db2.gz PURKAOJPTOLRMP-UHFFFAOYSA-N 0 0 392.499 5.081 50 0 fda GKAARN Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2 ZINC000055161373 222016722 /nfs/dbraw/zinc/01/67/22/222016722.db2.gz ONCCVJKFWKAZAE-UHFFFAOYSA-N 0 0 395.299 6.793 50 0 GKAARN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2C(F)(F)F)[C@H]3CCC1 ZINC000055447667 222021996 /nfs/dbraw/zinc/02/19/96/222021996.db2.gz CUKXSKHIDWFMDP-QFIPXVFZSA-N 0 0 398.472 6.252 50 0 GKAARN CCCOc1cc(Cl)c(CN[C@@H](C)c2nc3ccccc3[nH]2)cc1OCC ZINC000055402486 222022920 /nfs/dbraw/zinc/02/29/20/222022920.db2.gz RHKYQGOLSBRNRJ-AWEZNQCLSA-N 0 0 387.911 5.255 50 0 GKAARN O=C(NC1CCCCCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025550 222094991 /nfs/dbraw/zinc/09/49/91/222094991.db2.gz VVPYTRDDWOPVEG-UHFFFAOYSA-N 0 0 392.547 5.341 50 0 GKAARN O=C(NCc1ccccc1Cl)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065062988 222097380 /nfs/dbraw/zinc/09/73/80/222097380.db2.gz OSWMRDFPMYRIGV-UHFFFAOYSA-N 0 0 395.871 5.049 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000065063206 222097556 /nfs/dbraw/zinc/09/75/56/222097556.db2.gz GHGGBLFLDINBGQ-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN Cc1cccc(-c2nccc(Oc3ccc(C(=O)NCc4ccccc4)cc3)n2)c1 ZINC000065063186 222097989 /nfs/dbraw/zinc/09/79/89/222097989.db2.gz YPRWCXVIOGHISB-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)cc1 ZINC000065062924 222098205 /nfs/dbraw/zinc/09/82/05/222098205.db2.gz KSLBMHBIKHILIC-UHFFFAOYSA-N 0 0 389.480 5.012 50 0 GKAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000065110985 222100959 /nfs/dbraw/zinc/10/09/59/222100959.db2.gz FSQRBXIQPUKBEX-UHFFFAOYSA-N 0 0 393.512 5.432 50 0 GKAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4cc(C)ccc4C)C3)n2)cc1 ZINC000065135439 222101521 /nfs/dbraw/zinc/10/15/21/222101521.db2.gz LNGVBALZMZEFAU-OAQYLSRUSA-N 0 0 385.511 5.089 50 0 GKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(Cl)cc3F)s2)c1 ZINC000065184839 222107242 /nfs/dbraw/zinc/10/72/42/222107242.db2.gz GWLCSJBAFLHXJR-UHFFFAOYSA-N 0 0 391.855 5.249 50 0 GKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)c3cc(F)ccc3F)n2)cc1 ZINC000065218967 222111322 /nfs/dbraw/zinc/11/13/22/222111322.db2.gz IVJFEINYUDXRCX-UHFFFAOYSA-N 0 0 397.406 5.304 50 0 GKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)Cc3ccccc3C)n2)cc1 ZINC000065218979 222111532 /nfs/dbraw/zinc/11/15/32/222111532.db2.gz IDWZSXDFGJPLMU-UHFFFAOYSA-N 0 0 389.480 5.263 50 0 GKAARN O=C(CCc1ccccc1)Nc1ccsc1-c1nc(-c2ccccc2)no1 ZINC000065218883 222111634 /nfs/dbraw/zinc/11/16/34/222111634.db2.gz AFIRDVMFWIVYNN-UHFFFAOYSA-N 0 0 375.453 5.036 50 0 GKAARN Cc1cccc(C(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)c1 ZINC000065219328 222111684 /nfs/dbraw/zinc/11/16/84/222111684.db2.gz YANVYSYALFGUMV-UHFFFAOYSA-N 0 0 379.416 5.165 50 0 GKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)Cc3cccc(F)c3)n2)cc1 ZINC000065218954 222111706 /nfs/dbraw/zinc/11/17/06/222111706.db2.gz RAZANOSBFBRMEH-UHFFFAOYSA-N 0 0 393.443 5.094 50 0 GKAARN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1cccs1 ZINC000058006675 222037082 /nfs/dbraw/zinc/03/70/82/222037082.db2.gz RSQGCALLWPSXGO-HXUWFJFHSA-N 0 0 387.957 5.541 50 0 GKAARN CC(=O)c1c(C)cc(C)c(CSc2nncn2[C@H](C)c2ccccc2)c1C ZINC000058018171 222037353 /nfs/dbraw/zinc/03/73/53/222037353.db2.gz QFNZPQSHPXFNFL-QGZVFWFLSA-N 0 0 379.529 5.308 50 0 GKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000058111797 222038796 /nfs/dbraw/zinc/03/87/96/222038796.db2.gz NTWNGDYHCDHGKU-GGAORHGYSA-N 0 0 388.511 5.377 50 0 GKAARN CC(C)(C)C(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccs1 ZINC000058047180 222038988 /nfs/dbraw/zinc/03/89/88/222038988.db2.gz NUWFDJXVBOVOBQ-HNNXBMFYSA-N 0 0 391.334 5.234 50 0 GKAARN Cc1noc(C)c1CCC(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000058294976 222049538 /nfs/dbraw/zinc/04/95/38/222049538.db2.gz INAZGRHBVZKYDZ-SFHVURJKSA-N 0 0 382.426 5.146 50 0 GKAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1oc2ccc(Cl)cc2c1C ZINC000058417178 222052507 /nfs/dbraw/zinc/05/25/07/222052507.db2.gz BMZGLQTZCXZNFQ-ZDUSSCGKSA-N 0 0 381.863 5.255 50 0 GKAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)Nc1c(F)cccc1F ZINC000058426597 222052669 /nfs/dbraw/zinc/05/26/69/222052669.db2.gz IAZVKDJIAPRDEN-UHFFFAOYSA-N 0 0 394.396 5.824 50 0 GKAARN COc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)sc2C)cc1 ZINC000058419239 222052836 /nfs/dbraw/zinc/05/28/36/222052836.db2.gz BMFPLULSWJFUSU-CABCVRRESA-N 0 0 398.450 5.434 50 0 GKAARN O=C(NCc1ccc(OCc2cccnc2)cc1)Nc1cccc2ccccc21 ZINC000058521329 222054221 /nfs/dbraw/zinc/05/42/21/222054221.db2.gz QPARNENLEJBUKM-UHFFFAOYSA-N 0 0 383.451 5.136 50 0 GKAARN O=C(Nc1ccc(-c2ccccc2)cn1)c1ccccc1SC[C@H]1CCCO1 ZINC000058441420 222054334 /nfs/dbraw/zinc/05/43/34/222054334.db2.gz YBGBVJNJKVILQH-LJQANCHMSA-N 0 0 390.508 5.272 50 0 GKAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000059920810 222057229 /nfs/dbraw/zinc/05/72/29/222057229.db2.gz NAAVSAVPKORGPY-UHFFFAOYSA-N 0 0 390.336 5.593 50 0 GKAARN COc1ccc(CSc2nnc(SCCc3cccs3)s2)cc1 ZINC000060333926 222058998 /nfs/dbraw/zinc/05/89/98/222058998.db2.gz LBDFBPQPDSFHLR-UHFFFAOYSA-N 0 0 380.585 5.235 50 0 GKAARN Cc1ccc(N(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 ZINC000060352226 222060116 /nfs/dbraw/zinc/06/01/16/222060116.db2.gz POULVHTXYRVPBG-UHFFFAOYSA-N 0 0 399.416 5.354 50 0 GKAARN Cc1nc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)sc1-c1ccccc1 ZINC000060337192 222060179 /nfs/dbraw/zinc/06/01/79/222060179.db2.gz UPGAYVISIYITAT-UHFFFAOYSA-N 0 0 394.422 5.167 50 0 GKAARN O=C(COC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 ZINC000060819938 222061272 /nfs/dbraw/zinc/06/12/72/222061272.db2.gz SYJLHRBSYDRWQL-UHFFFAOYSA-N 0 0 380.802 5.090 50 0 GKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(Cc2cccc(Cl)c2)CO1 ZINC000061997668 222064348 /nfs/dbraw/zinc/06/43/48/222064348.db2.gz SGBNUOIYNWCLOY-UHFFFAOYSA-N 0 0 383.875 5.141 50 0 biogenic GKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1 ZINC000061997099 222064420 /nfs/dbraw/zinc/06/44/20/222064420.db2.gz ALIMAGDXJMNNPV-UHFFFAOYSA-N 0 0 384.863 5.735 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1ccsc1 ZINC000061997217 222064698 /nfs/dbraw/zinc/06/46/98/222064698.db2.gz BQPLQZKMNXBIJI-UHFFFAOYSA-N 0 0 381.840 5.631 50 0 GKAARN Cc1ccc(NCc2nnc(-c3ccccc3Cl)o2)c(Br)c1 ZINC000062649633 222065736 /nfs/dbraw/zinc/06/57/36/222065736.db2.gz WSMSAKMTRIFYLT-UHFFFAOYSA-N 0 0 378.657 5.073 50 0 GKAARN O=c1[nH]c(-c2ccnc(Oc3ccccc3Cl)c2)nc2ccc(Cl)cc21 ZINC000063580129 222067172 /nfs/dbraw/zinc/06/71/72/222067172.db2.gz UDMMYURUMAFMLZ-UHFFFAOYSA-N 0 0 384.222 5.084 50 0 GKAARN O=C(NC1CCCCCCC1)c1oc2ccccc2c1CSc1ncccn1 ZINC000063451205 222067559 /nfs/dbraw/zinc/06/75/59/222067559.db2.gz KJQFHRZYUPYGLU-UHFFFAOYSA-N 0 0 395.528 5.358 50 0 GKAARN FC(F)(F)c1ccc(N2CCCC2)c(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000063461422 222067721 /nfs/dbraw/zinc/06/77/21/222067721.db2.gz SPUGGMWZLXAPGG-UHFFFAOYSA-N 0 0 394.828 5.219 50 0 GKAARN CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000063848786 222069728 /nfs/dbraw/zinc/06/97/28/222069728.db2.gz UPKBLJZOTKPAGR-UHFFFAOYSA-N 0 0 391.414 5.198 50 0 GKAARN COc1ccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)cc1 ZINC000064473038 222072015 /nfs/dbraw/zinc/07/20/15/222072015.db2.gz HDILBBRQJZBALW-UHFFFAOYSA-N 0 0 397.887 5.216 50 0 GKAARN COc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472542 222072276 /nfs/dbraw/zinc/07/22/76/222072276.db2.gz ZPDZIEUYIONAIZ-UHFFFAOYSA-N 0 0 388.492 5.775 50 0 GKAARN O=C(Nc1ccccc1F)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472661 222072492 /nfs/dbraw/zinc/07/24/92/222072492.db2.gz YBDZHNGKLHWGGP-UHFFFAOYSA-N 0 0 380.419 5.736 50 0 GKAARN Cc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1F ZINC000064472670 222072570 /nfs/dbraw/zinc/07/25/70/222072570.db2.gz LBTPSPJLCZANRK-UHFFFAOYSA-N 0 0 394.446 6.045 50 0 GKAARN COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc32)cc1 ZINC000064568426 222074820 /nfs/dbraw/zinc/07/48/20/222074820.db2.gz RPGPDLNCWPFRQB-UHFFFAOYSA-N 0 0 389.499 5.168 50 0 GKAARN COc1ccc(Oc2cc(-c3cccc(C(=O)Nc4ccccc4)c3)ncn2)cc1 ZINC000064578367 222074831 /nfs/dbraw/zinc/07/48/31/222074831.db2.gz IAAXGPUZGMJICF-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1ccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)cc1 ZINC000064567946 222075171 /nfs/dbraw/zinc/07/51/71/222075171.db2.gz JOPNQBNVAHFCTO-UHFFFAOYSA-N 0 0 381.888 5.516 50 0 GKAARN COc1cccc2c(Nc3ccc(F)c(C)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568495 222075305 /nfs/dbraw/zinc/07/53/05/222075305.db2.gz UFBNEMNKBBWLKG-UHFFFAOYSA-N 0 0 393.462 5.061 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3ccc(F)cc3F)c2c1 ZINC000064568470 222075323 /nfs/dbraw/zinc/07/53/23/222075323.db2.gz 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222077530 /nfs/dbraw/zinc/07/75/30/222077530.db2.gz JNDGJNKYORKIIJ-UHFFFAOYSA-N 0 0 393.462 5.347 50 0 GKAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)Oc3cccc(Cl)c3)cc12 ZINC000064666327 222077633 /nfs/dbraw/zinc/07/76/33/222077633.db2.gz WFWXQZCSXCSKJZ-UHFFFAOYSA-N 0 0 386.835 5.407 50 0 GKAARN CCc1nc(-c2ccc(-c3noc(-c4cccc(OC)c4OC)n3)cc2)cs1 ZINC000064669130 222077687 /nfs/dbraw/zinc/07/76/87/222077687.db2.gz PLNFRJPPQYAKQF-UHFFFAOYSA-N 0 0 393.468 5.107 50 0 GKAARN CCN1c2ccc(NC(=O)c3ccc(F)cc3)cc2Sc2ccccc2C1=O ZINC000064666559 222078475 /nfs/dbraw/zinc/07/84/75/222078475.db2.gz DHYVMNOOVSLDDN-UHFFFAOYSA-N 0 0 392.455 5.209 50 0 GKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)NCc1ccccc1 ZINC000064665673 222078497 /nfs/dbraw/zinc/07/84/97/222078497.db2.gz IDXGTMPVFDDOMG-UHFFFAOYSA-N 0 0 399.519 5.291 50 0 GKAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)Nc1ccccc1 ZINC000064665670 222078521 /nfs/dbraw/zinc/07/85/21/222078521.db2.gz NJRDELVHZHTEOW-UHFFFAOYSA-N 0 0 385.492 5.613 50 0 GKAARN CN(C)c1ccc(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)cc1 ZINC000064677050 222078922 /nfs/dbraw/zinc/07/89/22/222078922.db2.gz IGWISKOBMNLKQL-UHFFFAOYSA-N 0 0 388.496 5.471 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1C ZINC000064676175 222079095 /nfs/dbraw/zinc/07/90/95/222079095.db2.gz MFDAHGGKHLRNOQ-UHFFFAOYSA-N 0 0 395.915 5.514 50 0 GKAARN O=C(CCc1c(-c2ccccc2)nc2ccccn21)Nc1cccc(Cl)c1 ZINC000064675810 222079103 /nfs/dbraw/zinc/07/91/03/222079103.db2.gz HLQPIWNYHLITFA-UHFFFAOYSA-N 0 0 375.859 5.226 50 0 GKAARN COc1ccc(/C=C/c2nc(-c3cccc(-c4csc(C)n4)c3)no2)cc1 ZINC000064676973 222079428 /nfs/dbraw/zinc/07/94/28/222079428.db2.gz XWTVCWGXHXTADF-DHZHZOJOSA-N 0 0 375.453 5.348 50 0 GKAARN Cc1cc(C)cc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC000064675555 222079649 /nfs/dbraw/zinc/07/96/49/222079649.db2.gz BNCNTUBFBPMJKB-UHFFFAOYSA-N 0 0 387.458 5.329 50 0 GKAARN CCc1ccc(Nc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064791038 222081818 /nfs/dbraw/zinc/08/18/18/222081818.db2.gz 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COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1[C@H](C)Cc1cnccn1 ZINC000065424823 222130687 /nfs/dbraw/zinc/13/06/87/222130687.db2.gz ABRBCRCFAGZHIE-GOSISDBHSA-N 0 0 384.483 5.128 50 0 GKAARN CC(=O)N1CCC[C@H](Cn2cnc(-c3ccccc3)c2-c2ccc(Cl)cc2)C1 ZINC000065503838 222132043 /nfs/dbraw/zinc/13/20/43/222132043.db2.gz UQMGEYSYXDGMBJ-SFHVURJKSA-N 0 0 393.918 5.129 50 0 GKAARN O=C(NCc1ccccc1N1CCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000065534655 222133234 /nfs/dbraw/zinc/13/32/34/222133234.db2.gz QQJLGZIOBYRCNR-UHFFFAOYSA-N 0 0 380.875 5.130 50 0 GKAARN Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000065592185 222135184 /nfs/dbraw/zinc/13/51/84/222135184.db2.gz BVZWNAKVXIAXDA-UHFFFAOYSA-N 0 0 388.448 5.195 50 0 GKAARN O=C(COc1ccc(C2SCCCS2)cc1)Nc1ccc2ncccc2c1 ZINC000065607363 222135898 /nfs/dbraw/zinc/13/58/98/222135898.db2.gz MONKBTBSCUGMTD-UHFFFAOYSA-N 0 0 396.537 5.121 50 0 GKAARN Cc1csc(N(CC(F)(F)F)C(=O)c2csc(-c3ccccc3C)n2)n1 ZINC000066332318 222138842 /nfs/dbraw/zinc/13/88/42/222138842.db2.gz 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COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1OC(F)F ZINC000069055499 222172953 /nfs/dbraw/zinc/17/29/53/222172953.db2.gz QUJWZBAZEGFSLY-VIFPVBQESA-N 0 0 390.213 5.094 50 0 GKAARN O=C(NCCOc1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 ZINC000071385054 222183748 /nfs/dbraw/zinc/18/37/48/222183748.db2.gz COZDDRZEAFTYMQ-UHFFFAOYSA-N 0 0 380.444 5.217 50 0 GKAARN Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)c3cc(C)ccc3C)cs2)c1 ZINC000072309116 222223240 /nfs/dbraw/zinc/22/32/40/222223240.db2.gz GMQYUCSURKRBGG-UHFFFAOYSA-N 0 0 393.556 5.194 50 0 GKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N[C@@H](C)c1ccccc1 ZINC000072328541 222228449 /nfs/dbraw/zinc/22/84/49/222228449.db2.gz LPQHTKCVKDUYHI-HNNXBMFYSA-N 0 0 381.907 5.543 50 0 GKAARN CC(C)(C)c1ccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000072333531 222230549 /nfs/dbraw/zinc/23/05/49/222230549.db2.gz ROOCKNMOJBHYEW-UHFFFAOYSA-N 0 0 392.572 5.618 50 0 GKAARN COc1cccc2cc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc54)nc3)oc21 ZINC000072402869 222253920 /nfs/dbraw/zinc/25/39/20/222253920.db2.gz 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5.264 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000006152528 529159806 /nfs/dbraw/zinc/15/98/06/529159806.db2.gz CDNDODGFODCDNU-UHFFFAOYSA-N 0 0 381.479 5.662 50 0 GKAARN CCc1ccccc1NC(=O)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000065029758 535958088 /nfs/dbraw/zinc/95/80/88/535958088.db2.gz YRHZNZRNHXSUSA-UHFFFAOYSA-N 0 0 392.478 5.571 50 0 GKAARN COC1CCN(c2ccc(NC(=O)c3ccc(-c4ccsc4)cc3)cc2)CC1 ZINC000096104472 536757484 /nfs/dbraw/zinc/75/74/84/536757484.db2.gz QTNKWGSCXKMORD-UHFFFAOYSA-N 0 0 392.524 5.283 50 0 GKAARN Oc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC000000643086 560178576 /nfs/dbraw/zinc/17/85/76/560178576.db2.gz HDPBBNNDDQOWPJ-UHFFFAOYSA-N 0 0 398.458 5.473 50 0 in-vitro GKAARN COc1cc2cnc3c(c(Cc4ccccc4)nn3-c3ccccc3)c2cc1OC ZINC000000967860 560180055 /nfs/dbraw/zinc/18/00/55/560180055.db2.gz PEWFNMCLKSQIOA-UHFFFAOYSA-N 0 0 395.462 5.182 50 0 in-vitro GKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006569094 560206244 /nfs/dbraw/zinc/20/62/44/560206244.db2.gz GGCLNOIGPMGLDB-GYKMGIIDSA-N 0 0 384.648 7.597 50 0 in-vitro GKAARN Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc32)cc1O ZINC000013815413 560220546 /nfs/dbraw/zinc/22/05/46/560220546.db2.gz NVBNDZZLJRYRPD-UHFFFAOYSA-N 0 0 375.403 5.106 50 0 aggregator,in-vitro GKAARN O=C(CCC1CCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022624781 570210329 /nfs/dbraw/zinc/21/03/29/570210329.db2.gz GAUZDUCFYCHGKF-VWLOTQADSA-N 0 0 394.534 5.030 50 0 GKAARN O=C(c1ccnc(-c2ccc(OCc3ccccc3)c(Cl)c2)c1)N1CCCC1 ZINC000096131455 570211065 /nfs/dbraw/zinc/21/10/65/570211065.db2.gz AOFOUJVZXKWNPW-UHFFFAOYSA-N 0 0 392.886 5.217 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccccc1 ZINC000000626270 570211321 /nfs/dbraw/zinc/21/13/21/570211321.db2.gz COOVDZCRPGFEGB-UHFFFAOYSA-N 0 0 386.476 5.739 50 0 GKAARN Cc1ccccc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626735 570211338 /nfs/dbraw/zinc/21/13/38/570211338.db2.gz RLRNSUKZCMTOAH-KRWDZBQOSA-N 0 0 399.321 5.883 50 0 GKAARN Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1CN1CCOCC1 ZINC000019720873 570211500 /nfs/dbraw/zinc/21/15/00/570211500.db2.gz VMBFBNLJKLPKBG-SANMLTNESA-N 0 0 397.518 5.263 50 0 GKAARN Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1CN1CCOCC1 ZINC000019720874 570211510 /nfs/dbraw/zinc/21/15/10/570211510.db2.gz VMBFBNLJKLPKBG-AREMUKBSSA-N 0 0 397.518 5.263 50 0 GKAARN O=c1c(Oc2ccc(Cl)cc2)coc2cc(OCc3ccccc3)ccc21 ZINC000000625524 570211480 /nfs/dbraw/zinc/21/14/80/570211480.db2.gz AVMYYWPJULBZRD-UHFFFAOYSA-N 0 0 378.811 5.818 50 0 GKAARN CCCOc1ccccc1CNc1ccc(OCCOc2ccccc2)cc1 ZINC000019738248 570211709 /nfs/dbraw/zinc/21/17/09/570211709.db2.gz NPDRXLURUCDDDR-UHFFFAOYSA-N 0 0 377.484 5.545 50 0 GKAARN CCCOc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1 ZINC000019738446 570211724 /nfs/dbraw/zinc/21/17/24/570211724.db2.gz ZFPIMHUNSATINW-UHFFFAOYSA-N 0 0 377.484 5.545 50 0 GKAARN COCCOc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1 ZINC000019738460 570211742 /nfs/dbraw/zinc/21/17/42/570211742.db2.gz INYPVOSIHKOYSM-UHFFFAOYSA-N 0 0 391.511 5.336 50 0 GKAARN Cc1cc(Cl)ccc1OCCNc1ccc(OCCCc2ccccc2)cc1 ZINC000019738420 570211857 /nfs/dbraw/zinc/21/18/57/570211857.db2.gz UMKJMXKKKGTDFY-UHFFFAOYSA-N 0 0 395.930 6.151 50 0 GKAARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccccc1Cl ZINC000000636713 570212418 /nfs/dbraw/zinc/21/24/18/570212418.db2.gz KNTQNHXXWMEMMU-UHFFFAOYSA-N 0 0 397.714 5.946 50 0 GKAARN COc1ccccc1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000019745847 570213715 /nfs/dbraw/zinc/21/37/15/570213715.db2.gz PSFKBQPAOAJFHW-VWLOTQADSA-N 0 0 384.479 5.030 50 0 GKAARN COc1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000000647298 570213955 /nfs/dbraw/zinc/21/39/55/570213955.db2.gz KKVKZTFKPZJVGM-WYMLVPIESA-N 0 0 389.476 5.547 50 0 biogenic GKAARN Cc1ccc(-c2cc(C(=O)NC(C)C)c3cc(Br)ccc3n2)cc1C ZINC000000648458 570214286 /nfs/dbraw/zinc/21/42/86/570214286.db2.gz XESZIGXDJNANTH-UHFFFAOYSA-N 0 0 397.316 5.419 50 0 GKAARN Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000000656082 570214636 /nfs/dbraw/zinc/21/46/36/570214636.db2.gz PNODMNAWNPEYNS-UHFFFAOYSA-N 0 0 379.287 5.358 50 0 GKAARN O=C(CCCC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000000656455 570214642 /nfs/dbraw/zinc/21/46/42/570214642.db2.gz ILANSNQNZHYCAO-UHFFFAOYSA-N 0 0 387.213 5.019 50 0 GKAARN CC[C@H](C)n1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000000662017 570215033 /nfs/dbraw/zinc/21/50/33/570215033.db2.gz YOPOQRQJAOPJCW-YRIIZNAFSA-N 0 0 393.874 5.363 50 0 GKAARN COc1ccc(-c2csc(NC(=O)c3ccccc3)c2C(=O)OC(C)C)cc1 ZINC000000668994 570215328 /nfs/dbraw/zinc/21/53/28/570215328.db2.gz DPPBMYVZWPPCHD-UHFFFAOYSA-N 0 0 395.480 5.241 50 0 GKAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2 ZINC000000666149 570215400 /nfs/dbraw/zinc/21/54/00/570215400.db2.gz MTVANEOPYOMFRV-UHFFFAOYSA-N 0 0 376.909 5.271 50 0 GKAARN CCOC(=O)c1c(NC(=O)C(F)(F)F)sc(C)c1-c1ccc(Cl)cc1 ZINC000000669041 570215493 /nfs/dbraw/zinc/21/54/93/570215493.db2.gz LDHROGOYWUKNKW-UHFFFAOYSA-N 0 0 391.798 5.054 50 0 GKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000000674735 570215984 /nfs/dbraw/zinc/21/59/84/570215984.db2.gz PERQNJPOBZVDRY-UHFFFAOYSA-N 0 0 396.712 5.418 50 0 GKAARN O=C(c1ccc(COc2ccccc2Br)cc1)N1CCCCCC1 ZINC000000673090 570216125 /nfs/dbraw/zinc/21/61/25/570216125.db2.gz QNXITLDJDFGKTQ-UHFFFAOYSA-N 0 0 388.305 5.044 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccncc1 ZINC000000677589 570216353 /nfs/dbraw/zinc/21/63/53/570216353.db2.gz BMAFIBJKIJTVDE-UHFFFAOYSA-N 0 0 391.430 5.809 50 0 GKAARN Cc1cc(C)c(NC(=O)c2cc(Br)ccc2Br)c(C)c1 ZINC000000682482 570217040 /nfs/dbraw/zinc/21/70/40/570217040.db2.gz YYXNYVRESCQODJ-UHFFFAOYSA-N 0 0 397.110 5.389 50 0 GKAARN C[C@@H](C(=O)Nc1nc2ccccc2s1)c1cccc(C(=O)c2ccccc2)c1 ZINC000000682441 570217161 /nfs/dbraw/zinc/21/71/61/570217161.db2.gz JDUNNYCXFDHPCD-OAHLLOKOSA-N 0 0 386.476 5.270 50 0 GKAARN CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000004295398 570217389 /nfs/dbraw/zinc/21/73/89/570217389.db2.gz IZBAYLILQMFOHH-UHFFFAOYSA-N 0 0 385.423 5.055 50 0 GKAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2c[nH]nc2-c2ccccc2)c1 ZINC000000684642 570217837 /nfs/dbraw/zinc/21/78/37/570217837.db2.gz WFGJNCVMHXRJAI-WMZHIEFXSA-N 0 0 398.491 5.381 50 0 GKAARN CCOc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)cc1 ZINC000000688057 570217887 /nfs/dbraw/zinc/21/78/87/570217887.db2.gz HAXVBBOYSKVJOJ-UHFFFAOYSA-N 0 0 390.464 5.264 50 0 GKAARN Cc1sc(NC(=O)CSc2nc3ccccc3s2)nc1-c1ccccc1 ZINC000000685777 570217972 /nfs/dbraw/zinc/21/79/72/570217972.db2.gz SXXXIDAQTFLPLP-UHFFFAOYSA-N 0 0 397.550 5.459 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NC3CCCCCCC3)o2)c1 ZINC000000696023 570218189 /nfs/dbraw/zinc/21/81/89/570218189.db2.gz BDWFCBJVLAEOKR-UHFFFAOYSA-N 0 0 383.532 6.133 50 0 GKAARN Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)c1C ZINC000000691642 570218213 /nfs/dbraw/zinc/21/82/13/570218213.db2.gz RWPIGZKHKKATJY-UHFFFAOYSA-N 0 0 379.529 5.407 50 0 GKAARN Cc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)c(C)c2)c1 ZINC000000689469 570218219 /nfs/dbraw/zinc/21/82/19/570218219.db2.gz KVKXTTDLOFVICP-STZFKDTASA-N 0 0 390.508 5.083 50 0 GKAARN Cc1ccc2oc(-c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)nc2c1 ZINC000000692737 570218245 /nfs/dbraw/zinc/21/82/45/570218245.db2.gz LLBNBHUFKLUKQW-UHFFFAOYSA-N 0 0 382.419 5.221 50 0 GKAARN Cc1nc(-c2ccccc2)nc2sc(C(=O)c3ccccc3)c(-n3cccc3)c21 ZINC000000688120 570218362 /nfs/dbraw/zinc/21/83/62/570218362.db2.gz TUQRDTLIORBHQK-UHFFFAOYSA-N 0 0 395.487 5.688 50 0 GKAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1C ZINC000000691611 570218407 /nfs/dbraw/zinc/21/84/07/570218407.db2.gz LITYLOYPSGYEMH-UHFFFAOYSA-N 0 0 379.529 5.407 50 0 GKAARN Cc1cc2nc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)sc2cc1C ZINC000004304980 570218401 /nfs/dbraw/zinc/21/84/01/570218401.db2.gz LAKVNHULUKGRHH-ZHACJKMWSA-N 0 0 399.519 5.555 50 0 GKAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c(C(F)(F)F)c1 ZINC000048083258 570218522 /nfs/dbraw/zinc/21/85/22/570218522.db2.gz HACDTLDDKPUWGJ-GOSISDBHSA-N 0 0 378.394 5.391 50 0 GKAARN Cc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000000702351 570218593 /nfs/dbraw/zinc/21/85/93/570218593.db2.gz DPIXDIJRXHJPLW-UHFFFAOYSA-N 0 0 375.906 5.045 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000004305106 570218669 /nfs/dbraw/zinc/21/86/69/570218669.db2.gz VEKJLYVUSWSVKQ-QFIPXVFZSA-N 0 0 388.511 5.111 50 0 GKAARN COc1ccc(Oc2coc3cc(OCc4cccc(C)c4)ccc3c2=O)cc1 ZINC000000703393 570218746 /nfs/dbraw/zinc/21/87/46/570218746.db2.gz STNJDDOXOPSVNU-UHFFFAOYSA-N 0 0 388.419 5.481 50 0 GKAARN Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000000708525 570219311 /nfs/dbraw/zinc/21/93/11/570219311.db2.gz QJYBVYWCPVULIS-UHFFFAOYSA-N 0 0 390.060 5.049 50 0 GKAARN COc1cccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1 ZINC000000711004 570219336 /nfs/dbraw/zinc/21/93/36/570219336.db2.gz PFCZODNVHQLLSE-UHFFFAOYSA-N 0 0 375.468 5.039 50 0 GKAARN CC(=O)Nc1c(Br)cc([C@@H]2CCCC[C@H]2C)cc1Br ZINC000000712560 570219693 /nfs/dbraw/zinc/21/96/93/570219693.db2.gz OCLXNRVHUUNUOR-BXKDBHETSA-N 0 0 389.131 5.464 50 0 GKAARN COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)c(OC)c1 ZINC000006040794 570219741 /nfs/dbraw/zinc/21/97/41/570219741.db2.gz XUVBQIJZUNYUNQ-UHFFFAOYSA-N 0 0 383.447 5.805 50 0 biogenic GKAARN O=C(Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O)c1ccco1 ZINC000000719537 570220122 /nfs/dbraw/zinc/22/01/22/570220122.db2.gz NDOFCZUILPRGLW-UHFFFAOYSA-N 0 0 398.370 5.551 50 0 aggregator GKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)cc1 ZINC000000722565 570220399 /nfs/dbraw/zinc/22/03/99/570220399.db2.gz ZPELIFKEUPSOGK-UHFFFAOYSA-N 0 0 378.431 6.209 50 0 GKAARN Cc1sc2ncnc(S[C@@H](C)c3nc4ccccc4n3C(F)F)c2c1C ZINC000048234434 570221024 /nfs/dbraw/zinc/22/10/24/570221024.db2.gz JUJPVUGWAHYYRI-NSHDSACASA-N 0 0 390.484 5.906 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4cccc5ccccc54)c3)nc2c1 ZINC000000726041 570221098 /nfs/dbraw/zinc/22/10/98/570221098.db2.gz GFTNAFYAAOYHJS-UHFFFAOYSA-N 0 0 378.431 6.209 50 0 GKAARN O=C(N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)c1cccs1 ZINC000000726102 570221150 /nfs/dbraw/zinc/22/11/50/570221150.db2.gz SDSIQKMKDNLXHF-INIZCTEOSA-N 0 0 399.730 5.440 50 0 GKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4cccs4)cc3c2C)c1 ZINC000015729462 570221736 /nfs/dbraw/zinc/22/17/36/570221736.db2.gz GHEMKUZTBLVROR-UHFFFAOYSA-N 0 0 391.448 5.295 50 0 GKAARN Cc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000729583 570221672 /nfs/dbraw/zinc/22/16/72/570221672.db2.gz GTMXJDFFYHHFTI-FGZHOGPDSA-N 0 0 395.861 5.631 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000000752205 570221930 /nfs/dbraw/zinc/22/19/30/570221930.db2.gz XNRMLYWEKMWUBG-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc2ccccc2c1 ZINC000000754627 570221977 /nfs/dbraw/zinc/22/19/77/570221977.db2.gz GKPMCHMCJZTEDK-UHFFFAOYSA-N 0 0 387.460 5.013 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000000752919 570222135 /nfs/dbraw/zinc/22/21/35/570222135.db2.gz XDLIVIAVDFGVTL-UHFFFAOYSA-N 0 0 391.833 5.584 50 0 GKAARN O=C(Cc1ccc(F)cc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000015730179 570222371 /nfs/dbraw/zinc/22/23/71/570222371.db2.gz CKBQSQOQBYUIEE-UHFFFAOYSA-N 0 0 378.834 5.809 50 0 GKAARN CSc1cc(S(=O)(=O)c2ccc(Cl)c(SC)c2)ccc1Cl ZINC000000755056 570222548 /nfs/dbraw/zinc/22/25/48/570222548.db2.gz UATQXMFICVOXIM-UHFFFAOYSA-N 0 0 379.355 5.270 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2cccnc2)cc1 ZINC000019823559 570222993 /nfs/dbraw/zinc/22/29/93/570222993.db2.gz CMCWGLUGCCVEIP-UHFFFAOYSA-N 0 0 392.915 5.583 50 0 GKAARN COc1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000783556 570223124 /nfs/dbraw/zinc/22/31/24/570223124.db2.gz ZZXCINIXCYUYKC-JOCHJYFZSA-N 0 0 392.405 5.057 50 0 GKAARN FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccc[nH]2)cc1 ZINC000019835207 570223670 /nfs/dbraw/zinc/22/36/70/570223670.db2.gz WNQJRGNQJXBGAH-GOSISDBHSA-N 0 0 378.419 5.123 50 0 GKAARN COC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000006046861 570223731 /nfs/dbraw/zinc/22/37/31/570223731.db2.gz VTLCTDLFFRRMOA-UHFFFAOYSA-N 0 0 380.400 5.076 50 0 GKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000006047005 570223844 /nfs/dbraw/zinc/22/38/44/570223844.db2.gz SUBFYNITAMYWJO-JLHYYAGUSA-N 0 0 385.529 5.491 50 0 GKAARN Cc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c(O)c1 ZINC000048260336 570224021 /nfs/dbraw/zinc/22/40/21/570224021.db2.gz BMQXCCHNBDPCKT-UHFFFAOYSA-N 0 0 376.437 5.336 50 0 GKAARN O=C(Nc1cccc(OC(F)(F)F)c1)N(Cc1ccco1)Cc1cccs1 ZINC000048260611 570224133 /nfs/dbraw/zinc/22/41/33/570224133.db2.gz GLICMMAJVXKQOH-UHFFFAOYSA-N 0 0 396.390 5.474 50 0 GKAARN COC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC(C)C ZINC000085381099 570224419 /nfs/dbraw/zinc/22/44/19/570224419.db2.gz VYPWAFOQJKEQJO-UHFFFAOYSA-N 0 0 380.513 5.138 50 0 GKAARN C[C@@H](N[C@H](C)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000048261112 570224679 /nfs/dbraw/zinc/22/46/79/570224679.db2.gz XJRNEXXOMFLGLA-GHMZBOCLSA-N 0 0 388.792 5.176 50 0 GKAARN Cc1ccc2c(c1)c1c(n2Cc2ccccn2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000085393226 570225058 /nfs/dbraw/zinc/22/50/58/570225058.db2.gz YDRRDZXNLGOFQE-UHFFFAOYSA-N 0 0 391.515 5.076 50 0 GKAARN c1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2cccc3ccccc32)[nH]1 ZINC000000828894 570225658 /nfs/dbraw/zinc/22/56/58/570225658.db2.gz VFVPFSIATVMLPO-UHFFFAOYSA-N 0 0 385.470 7.045 50 0 GKAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000000855407 570226813 /nfs/dbraw/zinc/22/68/13/570226813.db2.gz CAKCNYHZZMERMW-UHFFFAOYSA-N 0 0 391.920 5.130 50 0 GKAARN O=C(c1sc2ccccc2c1Cl)N1c2ccccc2CCc2ccccc21 ZINC000000852634 570226839 /nfs/dbraw/zinc/22/68/39/570226839.db2.gz SPRBYCGPZWLDEV-UHFFFAOYSA-N 0 0 389.907 6.632 50 0 GKAARN COc1cccc(C[C@@H](Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1 ZINC000000852957 570226925 /nfs/dbraw/zinc/22/69/25/570226925.db2.gz OTPWVDXGWFKWTA-KRWDZBQOSA-N 0 0 382.467 5.017 50 0 GKAARN O=C(CCC1CCCC1)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl ZINC000019881467 570227427 /nfs/dbraw/zinc/22/74/27/570227427.db2.gz OVRHJUAXXKCVKN-UHFFFAOYSA-N 0 0 376.928 5.311 50 0 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CC(C)N(Cc1ccccn1)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000048276698 570229892 /nfs/dbraw/zinc/22/98/92/570229892.db2.gz WZEXCWJPQPSNJL-UHFFFAOYSA-N 0 0 399.469 5.487 50 0 GKAARN CCOC(=O)c1c2cc(OC(=O)c3cccc(OC)c3)ccc2oc1C(C)(C)C ZINC000001463697 570229997 /nfs/dbraw/zinc/22/99/97/570229997.db2.gz ZOQIHRHNCSYOMR-UHFFFAOYSA-N 0 0 396.439 5.135 50 0 GKAARN Cc1cccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000000941353 570230845 /nfs/dbraw/zinc/23/08/45/570230845.db2.gz OGEPZFKLRRBUHC-UHFFFAOYSA-N 0 0 395.673 5.046 50 0 GKAARN CCc1cc2c(cc1OCC=C(C)C)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001464241 570230929 /nfs/dbraw/zinc/23/09/29/570230929.db2.gz OTSXVUBQZGCPQG-UHFFFAOYSA-N 0 0 392.451 5.139 50 0 biogenic GKAARN O=c1oc2ccc(Cl)cc2n1CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000048279290 570230986 /nfs/dbraw/zinc/23/09/86/570230986.db2.gz BWQLLDDFROWDQJ-HNNXBMFYSA-N 0 0 399.903 5.042 50 0 GKAARN CCN(CC)c1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000000948689 570231066 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ZINC000019942764 570232744 /nfs/dbraw/zinc/23/27/44/570232744.db2.gz DORGREGYGHYSSZ-UHFFFAOYSA-N 0 0 377.594 5.836 50 0 GKAARN COc1ccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1OC ZINC000000984740 570233215 /nfs/dbraw/zinc/23/32/15/570233215.db2.gz QLKKMVXLSTXYGX-HSZRJFAPSA-N 0 0 391.492 5.767 50 0 GKAARN C[C@@H](NC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1 ZINC000000987706 570233244 /nfs/dbraw/zinc/23/32/44/570233244.db2.gz BVUPPEKHPNFPLW-OXQOHEQNSA-N 0 0 379.887 5.445 50 0 GKAARN COc1ccc2c(c1)-c1c(sn(-c3cc(C)ccc3O)c1=S)C(C)(C)N2 ZINC000000985231 570233340 /nfs/dbraw/zinc/23/33/40/570233340.db2.gz WQXFNJRHZCEJAY-UHFFFAOYSA-N 0 0 384.526 5.619 50 0 GKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1C ZINC000000989725 570233416 /nfs/dbraw/zinc/23/34/16/570233416.db2.gz YUGIZCHXWYWCAV-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN O=C(Nc1ccc(-c2nc3cccnc3o2)cc1)c1cccc(Cl)c1Cl ZINC000000986904 570233447 /nfs/dbraw/zinc/23/34/47/570233447.db2.gz CPBXPWMRLZPVJS-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000000990814 570233697 /nfs/dbraw/zinc/23/36/97/570233697.db2.gz HINYBZVJSPKYCC-UHFFFAOYSA-N 0 0 380.447 5.665 50 0 GKAARN Fc1ccc2c(c1)C1=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)[C@@H]1CO2 ZINC000000990179 570233735 /nfs/dbraw/zinc/23/37/35/570233735.db2.gz GZBUANHOAMCPIY-VGOFRKELSA-N 0 0 395.886 6.456 50 0 GKAARN Cc1ccc([C@H]2Sc3ccccc3N=C3c4cc(F)ccc4OC[C@H]32)cc1 ZINC000000990176 570233757 /nfs/dbraw/zinc/23/37/57/570233757.db2.gz QGUFBFJLBIVYSF-WZONZLPQSA-N 0 0 375.468 6.111 50 0 GKAARN CCCCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C)cc1 ZINC000023308625 570233905 /nfs/dbraw/zinc/23/39/05/570233905.db2.gz XDCZOYSTNDFWSI-UHFFFAOYSA-N 0 0 381.907 6.020 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 ZINC000000993379 570234026 /nfs/dbraw/zinc/23/40/26/570234026.db2.gz DZHLICCHMMZMIC-UHFFFAOYSA-N 0 0 392.911 6.486 50 0 GKAARN COc1ccc2sc(C(=O)NCCc3ccccc3Cl)c(Cl)c2c1 ZINC000023309247 570234383 /nfs/dbraw/zinc/23/43/83/570234383.db2.gz SKPVUMYXOIFZEN-UHFFFAOYSA-N 0 0 380.296 5.189 50 0 GKAARN O=C(Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1)C1CCCCC1 ZINC000000998134 570234435 /nfs/dbraw/zinc/23/44/35/570234435.db2.gz VFYCPBXQLLCODX-UHFFFAOYSA-N 0 0 377.469 5.623 50 0 GKAARN O=C(Nc1nccs1)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000011610947 570234572 /nfs/dbraw/zinc/23/45/72/570234572.db2.gz NHEVCALUEJBNCD-UHFFFAOYSA-N 0 0 384.457 5.328 50 0 GKAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001004630 570234748 /nfs/dbraw/zinc/23/47/48/570234748.db2.gz PUQLSWSTSKIKJL-JTQLQIEISA-N 0 0 397.327 5.339 50 0 GKAARN Fc1ccc(NC(=S)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000001016871 570235205 /nfs/dbraw/zinc/23/52/05/570235205.db2.gz NNPBTZNJJRVZDL-OAHLLOKOSA-N 0 0 387.530 5.497 50 0 GKAARN Cc1ccc(-c2nc(CSc3n[nH]c(-c4ccccc4F)n3)co2)c(C)c1 ZINC000048326266 570235438 /nfs/dbraw/zinc/23/54/38/570235438.db2.gz UQKKNFXHPXZPJC-UHFFFAOYSA-N 0 0 380.448 5.175 50 0 GKAARN O=C(NC1CCC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023309033 570235542 /nfs/dbraw/zinc/23/55/42/570235542.db2.gz KYLZVQRVANJZIT-UHFFFAOYSA-N 0 0 386.282 5.333 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364517 570235589 /nfs/dbraw/zinc/23/55/89/570235589.db2.gz CXOACTTXRYRHOC-HNNXBMFYSA-N 0 0 399.277 5.152 50 0 GKAARN Cc1nc(C)c(-c2nnc(SCCOc3ccc4ccccc4c3)o2)s1 ZINC000048325092 570235881 /nfs/dbraw/zinc/23/58/81/570235881.db2.gz BWGAIKGFSGSGLC-UHFFFAOYSA-N 0 0 383.498 5.134 50 0 GKAARN Cc1cccc(C)c1SCc1csc(Cc2ccc(F)cc2Cl)n1 ZINC000023311169 570236084 /nfs/dbraw/zinc/23/60/84/570236084.db2.gz LQBPVPKCACXZDI-UHFFFAOYSA-N 0 0 377.937 6.436 50 0 GKAARN CC(C)CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000004816842 570236309 /nfs/dbraw/zinc/23/63/09/570236309.db2.gz PCEZIBPFBYTVSP-WOJBJXKFSA-N 0 0 394.906 5.045 50 0 GKAARN COc1ccc(Oc2cccc(Cl)c2CNC(=O)Nc2ccccc2)cc1 ZINC000001032831 570236342 /nfs/dbraw/zinc/23/63/42/570236342.db2.gz QPCJIOMAJYKUPD-UHFFFAOYSA-N 0 0 382.847 5.463 50 0 GKAARN CC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cn2)cc1 ZINC000001034046 570236452 /nfs/dbraw/zinc/23/64/52/570236452.db2.gz XSLFNHRYTYBNGF-UHFFFAOYSA-N 0 0 379.435 5.955 50 0 GKAARN CCc1ccccc1SCc1csc(Cc2ccc(F)cc2Cl)n1 ZINC000023309368 570236471 /nfs/dbraw/zinc/23/64/71/570236471.db2.gz RTICBKJQYHSAKG-UHFFFAOYSA-N 0 0 377.937 6.381 50 0 GKAARN CCCCC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023309304 570236576 /nfs/dbraw/zinc/23/65/76/570236576.db2.gz BHCYBLVLGRYHDC-UHFFFAOYSA-N 0 0 379.479 5.196 50 0 GKAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000001034128 570236617 /nfs/dbraw/zinc/23/66/17/570236617.db2.gz WQSSVLLOJJGYJJ-UHFFFAOYSA-N 0 0 396.255 5.360 50 0 GKAARN O=C(NC1Cc2ccccc2C1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000001034118 570236626 /nfs/dbraw/zinc/23/66/26/570236626.db2.gz YQFDYGFPKZBCAK-UHFFFAOYSA-N 0 0 388.250 5.276 50 0 GKAARN COc1cccc(SCc2csc(Cc3ccc(F)cc3Cl)n2)c1 ZINC000023309678 570236693 /nfs/dbraw/zinc/23/66/93/570236693.db2.gz PCQOAFVDXGMSCR-UHFFFAOYSA-N 0 0 379.909 5.827 50 0 GKAARN Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 ZINC000001037045 570236858 /nfs/dbraw/zinc/23/68/58/570236858.db2.gz SKSUFAVLACTAOV-JTSKRJEESA-N 0 0 377.896 6.316 50 0 GKAARN CC1CCN(C(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)CC1 ZINC000023312209 570237456 /nfs/dbraw/zinc/23/74/56/570237456.db2.gz AEGVWNNFNFIQFI-UHFFFAOYSA-N 0 0 377.509 6.080 50 0 GKAARN COc1cc(NC(=O)CNc2ccccc2-c2ccccc2)c(OC)cc1Cl ZINC000011619172 570237457 /nfs/dbraw/zinc/23/74/57/570237457.db2.gz HAOQODIKOYFGSP-UHFFFAOYSA-N 0 0 396.874 5.075 50 0 GKAARN O=c1c2ccccc2[nH]c(=S)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001042258 570237497 /nfs/dbraw/zinc/23/74/97/570237497.db2.gz ZRKQIALWCAPELT-UHFFFAOYSA-N 0 0 390.308 5.086 50 0 GKAARN Cc1cccc2[nH]cc(C3=NNC(=Nc4ccccc4C(F)(F)F)SC3)c21 ZINC000063629638 570237548 /nfs/dbraw/zinc/23/75/48/570237548.db2.gz PLZAWWKPUXKSGI-UHFFFAOYSA-N 0 0 388.418 5.414 50 0 GKAARN CCc1ccccc1NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000001041802 570237593 /nfs/dbraw/zinc/23/75/93/570237593.db2.gz MNAXJGYDUXSGAI-UHFFFAOYSA-N 0 0 382.916 6.504 50 0 GKAARN CC(C)(C)C(=O)CSc1nc2ccccc2c(SCC(=O)C(C)(C)C)n1 ZINC000001041365 570237596 /nfs/dbraw/zinc/23/75/96/570237596.db2.gz QFIMSUAJLGNNJF-UHFFFAOYSA-N 0 0 390.574 5.044 50 0 GKAARN CCN(CC)C(=S)Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001041771 570237681 /nfs/dbraw/zinc/23/76/81/570237681.db2.gz AKSTUGMHXQLZDI-UHFFFAOYSA-N 0 0 397.327 5.251 50 0 GKAARN CCCC[C@H](CC)C(=O)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1 ZINC000023312832 570237706 /nfs/dbraw/zinc/23/77/06/570237706.db2.gz AQCXBUJJSHSOQT-SFHVURJKSA-N 0 0 390.502 6.710 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCCC3=CCCCC3)cc2)c1 ZINC000023312730 570237818 /nfs/dbraw/zinc/23/78/18/570237818.db2.gz MLQGWXUKTVOWPX-UHFFFAOYSA-N 0 0 399.538 5.776 50 0 GKAARN CCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023311736 570237870 /nfs/dbraw/zinc/23/78/70/570237870.db2.gz URLJUDOXFVRRIP-UHFFFAOYSA-N 0 0 387.405 5.245 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C(F)(F)F)cc1 ZINC000001043884 570237981 /nfs/dbraw/zinc/23/79/81/570237981.db2.gz YPXRJAFZCRELQP-UHFFFAOYSA-N 0 0 379.765 6.180 50 0 GKAARN Cc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000001047461 570238276 /nfs/dbraw/zinc/23/82/76/570238276.db2.gz QAUWHEDMWRMKEN-UHFFFAOYSA-N 0 0 377.296 5.601 50 0 GKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Oc1ccccc1N1CCCCC1 ZINC000001046258 570238387 /nfs/dbraw/zinc/23/83/87/570238387.db2.gz NSJJLKSWQVDBPB-UHFFFAOYSA-N 0 0 380.366 5.186 50 0 GKAARN Cc1[nH]c2ccc(C(=O)NCc3cccnc3Oc3cccc(F)c3)cc2c1C ZINC000048332040 570238641 /nfs/dbraw/zinc/23/86/41/570238641.db2.gz HDXBAVIUGKUTAF-UHFFFAOYSA-N 0 0 389.430 5.041 50 0 GKAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)cc1 ZINC000001049830 570238759 /nfs/dbraw/zinc/23/87/59/570238759.db2.gz UXPJIIVXPPCUKW-UHFFFAOYSA-N 0 0 383.083 5.081 50 0 GKAARN CC[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000001056899 570239001 /nfs/dbraw/zinc/23/90/01/570239001.db2.gz PIRXHBCQGYIKLO-FQEVSTJZSA-N 0 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CCOc1ccc(-c2nc(CNC(=O)Nc3ccc(C)c(Cl)c3)c(C)o2)cc1 ZINC000015774847 570241568 /nfs/dbraw/zinc/24/15/68/570241568.db2.gz VRGUMYIANVKVDE-UHFFFAOYSA-N 0 0 399.878 5.332 50 0 GKAARN CCc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000015774726 570241640 /nfs/dbraw/zinc/24/16/40/570241640.db2.gz NQPWMRSWPJJLOV-UHFFFAOYSA-N 0 0 384.483 5.087 50 0 GKAARN COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c1 ZINC000001111933 570242712 /nfs/dbraw/zinc/24/27/12/570242712.db2.gz QJMYGPCGSQAEFI-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000001111711 570242722 /nfs/dbraw/zinc/24/27/22/570242722.db2.gz RAGCQTWWHXEBBP-UHFFFAOYSA-N 0 0 389.455 5.048 50 0 GKAARN COc1cccc([C@H](C)NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 ZINC000001112009 570242798 /nfs/dbraw/zinc/24/27/98/570242798.db2.gz XPUWEZAGHCBCFC-JTQLQIEISA-N 0 0 380.296 5.708 50 0 GKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001113663 570243062 /nfs/dbraw/zinc/24/30/62/570243062.db2.gz 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570244210 /nfs/dbraw/zinc/24/42/10/570244210.db2.gz HDEBCFACFHJUJF-AWEZNQCLSA-N 0 0 389.396 5.013 50 0 GKAARN O=C(c1ccco1)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1ccco1 ZINC000001126164 570244479 /nfs/dbraw/zinc/24/44/79/570244479.db2.gz IBHYCAXRPIWWLS-HXUWFJFHSA-N 0 0 375.424 5.330 50 0 GKAARN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1Cl ZINC000006103746 570244551 /nfs/dbraw/zinc/24/45/51/570244551.db2.gz VYGKWDKNFHILNU-CYBMUJFWSA-N 0 0 396.903 5.074 50 0 GKAARN Cc1ccc2c(Cl)c(C(=O)N3CCC(Cc4ccccc4)CC3)sc2c1 ZINC000006279352 570244681 /nfs/dbraw/zinc/24/46/81/570244681.db2.gz WDNCSKBBKHNKNW-UHFFFAOYSA-N 0 0 383.944 5.958 50 0 GKAARN Clc1ccc(OCc2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)cc1 ZINC000001128782 570244717 /nfs/dbraw/zinc/24/47/17/570244717.db2.gz ODTSHEOXBDAVJT-GFCCVEGCSA-N 0 0 381.690 5.463 50 0 GKAARN CCOc1cc(C)c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C ZINC000001128337 570244854 /nfs/dbraw/zinc/24/48/54/570244854.db2.gz CQCMWSGNELVXGS-YBFXNURJSA-N 0 0 398.890 5.268 50 0 GKAARN 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/nfs/dbraw/zinc/24/84/07/570248407.db2.gz FIKWGGGRQXYQQB-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 ZINC000001145887 570248537 /nfs/dbraw/zinc/24/85/37/570248537.db2.gz BALRWPFQXBQIOJ-UHFFFAOYSA-N 0 0 390.874 5.197 50 0 GKAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1C ZINC000001145248 570248587 /nfs/dbraw/zinc/24/85/87/570248587.db2.gz YKPGPUSSGNAWSL-UHFFFAOYSA-N 0 0 399.519 5.526 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(CSc2ncnc3sccc32)cc1 ZINC000006115336 570248728 /nfs/dbraw/zinc/24/87/28/570248728.db2.gz LQXJJGDMXDUWKC-UHFFFAOYSA-N 0 0 377.494 5.236 50 0 GKAARN CCc1cc2c(cc1OCC(=O)OC)oc(C)c(-c1ccc(C(C)C)cc1)c2=O ZINC000001153063 570249233 /nfs/dbraw/zinc/24/92/33/570249233.db2.gz BJMKQNOETGVVJZ-UHFFFAOYSA-N 0 0 394.467 5.006 50 0 GKAARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)NCc1ccccc1 ZINC000001154090 570249516 /nfs/dbraw/zinc/24/95/16/570249516.db2.gz KGYQOQHTUJKWJJ-ACCUITESSA-N 0 0 382.257 5.039 50 0 GKAARN Cc1ccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1Cl ZINC000015785093 570249732 /nfs/dbraw/zinc/24/97/32/570249732.db2.gz DTWKIXACGUHHRZ-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000001155645 570249939 /nfs/dbraw/zinc/24/99/39/570249939.db2.gz CEZJFSJPFJDYDV-BWWMBTDCSA-N 0 0 399.877 5.045 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000085649751 570250128 /nfs/dbraw/zinc/25/01/28/570250128.db2.gz BYWRKXSDXHBLAC-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)/C=C/c1ccccc1Cl ZINC000085650237 570250199 /nfs/dbraw/zinc/25/01/99/570250199.db2.gz DCPLAIMAXRRTMH-MDZDMXLPSA-N 0 0 399.903 5.679 50 0 GKAARN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 ZINC000001156499 570250270 /nfs/dbraw/zinc/25/02/70/570250270.db2.gz HEMZJTBPINWCQC-UHFFFAOYSA-N 0 0 390.414 5.214 50 0 GKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000020249474 570250299 /nfs/dbraw/zinc/25/02/99/570250299.db2.gz TWKUWXMAEIPCGU-FQEVSTJZSA-N 0 0 391.858 5.600 50 0 GKAARN Cc1occc1C(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2ccc(C)cc2)s1 ZINC000020256415 570250333 /nfs/dbraw/zinc/25/03/33/570250333.db2.gz UZHYCUBTVVVKEN-SFHVURJKSA-N 0 0 394.496 5.188 50 0 GKAARN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(OC)c1 ZINC000001158124 570251033 /nfs/dbraw/zinc/25/10/33/570251033.db2.gz YLBJBTKMNWRJLE-UHFFFAOYSA-N 0 0 392.238 5.523 50 0 GKAARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccc(Cl)c1 ZINC000001505763 570252157 /nfs/dbraw/zinc/25/21/57/570252157.db2.gz QAQOGYHHFDQPSK-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032942889 570252181 /nfs/dbraw/zinc/25/21/81/570252181.db2.gz SZRPGVAXFGNNAN-LBPRGKRZSA-N 0 0 376.403 5.373 50 0 GKAARN O=C(Nc1ccc(Cl)c(Br)c1)c1ccc(Cl)cc1Cl ZINC000001163883 570252358 /nfs/dbraw/zinc/25/23/58/570252358.db2.gz KQOOPWLUGPAKEL-UHFFFAOYSA-N 0 0 379.468 5.662 50 0 GKAARN CCc1ccc(OCC(=O)Nc2ccc(Br)cc2C(C)C)cc1 ZINC000001163481 570252359 /nfs/dbraw/zinc/25/23/59/570252359.db2.gz XMFFXPRPJJNORP-UHFFFAOYSA-N 0 0 376.294 5.152 50 0 GKAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000026072236 570252429 /nfs/dbraw/zinc/25/24/29/570252429.db2.gz MLEZMCWTAKZUCC-CQSZACIVSA-N 0 0 380.513 5.010 50 0 GKAARN CC(C)Cc1ccc([C@H](C)NC(=O)CSc2ccc3ccccc3n2)cc1 ZINC000032942891 570252463 /nfs/dbraw/zinc/25/24/63/570252463.db2.gz QRIWEFOQYYFMFW-KRWDZBQOSA-N 0 0 378.541 5.403 50 0 GKAARN Cc1cccc(Oc2ccccc2NC(=O)c2cccc(N3CCCC3=O)c2)c1 ZINC000014894644 570252533 /nfs/dbraw/zinc/25/25/33/570252533.db2.gz JNPKOQQROHIAAT-UHFFFAOYSA-N 0 0 386.451 5.166 50 0 GKAARN O=C(Nc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1)c1cccs1 ZINC000001165078 570252799 /nfs/dbraw/zinc/25/27/99/570252799.db2.gz GDYLBLQJAQEOBT-UHFFFAOYSA-N 0 0 399.471 5.887 50 0 GKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000001169154 570252997 /nfs/dbraw/zinc/25/29/97/570252997.db2.gz FAZUGOFBAFRQJN-UHFFFAOYSA-N 0 0 396.446 5.110 50 0 GKAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000001172319 570253339 /nfs/dbraw/zinc/25/33/39/570253339.db2.gz HNXBGUWZRCQKNR-UHFFFAOYSA-N 0 0 397.927 6.040 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1C ZINC000012823828 570253543 /nfs/dbraw/zinc/25/35/43/570253543.db2.gz AQUNJWJPQVOYRU-UHFFFAOYSA-N 0 0 393.512 5.453 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)oc2c(C)c1 ZINC000001172903 570253670 /nfs/dbraw/zinc/25/36/70/570253670.db2.gz BCCXWFLGNHQUAD-UHFFFAOYSA-N 0 0 383.662 5.420 50 0 GKAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001175842 570254048 /nfs/dbraw/zinc/25/40/48/570254048.db2.gz DNUSMMNYPARQDS-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN COc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC ZINC000001175281 570254103 /nfs/dbraw/zinc/25/41/03/570254103.db2.gz RUUGDLUAHWTITM-UHFFFAOYSA-N 0 0 390.483 5.048 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)c(Cl)c1)CCCC3 ZINC000002388596 570254177 /nfs/dbraw/zinc/25/41/77/570254177.db2.gz ZLCCWTBZDLCGKF-UHFFFAOYSA-N 0 0 392.311 5.316 50 0 GKAARN Cc1c(C)c(=O)oc2c1cc(Cl)c1c2CN(Cc2ccccc2Cl)CO1 ZINC000020403877 570254372 /nfs/dbraw/zinc/25/43/72/570254372.db2.gz CYIMQYXGTXTWTR-UHFFFAOYSA-N 0 0 390.266 5.069 50 0 GKAARN O=C(CCSc1nc2ccccc2s1)Nc1ccc(Br)cc1 ZINC000001178558 570254355 /nfs/dbraw/zinc/25/43/55/570254355.db2.gz MEBIALZEFMYYRM-UHFFFAOYSA-N 0 0 393.331 5.180 50 0 GKAARN CC(=O)[C@H](C(=O)c1ccccc1)[C@@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000001178394 570254466 /nfs/dbraw/zinc/25/44/66/570254466.db2.gz WYGFRXFLYCUKSU-FCHUYYIVSA-N 0 0 376.839 5.666 50 0 GKAARN O=C(Oc1c2ccccc2oc(=O)c1Cc1ccccc1)c1cc2ccccc2o1 ZINC000001177207 570254509 /nfs/dbraw/zinc/25/45/09/570254509.db2.gz AYHJXNBCBGNCOH-UHFFFAOYSA-N 0 0 396.398 5.349 50 0 GKAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)cc1 ZINC000001177221 570254514 /nfs/dbraw/zinc/25/45/14/570254514.db2.gz JNLDNWQKUQYEFK-LFIBNONCSA-N 0 0 397.430 5.324 50 0 GKAARN COc1ccc(-c2nnc(NC(=O)Nc3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000001179347 570254639 /nfs/dbraw/zinc/25/46/39/570254639.db2.gz FAIOYHHZITWYGT-UHFFFAOYSA-N 0 0 382.489 5.155 50 0 GKAARN C[C@@H]1C[NH+](CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000020166882 570254653 /nfs/dbraw/zinc/25/46/53/570254653.db2.gz CCOLCOPPEFRFIM-NHCUHLMSSA-N 0 0 381.560 5.281 50 0 GKAARN CCOc1cc(C=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000001178680 570254806 /nfs/dbraw/zinc/25/48/06/570254806.db2.gz AWJUUQFJCNIADT-UHFFFAOYSA-N 0 0 385.257 5.393 50 0 GKAARN CCCC(=O)NC(=S)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C ZINC000001180011 570254850 /nfs/dbraw/zinc/25/48/50/570254850.db2.gz XIHUKPPLYYSNGW-UHFFFAOYSA-N 0 0 381.501 5.033 50 0 GKAARN COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000001180235 570255130 /nfs/dbraw/zinc/25/51/30/570255130.db2.gz XYIYWCJUELUVIQ-UHFFFAOYSA-N 0 0 396.446 5.353 50 0 GKAARN Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 ZINC000001180230 570255150 /nfs/dbraw/zinc/25/51/50/570255150.db2.gz SYPNKOKAYVPOIL-UHFFFAOYSA-N 0 0 397.714 6.331 50 0 GKAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000001182341 570255506 /nfs/dbraw/zinc/25/55/06/570255506.db2.gz MSNZLZFZXNAYQI-UHFFFAOYSA-N 0 0 378.859 5.082 50 0 GKAARN FC(F)(F)c1cccnc1N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000020443838 570255899 /nfs/dbraw/zinc/25/58/99/570255899.db2.gz ZTDFMJQNOSQRQW-UHFFFAOYSA-N 0 0 396.456 6.149 50 0 GKAARN CCOc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OCC)c1OCC ZINC000001190868 570256987 /nfs/dbraw/zinc/25/69/87/570256987.db2.gz FWWJYZACEHSUJR-UHFFFAOYSA-N 0 0 398.286 5.442 50 0 GKAARN O=C(COc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 ZINC000001188688 570256996 /nfs/dbraw/zinc/25/69/96/570256996.db2.gz JWHPKDFMULSKHJ-UHFFFAOYSA-N 0 0 383.472 6.048 50 0 aggregator GKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(C)c(C)c2)n1 ZINC000049005205 570257145 /nfs/dbraw/zinc/25/71/45/570257145.db2.gz QSQYQNRQUARZBQ-SFHVURJKSA-N 0 0 388.515 5.313 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1Cl ZINC000001195728 570257310 /nfs/dbraw/zinc/25/73/10/570257310.db2.gz IAKXTASBXOWEPN-UHFFFAOYSA-N 0 0 383.687 6.023 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(F)c(C)c2)n1 ZINC000049005499 570257236 /nfs/dbraw/zinc/25/72/36/570257236.db2.gz FQRDHVXIGSAXRL-UHFFFAOYSA-N 0 0 392.478 5.001 50 0 GKAARN CCc1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)c1 ZINC000049005469 570257245 /nfs/dbraw/zinc/25/72/45/570257245.db2.gz SHPVLAWMMOYVGK-UHFFFAOYSA-N 0 0 388.515 5.116 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)o1 ZINC000001200160 570257318 /nfs/dbraw/zinc/25/73/18/570257318.db2.gz SQIOIWOAKKEHGJ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1Br ZINC000001204624 570257617 /nfs/dbraw/zinc/25/76/17/570257617.db2.gz PCLFAFOGRPMAHJ-UHFFFAOYSA-N 0 0 392.256 5.245 50 0 GKAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000001202243 570257622 /nfs/dbraw/zinc/25/76/22/570257622.db2.gz TWBUXPQUWCELNZ-UHFFFAOYSA-N 0 0 398.249 5.757 50 0 GKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl ZINC000001207004 570257855 /nfs/dbraw/zinc/25/78/55/570257855.db2.gz ILCNUUWSDZKLFA-UHFFFAOYSA-N 0 0 391.858 5.534 50 0 GKAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000001208293 570258110 /nfs/dbraw/zinc/25/81/10/570258110.db2.gz IORVXKUKTVSXFI-UHFFFAOYSA-N 0 0 395.484 5.110 50 0 GKAARN O=C(COc1ccccc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001208717 570258123 /nfs/dbraw/zinc/25/81/23/570258123.db2.gz KBUHAHRNTQWANT-UHFFFAOYSA-N 0 0 378.815 5.166 50 0 GKAARN COc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1 ZINC000001208269 570258156 /nfs/dbraw/zinc/25/81/56/570258156.db2.gz HCLHJPHSRVZEKL-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1cccnc1-n1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000001210815 570258204 /nfs/dbraw/zinc/25/82/04/570258204.db2.gz OJUHMSHSNOLHIS-UHFFFAOYSA-N 0 0 382.250 5.063 50 0 GKAARN COc1ccc(N2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000001207833 570258212 /nfs/dbraw/zinc/25/82/12/570258212.db2.gz ZHLZLCGSYOKFPE-DHDCSXOGSA-N 0 0 380.252 5.243 50 0 GKAARN Cc1cccnc1N(C(=O)c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1 ZINC000001218593 570258923 /nfs/dbraw/zinc/25/89/23/570258923.db2.gz OPHKMUHRCOJOGT-UHFFFAOYSA-N 0 0 385.250 5.184 50 0 GKAARN COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC000001228900 570259339 /nfs/dbraw/zinc/25/93/39/570259339.db2.gz MWCXRAKGPSLVSR-HXUWFJFHSA-N 0 0 377.406 5.079 50 0 GKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)Nc1ccc(F)cc1 ZINC000001253568 570259677 /nfs/dbraw/zinc/25/96/77/570259677.db2.gz UUWJFSSJFIASOT-UHFFFAOYSA-N 0 0 383.235 5.295 50 0 GKAARN O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001280971 570260180 /nfs/dbraw/zinc/26/01/80/570260180.db2.gz DFEZGJUPIJYRCA-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1 ZINC000001296085 570260471 /nfs/dbraw/zinc/26/04/71/570260471.db2.gz FSQKFCVEZTZXQZ-UIOOFZCWSA-N 0 0 393.571 5.507 50 0 biogenic GKAARN Cc1ccc(NC(=O)Nc2nnc(COc3ccccc3Cl)s2)cc1C ZINC000001308201 570260508 /nfs/dbraw/zinc/26/05/08/570260508.db2.gz RJOWYNMRWZBEGX-UHFFFAOYSA-N 0 0 388.880 5.031 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1C ZINC000001307618 570260547 /nfs/dbraw/zinc/26/05/47/570260547.db2.gz UBCVEFAGIRTCNI-UHFFFAOYSA-N 0 0 393.299 5.773 50 0 GKAARN O=c1[nH]c(C(Cl)=Cc2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12 ZINC000071885962 570261483 /nfs/dbraw/zinc/26/14/83/570261483.db2.gz BYWGXSWOUIZHMD-NTUHNPAUSA-N 0 0 385.172 5.745 50 0 GKAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000049004492 570262011 /nfs/dbraw/zinc/26/20/11/570262011.db2.gz FOEJZYCEPMJQBW-UHFFFAOYSA-N 0 0 389.377 5.266 50 0 GKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc(C)cc1 ZINC000023319894 570262156 /nfs/dbraw/zinc/26/21/56/570262156.db2.gz IWUZDBKQCHQILK-UHFFFAOYSA-N 0 0 379.481 5.076 50 0 GKAARN COc1ccccc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C ZINC000001413934 570262423 /nfs/dbraw/zinc/26/24/23/570262423.db2.gz YAOMTUNNYIILDA-UHFFFAOYSA-N 0 0 386.451 5.681 50 0 GKAARN O=C(COc1ccc(Cl)cc1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000023320150 570262565 /nfs/dbraw/zinc/26/25/65/570262565.db2.gz PNGFEKSLDDNKIK-QHCPKHFHSA-N 0 0 395.861 5.032 50 0 GKAARN Clc1ccc(-c2csc(SCc3nc(-c4ccccc4)no3)n2)cc1 ZINC000001425441 570262887 /nfs/dbraw/zinc/26/28/87/570262887.db2.gz ANIIAKHLSZLNON-UHFFFAOYSA-N 0 0 385.901 5.806 50 0 GKAARN COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)c3ccccc3n2)cc1 ZINC000002079415 570262921 /nfs/dbraw/zinc/26/29/21/570262921.db2.gz ADLZPHPRBHKGAS-UHFFFAOYSA-N 0 0 383.447 5.746 50 0 GKAARN COc1cccc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000023321336 570262940 /nfs/dbraw/zinc/26/29/40/570262940.db2.gz NVCRAYFZPZWGJA-JOCHJYFZSA-N 0 0 377.871 5.137 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000001804760 570262997 /nfs/dbraw/zinc/26/29/97/570262997.db2.gz HWXYJFSYLDUUAO-UHFFFAOYSA-N 0 0 396.874 5.471 50 0 GKAARN CC(Pc1ccccc1-c1ccccc1)Pc1ccccc1-c1ccccc1 ZINC000098071535 570263211 /nfs/dbraw/zinc/26/32/11/570263211.db2.gz RQNBYUBERODGJZ-UHFFFAOYSA-N 0 0 398.426 6.674 50 0 GKAARN O=C1O[C@H](c2ccc(Br)cc2)C2(CCCCC2)C(=O)C12CCCC2 ZINC000001440399 570263220 /nfs/dbraw/zinc/26/32/20/570263220.db2.gz QHBCLESCODSTKC-MRXNPFEDSA-N 0 0 391.305 5.127 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2ccc3c4c(cccc42)CC3)N1c1ccccc1 ZINC000001459059 570263710 /nfs/dbraw/zinc/26/37/10/570263710.db2.gz OGTJVDNNRJZMCT-RUZDIDTESA-N 0 0 376.459 5.710 50 0 GKAARN O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CCc2ccccc21 ZINC000001460391 570263783 /nfs/dbraw/zinc/26/37/83/570263783.db2.gz VQUOMYGBYJDLRK-UHFFFAOYSA-N 0 0 385.854 5.153 50 0 GKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000001453750 570263918 /nfs/dbraw/zinc/26/39/18/570263918.db2.gz UYHBDYPRCZCUBN-SIKLNZKXSA-N 0 0 394.858 5.574 50 0 GKAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc21 ZINC000001514855 570264191 /nfs/dbraw/zinc/26/41/91/570264191.db2.gz TXHFCQYCOQHOSQ-UHFFFAOYSA-N 0 0 399.446 5.335 50 0 aggregator GKAARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc(Oc3ccccc3)c1)[NH2+]CC2 ZINC000020506954 570264521 /nfs/dbraw/zinc/26/45/21/570264521.db2.gz PHSMLDZTNUALIF-RUZDIDTESA-N 0 0 389.495 5.511 50 0 biogenic GKAARN O=C1[C@@H]2CCCN2[C@@H](c2cccc(Cl)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000085988126 570264547 /nfs/dbraw/zinc/26/45/47/570264547.db2.gz HZVDCKSPTIDDHC-DLBZAZTESA-N 0 0 381.690 5.157 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012846818 570265265 /nfs/dbraw/zinc/26/52/65/570265265.db2.gz SUEYNZOTHLELME-FQEVSTJZSA-N 0 0 388.895 5.167 50 0 GKAARN Cc1s/c(=N/c2ccccc2)n(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000100053020 570265732 /nfs/dbraw/zinc/26/57/32/570265732.db2.gz HAVCAUHURQWCOB-ZNTNEXAZSA-N 0 0 376.912 6.400 50 0 GKAARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100137226 570266864 /nfs/dbraw/zinc/26/68/64/570266864.db2.gz XLISFAFDRGVGFS-CMJOXMDJSA-N 0 0 390.870 6.562 50 0 GKAARN COC(=O)c1c(N[C@@H](C)CCc2ccccc2)onc1-c1ccc(Cl)cc1 ZINC000015821705 570266928 /nfs/dbraw/zinc/26/69/28/570266928.db2.gz FZUWXRZQWQCKTG-AWEZNQCLSA-N 0 0 384.863 5.215 50 0 GKAARN C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000013988198 570267394 /nfs/dbraw/zinc/26/73/94/570267394.db2.gz IQEMAABJKNVLGV-GHMZBOCLSA-N 0 0 388.747 6.005 50 0 GKAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000012856964 570267499 /nfs/dbraw/zinc/26/74/99/570267499.db2.gz WAOYAJDUJLSLQG-UHFFFAOYSA-N 0 0 398.595 5.840 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000001768323 570268092 /nfs/dbraw/zinc/26/80/92/570268092.db2.gz CTOSCWNDZKUAKP-UHFFFAOYSA-N 0 0 385.872 5.498 50 0 GKAARN CC(C)CCC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl ZINC000022629683 570268256 /nfs/dbraw/zinc/26/82/56/570268256.db2.gz FLODYNKKKUXVJL-UHFFFAOYSA-N 0 0 382.335 5.851 50 0 GKAARN CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001769165 570268259 /nfs/dbraw/zinc/26/82/59/570268259.db2.gz QFYSVGQWQUKJQB-UHFFFAOYSA-N 0 0 382.412 5.518 50 0 GKAARN CCCCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000001779499 570268450 /nfs/dbraw/zinc/26/84/50/570268450.db2.gz PSVFGOZXCTXOFL-UHFFFAOYSA-N 0 0 396.314 5.970 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(C(F)(F)F)c1 ZINC000001779637 570268507 /nfs/dbraw/zinc/26/85/07/570268507.db2.gz UKCYVWQDVZUGDD-UHFFFAOYSA-N 0 0 398.409 6.234 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012864220 570268771 /nfs/dbraw/zinc/26/87/71/570268771.db2.gz RWZVJEKEBVGJPS-UHFFFAOYSA-N 0 0 376.504 5.267 50 0 GKAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc3ccccc3c2)cc1 ZINC000100211918 570268859 /nfs/dbraw/zinc/26/88/59/570268859.db2.gz GKFIGXUGTUBGNV-RSXGOPAZSA-N 0 0 376.459 6.082 50 0 GKAARN COc1cccc(OP(=O)(Nc2ccccc2)Oc2cccc(OC)c2)c1 ZINC000001803581 570269047 /nfs/dbraw/zinc/26/90/47/570269047.db2.gz QGSISOQHGKBIQO-UHFFFAOYSA-N 0 0 385.356 5.382 50 0 GKAARN CC(C)(C)C(=O)CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000001827051 570269281 /nfs/dbraw/zinc/26/92/81/570269281.db2.gz 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570270218 /nfs/dbraw/zinc/27/02/18/570270218.db2.gz DGYNGKYWZZLQRM-CQSZACIVSA-N 0 0 393.508 5.455 50 0 GKAARN COc1ccc2oc3ccc(OC)c(Br)c3c2c1Br ZINC000004798419 570270362 /nfs/dbraw/zinc/27/03/62/570270362.db2.gz MNHOLBJNRVWNRV-UHFFFAOYSA-N 0 0 386.039 5.128 50 0 GKAARN CCc1cccc(C)c1NC(=O)CCCCC(=O)Nc1c(C)cccc1CC ZINC000004542685 570270389 /nfs/dbraw/zinc/27/03/89/570270389.db2.gz MEAXIALDPXFKPF-UHFFFAOYSA-N 0 0 380.532 5.566 50 0 GKAARN CCCCCC[C@@H](C)Nc1cccc2c(N[C@@H](C)CCCCCC)cccc12 ZINC000004759794 570270545 /nfs/dbraw/zinc/27/05/45/570270545.db2.gz IHBDCHNRDUFLIV-SZPZYZBQSA-N 0 0 382.636 8.381 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(Cl)cc2)cc3C(F)F)cc1 ZINC000020602806 570270612 /nfs/dbraw/zinc/27/06/12/570270612.db2.gz GWFJSABIWOFYCZ-UHFFFAOYSA-N 0 0 399.828 5.996 50 0 GKAARN COc1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)cc1OC ZINC000020603086 570270627 /nfs/dbraw/zinc/27/06/27/570270627.db2.gz QIISMKUFMDOUHT-UHFFFAOYSA-N 0 0 399.372 5.181 50 0 GKAARN CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 ZINC000049592598 570270621 /nfs/dbraw/zinc/27/06/21/570270621.db2.gz IKBUVTXHPIOQEA-HXUWFJFHSA-N 0 0 377.419 5.089 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001946418 570270716 /nfs/dbraw/zinc/27/07/16/570270716.db2.gz WKPVBXFYXFULRN-MRXNPFEDSA-N 0 0 399.556 5.637 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020605422 570270908 /nfs/dbraw/zinc/27/09/08/570270908.db2.gz JBPMWYBPHQBSPQ-UHFFFAOYSA-N 0 0 397.400 5.488 50 0 GKAARN Cc1cccc(-n2c3nc(-c4ccccc4)cc(C(F)F)c3c(=O)[nH]c2=S)c1 ZINC000020604495 570270926 /nfs/dbraw/zinc/27/09/26/570270926.db2.gz SZTDUYMJXIEBCC-UHFFFAOYSA-N 0 0 395.434 5.356 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000013999825 570271174 /nfs/dbraw/zinc/27/11/74/570271174.db2.gz MZVKINJHVCQNAR-UHFFFAOYSA-N 0 0 397.887 5.286 50 0 GKAARN COc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000049634193 570271219 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Cc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cc1 ZINC000020615401 570272352 /nfs/dbraw/zinc/27/23/52/570272352.db2.gz AYZSWTIALZCALO-UHFFFAOYSA-N 0 0 375.422 6.211 50 0 GKAARN CCCn1nc(C)c2c1nc(-c1cccc(OC(F)F)c1)cc2C(F)(F)F ZINC000020615642 570272442 /nfs/dbraw/zinc/27/24/42/570272442.db2.gz AEFPFUZPEUARDB-UHFFFAOYSA-N 0 0 385.336 5.437 50 0 GKAARN C[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000062927390 570272527 /nfs/dbraw/zinc/27/25/27/570272527.db2.gz DMQDAAAXAYNKES-CYBMUJFWSA-N 0 0 382.451 5.020 50 0 GKAARN Cc1ccc(N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c(C)c1 ZINC000002054232 570272655 /nfs/dbraw/zinc/27/26/55/570272655.db2.gz JFDUZYSHKYGPPP-KRWDZBQOSA-N 0 0 385.722 5.150 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(Cl)c1 ZINC000002052324 570272586 /nfs/dbraw/zinc/27/25/86/570272586.db2.gz JDMQYAQKHVXCMQ-UHFFFAOYSA-N 0 0 392.911 6.486 50 0 GKAARN O=c1oc(-c2ccccc2F)nc2sc3c(c21)CCCCCCCCCC3 ZINC000002060389 570272962 /nfs/dbraw/zinc/27/29/62/570272962.db2.gz 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ZINC000002078928 570273405 /nfs/dbraw/zinc/27/34/05/570273405.db2.gz GTSOSKRBKFYWLZ-UHFFFAOYSA-N 0 0 395.502 6.861 50 0 GKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccccc1-2 ZINC000002073679 570273418 /nfs/dbraw/zinc/27/34/18/570273418.db2.gz ZJDJTDXCRBZYQG-SFHVURJKSA-N 0 0 398.557 5.776 50 0 GKAARN COc1cc(Cl)cc2c1OC1(C=C2)c2ccccc2N(C)c2ccccc21 ZINC000002074754 570273466 /nfs/dbraw/zinc/27/34/66/570273466.db2.gz IJRGVKLXQWOMIE-UHFFFAOYSA-N 0 0 375.855 5.779 50 0 GKAARN O=C(CCCc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000002073546 570273470 /nfs/dbraw/zinc/27/34/70/570273470.db2.gz OQDKQQFBHWUNSJ-UHFFFAOYSA-N 0 0 392.886 5.554 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000002081440 570273630 /nfs/dbraw/zinc/27/36/30/570273630.db2.gz VYVLJLABYFBYEO-MBSDFSHPSA-N 0 0 375.537 6.672 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21 ZINC000002081757 570273665 /nfs/dbraw/zinc/27/36/65/570273665.db2.gz USTSUBLDLNBJPX-UHFFFAOYSA-N 0 0 380.491 6.333 50 0 GKAARN O=C(/C=C/c1ccc(Br)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000002081522 570273756 /nfs/dbraw/zinc/27/37/56/570273756.db2.gz UDCLVXIGIIRTMQ-DTQAZKPQSA-N 0 0 390.365 5.956 50 0 GKAARN CCCOc1c(Cl)cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OCC ZINC000002081275 570273759 /nfs/dbraw/zinc/27/37/59/570273759.db2.gz LRAPVMVSFICZDY-LDADJPATSA-N 0 0 399.874 5.180 50 0 GKAARN CCCCCSc1nnc2c(n1)O[C@H](c1cccc(O)c1)Nc1ccccc1-2 ZINC000002084570 570273907 /nfs/dbraw/zinc/27/39/07/570273907.db2.gz VPBJYRXGSHEKAT-LJQANCHMSA-N 0 0 394.500 5.030 50 0 GKAARN Cc1ccc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)s1 ZINC000002084882 570273923 /nfs/dbraw/zinc/27/39/23/570273923.db2.gz HXWVWGYRTCWEKC-UHFFFAOYSA-N 0 0 378.541 6.114 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2C)nc2ccccc21 ZINC000002082044 570273967 /nfs/dbraw/zinc/27/39/67/570273967.db2.gz OYIVGRQRCVTLDO-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN Cc1ccc(-c2csc3ncnc(Nc4ccc(C(C)(C)C)cc4)c23)cc1C ZINC000002083500 570273984 /nfs/dbraw/zinc/27/39/84/570273984.db2.gz OXDSQERWQNJZPR-UHFFFAOYSA-N 0 0 387.552 7.016 50 0 GKAARN COc1cccc(-c2cc(C(=O)NCCCc3ccccc3)c3ccccc3n2)c1 ZINC000002086295 570274200 /nfs/dbraw/zinc/27/42/00/570274200.db2.gz PMUKTHVGFQDLLQ-UHFFFAOYSA-N 0 0 396.490 5.273 50 0 GKAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000002086115 570274218 /nfs/dbraw/zinc/27/42/18/570274218.db2.gz UWNAEUKNBHFYPT-AWNIVKPZSA-N 0 0 380.488 5.899 50 0 GKAARN COc1ccccc1[C@H]1Nc2ccc(Br)cc2[C@@H](c2ccccc2)O1 ZINC000002087678 570274227 /nfs/dbraw/zinc/27/42/27/570274227.db2.gz YAZKSGUZEOLXLP-RTWAWAEBSA-N 0 0 396.284 5.688 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000002088652 570274231 /nfs/dbraw/zinc/27/42/31/570274231.db2.gz QFCKHKCWOACGCJ-UHFFFAOYSA-N 0 0 396.383 5.954 50 0 GKAARN CCc1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc32)cc1 ZINC000002093838 570274573 /nfs/dbraw/zinc/27/45/73/570274573.db2.gz PMUZINKJNJQMLH-UHFFFAOYSA-N 0 0 385.482 6.732 50 0 GKAARN COc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000002094003 570274588 /nfs/dbraw/zinc/27/45/88/570274588.db2.gz JTHOKGQZEYLDRN-UHFFFAOYSA-N 0 0 388.294 6.193 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000100682485 570274699 /nfs/dbraw/zinc/27/46/99/570274699.db2.gz BIKBXVDGYLXILG-FQEVSTJZSA-N 0 0 386.417 6.577 50 0 GKAARN COC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccc(Cl)cc1 ZINC000002107714 570274865 /nfs/dbraw/zinc/27/48/65/570274865.db2.gz SSXQBHYSFWPAIK-UHFFFAOYSA-N 0 0 399.899 5.724 50 0 GKAARN CCCCOc1cccc(-c2cc(C(=O)n3nc(C)cc3C)c3ccccc3n2)c1 ZINC000002103378 570274879 /nfs/dbraw/zinc/27/48/79/570274879.db2.gz SPPXXWSAIIWDSK-UHFFFAOYSA-N 0 0 399.494 5.583 50 0 GKAARN CC[C@H](NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21)c1ccc(C)cc1 ZINC000002105932 570274891 /nfs/dbraw/zinc/27/48/91/570274891.db2.gz IOGBKOBCGJDHFK-DEOSSOPVSA-N 0 0 394.518 6.400 50 0 GKAARN Cc1c(C)n(-c2ccc(C)c(C)c2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 ZINC000015842346 570275015 /nfs/dbraw/zinc/27/50/15/570275015.db2.gz JTVDSTYCWPFCSC-UHFFFAOYSA-N 0 0 385.446 5.108 50 0 GKAARN CCCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 ZINC000012876449 570275033 /nfs/dbraw/zinc/27/50/33/570275033.db2.gz DNWUUNGXZJQVKG-OAHLLOKOSA-N 0 0 390.483 5.112 50 0 GKAARN CCOc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002117843 570275074 /nfs/dbraw/zinc/27/50/74/570275074.db2.gz OMOLLPBCNDISPR-UHFFFAOYSA-N 0 0 375.859 5.653 50 0 GKAARN CCOc1cccc2cc(C(=O)N[C@H](C)c3ccc([C@@H](C)CC)cc3)c(=O)oc21 ZINC000002111706 570275142 /nfs/dbraw/zinc/27/51/42/570275142.db2.gz YYPUISLFWKMWIS-JKSUJKDBSA-N 0 0 393.483 5.196 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccc(C)cc32)cc1 ZINC000002111427 570275190 /nfs/dbraw/zinc/27/51/90/570275190.db2.gz ONKGLPWUBMTZDW-UHFFFAOYSA-N 0 0 394.518 6.894 50 0 GKAARN O=C1S/C(=C/c2ccccc2C(F)(F)F)C(=O)N1c1ccc(Cl)cc1 ZINC000002119645 570275329 /nfs/dbraw/zinc/27/53/29/570275329.db2.gz VSDXKSGEJJXLEB-NTEUORMPSA-N 0 0 383.778 5.600 50 0 GKAARN CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccc(Cl)cc2Cl)C1(C)C ZINC000002138504 570275748 /nfs/dbraw/zinc/27/57/48/570275748.db2.gz QCQAYMYUDXYUKY-RTBURBONSA-N 0 0 378.299 6.099 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000002137982 570275824 /nfs/dbraw/zinc/27/58/24/570275824.db2.gz DESCOYAKVJNCJJ-UHFFFAOYSA-N 0 0 398.487 6.579 50 0 GKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c1OC ZINC000005169354 570275950 /nfs/dbraw/zinc/27/59/50/570275950.db2.gz PNQSRVBURNSQAB-UHFFFAOYSA-N 0 0 382.485 5.203 50 0 GKAARN CCOc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)n1 ZINC000002147856 570276025 /nfs/dbraw/zinc/27/60/25/570276025.db2.gz ALAHTXQLDIHNAG-UHFFFAOYSA-N 0 0 391.323 6.141 50 0 GKAARN O=C(CSCc1ccc(Cl)cc1Cl)Nc1cc(F)c(F)cc1F ZINC000002143974 570276100 /nfs/dbraw/zinc/27/61/00/570276100.db2.gz VWJYBMSZXPLFTO-UHFFFAOYSA-N 0 0 380.218 5.283 50 0 GKAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 ZINC000002143175 570276103 /nfs/dbraw/zinc/27/61/03/570276103.db2.gz IGUAFNIBKYXTGU-UHFFFAOYSA-N 0 0 390.961 5.482 50 0 GKAARN COc1cc(C(Sc2ccccc2)Sc2ccccc2)cc(OC)c1OC ZINC000002145009 570276205 /nfs/dbraw/zinc/27/62/05/570276205.db2.gz FEVCOPFZDFNFKL-UHFFFAOYSA-N 0 0 398.549 6.296 50 0 GKAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000006138757 570276414 /nfs/dbraw/zinc/27/64/14/570276414.db2.gz ZBTQVKFNPVMCKD-UHFFFAOYSA-N 0 0 392.293 5.116 50 0 GKAARN COc1ccc(-c2c(C)c3c(n2C)[C@@H](c2ccccc2)Oc2ccccc2-3)cc1 ZINC000002157736 570276638 /nfs/dbraw/zinc/27/66/38/570276638.db2.gz FAKMXFKPKGIGNS-AREMUKBSSA-N 0 0 381.475 6.158 50 0 GKAARN Fc1cccc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)c1 ZINC000002155024 570276641 /nfs/dbraw/zinc/27/66/41/570276641.db2.gz WDPOHKGAZVMAME-UHFFFAOYSA-N 0 0 379.435 5.505 50 0 GKAARN CSc1sc(C(=O)Sc2ccc(C(F)(F)F)cc2)c2c1C=CCC2 ZINC000002157936 570276707 /nfs/dbraw/zinc/27/67/07/570276707.db2.gz XCIJEKLERRDJCQ-UHFFFAOYSA-N 0 0 386.485 6.381 50 0 GKAARN C[C@H](NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000024642710 570276849 /nfs/dbraw/zinc/27/68/49/570276849.db2.gz QCJOMDFUWSXIJS-AWEZNQCLSA-N 0 0 395.503 5.044 50 0 GKAARN FC(F)(F)c1cccc(CN2c3ccccc3Oc3nc4ccccc4nc32)c1 ZINC000002171587 570276907 /nfs/dbraw/zinc/27/69/07/570276907.db2.gz BYUHCMBRUNGFKP-UHFFFAOYSA-N 0 0 393.368 6.093 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000005213550 570277096 /nfs/dbraw/zinc/27/70/96/570277096.db2.gz ISIIICNBZCYHLM-GFCCVEGCSA-N 0 0 397.887 5.543 50 0 GKAARN O=Cc1cn(CCCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000002178254 570277214 /nfs/dbraw/zinc/27/72/14/570277214.db2.gz AILAINQKYBFIKG-UHFFFAOYSA-N 0 0 392.680 5.339 50 0 GKAARN CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002179121 570277315 /nfs/dbraw/zinc/27/73/15/570277315.db2.gz ZSYCKMHIYDELLN-UHFFFAOYSA-N 0 0 394.584 5.580 50 0 biogenic GKAARN CCCCc1ccc2nc(NC(=O)c3ccc(Br)o3)sc2c1 ZINC000002177837 570277320 /nfs/dbraw/zinc/27/73/20/570277320.db2.gz VZEYKHUSXMMBQZ-UHFFFAOYSA-N 0 0 379.279 5.247 50 0 GKAARN CSc1ccc(NC(=O)Oc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000002172796 570277353 /nfs/dbraw/zinc/27/73/53/570277353.db2.gz CLGBMFSDCLKADX-UHFFFAOYSA-N 0 0 394.334 6.079 50 0 GKAARN Cc1cc(C)cc(-c2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn32)c1 ZINC000002183267 570277462 /nfs/dbraw/zinc/27/74/62/570277462.db2.gz ZXLCXXMOMDYHMU-UHFFFAOYSA-N 0 0 398.919 5.437 50 0 GKAARN Cc1cccc(-c2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn32)c1 ZINC000002183286 570277510 /nfs/dbraw/zinc/27/75/10/570277510.db2.gz XKLJWXVFUQJSDN-UHFFFAOYSA-N 0 0 384.892 5.129 50 0 GKAARN CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002183012 570277543 /nfs/dbraw/zinc/27/75/43/570277543.db2.gz ZAIBVOIYMBRZCF-UHFFFAOYSA-N 0 0 384.570 5.464 50 0 GKAARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000002183031 570277551 /nfs/dbraw/zinc/27/75/51/570277551.db2.gz OPIOQEXYTWWMKZ-RUZDIDTESA-N 0 0 389.926 6.475 50 0 aggregator GKAARN COC(=O)c1ccc(Oc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000002183221 570277572 /nfs/dbraw/zinc/27/75/72/570277572.db2.gz OAFMGHUAONZPJE-UHFFFAOYSA-N 0 0 390.826 5.529 50 0 GKAARN Cc1cccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)c1 ZINC000015858690 570277608 /nfs/dbraw/zinc/27/76/08/570277608.db2.gz MNXCNADFHOBDJY-UHFFFAOYSA-N 0 0 379.463 5.095 50 0 GKAARN Clc1nnc(-c2ccccc2)c2c1nn(-c1ccccc1)c2-c1ccccc1 ZINC000002181155 570277599 /nfs/dbraw/zinc/27/75/99/570277599.db2.gz YMPIXJONFKOCRH-UHFFFAOYSA-N 0 0 382.854 5.803 50 0 GKAARN COc1ccc(CSc2nnc(S[C@@H](C)c3ccc(F)cc3)s2)cc1 ZINC000006149114 570277642 /nfs/dbraw/zinc/27/76/42/570277642.db2.gz NXUXPCZQFMSYFM-LBPRGKRZSA-N 0 0 392.546 5.831 50 0 GKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000002183438 570277840 /nfs/dbraw/zinc/27/78/40/570277840.db2.gz MJQQJRHMPSSODW-UHFFFAOYSA-N 0 0 384.570 5.608 50 0 GKAARN CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000002185707 570277845 /nfs/dbraw/zinc/27/78/45/570277845.db2.gz HEDJZDOJNIYZBT-OAQYLSRUSA-N 0 0 396.849 5.649 50 0 GKAARN CCOC(=O)c1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000006155080 570277869 /nfs/dbraw/zinc/27/78/69/570277869.db2.gz XNWXHESAXMABBS-UHFFFAOYSA-N 0 0 395.267 5.032 50 0 GKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)c(C)c1 ZINC000002184781 570277873 /nfs/dbraw/zinc/27/78/73/570277873.db2.gz SKXKEFAQJKGRCS-CYBMUJFWSA-N 0 0 383.513 5.284 50 0 GKAARN O=C(Oc1cccc(OC(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000002184200 570277878 /nfs/dbraw/zinc/27/78/78/570277878.db2.gz AOUKMTURJXNIPW-UHFFFAOYSA-N 0 0 387.218 5.432 50 0 GKAARN CCOC1=C([C@@H](c2ccccc2)c2ccc(Cl)cc2)c2cccc3cccc1c23 ZINC000002184573 570277909 /nfs/dbraw/zinc/27/79/09/570277909.db2.gz QDRQSWRAGVHKII-DEOSSOPVSA-N 0 0 396.917 7.544 50 0 GKAARN CCc1cccc(C)c1NC(=O)CCCOc1ccc(Br)cc1 ZINC000006152507 570277936 /nfs/dbraw/zinc/27/79/36/570277936.db2.gz WNFODJJTUNLULZ-UHFFFAOYSA-N 0 0 376.294 5.118 50 0 GKAARN O=C(c1ccccc1)[C@@H](Cn1cncn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000630031 570277974 /nfs/dbraw/zinc/27/79/74/570277974.db2.gz GVZXYAMGSRDROZ-VWNXMTODSA-N 0 0 399.519 5.311 50 0 GKAARN CCCSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)Nc1ccccc1-2 ZINC000002187844 570278112 /nfs/dbraw/zinc/27/81/12/570278112.db2.gz CSZROCMTBLSHSA-KRWDZBQOSA-N 0 0 384.892 5.197 50 0 GKAARN CC(C)c1ccccc1OCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006154054 570278191 /nfs/dbraw/zinc/27/81/91/570278191.db2.gz JSFUZMBEUWFKJI-UHFFFAOYSA-N 0 0 385.467 5.371 50 0 GKAARN CC(=O)N(c1nc(COC(=O)c2ccc(C)o2)cs1)c1c(C)cc(C)cc1C ZINC000024668155 570278322 /nfs/dbraw/zinc/27/83/22/570278322.db2.gz QKSISVOWGXBFTH-UHFFFAOYSA-N 0 0 398.484 5.011 50 0 GKAARN Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccccc4)cs2)[C@@H]3CCC1 ZINC000002192778 570278498 /nfs/dbraw/zinc/27/84/98/570278498.db2.gz YJHDJIKPDQRPFU-JOCHJYFZSA-N 0 0 385.536 5.971 50 0 GKAARN Cc1cccc(C)c1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000002206276 570278835 /nfs/dbraw/zinc/27/88/35/570278835.db2.gz GYVDHSCVMBTSBG-UHFFFAOYSA-N 0 0 388.880 5.031 50 0 GKAARN COC(=O)c1c(C=CNc2ccc(C)cc2)onc1-c1c(F)cccc1Cl ZINC000100915091 570278967 /nfs/dbraw/zinc/27/89/67/570278967.db2.gz DYGIVFUPTQJBIJ-ZHACJKMWSA-N 0 0 386.810 5.312 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(Nc2ccccc2F)s1 ZINC000012263936 570279429 /nfs/dbraw/zinc/27/94/29/570279429.db2.gz XESXQLZPXBCAAM-UHFFFAOYSA-N 0 0 398.488 5.677 50 0 GKAARN Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2N(CC(C)C)CC(C)C)cc1 ZINC000006167823 570279601 /nfs/dbraw/zinc/27/96/01/570279601.db2.gz SFDBPSKBXUHISD-HZHRSRAPSA-N 0 0 389.543 5.353 50 0 GKAARN O=C(Nc1nnc(Cc2ccccc2)s1)Nc1ccc(Cl)cc1Cl ZINC000002227452 570279788 /nfs/dbraw/zinc/27/97/88/570279788.db2.gz QPVJMXSFMVYUSQ-UHFFFAOYSA-N 0 0 379.272 5.080 50 0 GKAARN CCOC(=O)CCCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002242956 570280118 /nfs/dbraw/zinc/28/01/18/570280118.db2.gz NECFAZOOPVQHKD-UHFFFAOYSA-N 0 0 384.316 5.421 50 0 GKAARN CC(C)Oc1ccc([C@@H](CC(=O)Nc2nccs2)Cc2ccccc2)cc1 ZINC000002236250 570280151 /nfs/dbraw/zinc/28/01/51/570280151.db2.gz OMTIYJSOUQVELR-LJQANCHMSA-N 0 0 380.513 5.285 50 0 GKAARN Cc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000002250467 570280373 /nfs/dbraw/zinc/28/03/73/570280373.db2.gz WJZMGOCXNWRIDY-GBXCKJPGSA-N 0 0 384.523 6.204 50 0 GKAARN Cc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@H]2C)cc1 ZINC000002250466 570280510 /nfs/dbraw/zinc/28/05/10/570280510.db2.gz WJZMGOCXNWRIDY-HYBUGGRVSA-N 0 0 384.523 6.204 50 0 GKAARN Cc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@@H]2C)cc1 ZINC000002250465 570280518 /nfs/dbraw/zinc/28/05/18/570280518.db2.gz WJZMGOCXNWRIDY-RDPSFJRHSA-N 0 0 384.523 6.204 50 0 GKAARN O=C(NCCc1ccc(Cl)cc1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000015865706 570280525 /nfs/dbraw/zinc/28/05/25/570280525.db2.gz YEUWOZQEPARTRO-UHFFFAOYSA-N 0 0 385.250 5.260 50 0 GKAARN Cc1ccc(OCc2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 ZINC000000648242 570280660 /nfs/dbraw/zinc/28/06/60/570280660.db2.gz IGVFSEREXMKFIU-UHFFFAOYSA-N 0 0 387.508 5.447 50 0 GKAARN O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=O)N1c1cccc2ccccc21 ZINC000002269762 570280770 /nfs/dbraw/zinc/28/07/70/570280770.db2.gz TWNDHDRDQQNORO-AZUAARDMSA-N 0 0 394.883 5.076 50 0 GKAARN Cc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)c1 ZINC000002264290 570280778 /nfs/dbraw/zinc/28/07/78/570280778.db2.gz RFYJOMNVHCPCPY-UHFFFAOYSA-N 0 0 391.283 5.047 50 0 GKAARN CC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3c4ccccc4oc32)cc1 ZINC000015866582 570280805 /nfs/dbraw/zinc/28/08/05/570280805.db2.gz CWFVIRQWAVGYMH-UHFFFAOYSA-N 0 0 380.403 6.038 50 0 GKAARN CCCCCC(=O)N1c2ccc(OC)cc2-c2c(=S)ssc2C1(C)C ZINC000002274754 570280963 /nfs/dbraw/zinc/28/09/63/570280963.db2.gz HZYXYJULRHHXGB-UHFFFAOYSA-N 0 0 393.599 6.377 50 0 GKAARN CCc1ccc(C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002289136 570281234 /nfs/dbraw/zinc/28/12/34/570281234.db2.gz HUXUIHUTTGPOPG-MHZLTWQESA-N 0 0 383.535 6.384 50 0 GKAARN Cc1cc(C)c2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000002291142 570281316 /nfs/dbraw/zinc/28/13/16/570281316.db2.gz HEWUSCDZKTXGMH-UHFFFAOYSA-N 0 0 375.921 5.348 50 0 GKAARN CCSc1ccccc1CN(C)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173607 570281490 /nfs/dbraw/zinc/28/14/90/570281490.db2.gz JAQUOTFPBMZAJP-QHCPKHFHSA-N 0 0 388.536 5.324 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000002298383 570281588 /nfs/dbraw/zinc/28/15/88/570281588.db2.gz CAMDDIGKOLXJKG-UHFFFAOYSA-N 0 0 388.467 5.013 50 0 GKAARN Cc1nc2cc(Nc3nnc(C)c4ccccc43)ccc2n1Cc1ccccc1 ZINC000002296422 570281595 /nfs/dbraw/zinc/28/15/95/570281595.db2.gz AQCAMPKAFYAOON-UHFFFAOYSA-N 0 0 379.467 5.388 50 0 GKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1c(C)cccc1C ZINC000002301249 570281655 /nfs/dbraw/zinc/28/16/55/570281655.db2.gz VMKAAPUYRPXZIG-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000006178710 570282093 /nfs/dbraw/zinc/28/20/93/570282093.db2.gz PGMIUUAEEDRQFS-LSDHHAIUSA-N 0 0 380.517 5.105 50 0 GKAARN COc1ccc(CC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002313116 570282253 /nfs/dbraw/zinc/28/22/53/570282253.db2.gz JWTZNPDJPKLYSV-MHZLTWQESA-N 0 0 399.534 5.759 50 0 GKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O[C@H](C)C(=O)c1ccccc1 ZINC000002312914 570282277 /nfs/dbraw/zinc/28/22/77/570282277.db2.gz PMSKJEIGIASZKE-GOSISDBHSA-N 0 0 395.458 5.638 50 0 GKAARN O=C(CC1c2ccccc2CCc2ccccc21)N1CCC[C@H]1c1nccs1 ZINC000020854704 570282364 /nfs/dbraw/zinc/28/23/64/570282364.db2.gz JKGOAWIXARDMLR-QFIPXVFZSA-N 0 0 388.536 5.127 50 0 GKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc(C)c(C)c1 ZINC000015880474 570282430 /nfs/dbraw/zinc/28/24/30/570282430.db2.gz FZIHQTLKEYNPBS-UHFFFAOYSA-N 0 0 385.463 6.189 50 0 GKAARN O=C(Nc1cccc(Br)c1)C1c2ccccc2Oc2ccccc21 ZINC000002322235 570282537 /nfs/dbraw/zinc/28/25/37/570282537.db2.gz CTXTZRVJGGHRQE-UHFFFAOYSA-N 0 0 380.241 5.325 50 0 GKAARN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000002316773 570282592 /nfs/dbraw/zinc/28/25/92/570282592.db2.gz UVEWVZITIJTFHT-UHFFFAOYSA-N 0 0 393.259 6.312 50 0 GKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000043192466 570282643 /nfs/dbraw/zinc/28/26/43/570282643.db2.gz FKZAJJMROCENGV-LLVKDONJSA-N 0 0 395.406 5.420 50 0 GKAARN CCCC[C@H](CC)COC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC[C@@H](CC)CCCC ZINC000248291073 570282876 /nfs/dbraw/zinc/28/28/76/570282876.db2.gz SVVBLKNHJWTATO-FNAHDJPLSA-N 0 0 394.596 6.088 50 0 GKAARN CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccc(Br)cc2)o1 ZINC000015881547 570282898 /nfs/dbraw/zinc/28/28/98/570282898.db2.gz JNNSRJIJARDKIX-UHFFFAOYSA-N 0 0 396.288 5.626 50 0 GKAARN Cc1ccccc1N1C(=S)N=NC1c1cc(-c2ccccc2)nc2ccccc21 ZINC000002330357 570282970 /nfs/dbraw/zinc/28/29/70/570282970.db2.gz YSUGHXUAPHIIKO-UHFFFAOYSA-N 0 0 394.503 5.747 50 0 GKAARN CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(C)s1 ZINC000000651083 570282991 /nfs/dbraw/zinc/28/29/91/570282991.db2.gz OTOOTTHJISPUCQ-UHFFFAOYSA-N 0 0 396.299 5.536 50 0 aggregator GKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)c1 ZINC000006732786 570283013 /nfs/dbraw/zinc/28/30/13/570283013.db2.gz YPJKVVRYCTTZJB-UHFFFAOYSA-N 0 0 385.419 5.233 50 0 GKAARN O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000010694788 570283157 /nfs/dbraw/zinc/28/31/57/570283157.db2.gz QINUNXDHSMONBL-UHFFFAOYSA-N 0 0 376.915 5.992 50 0 GKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000101439395 570283232 /nfs/dbraw/zinc/28/32/32/570283232.db2.gz COIMEBZQMHXGSB-AVRWGWEMSA-N 0 0 397.478 5.719 50 0 GKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4C)ccc3Cl)nc2c1 ZINC000006765817 570283343 /nfs/dbraw/zinc/28/33/43/570283343.db2.gz MAYJCXRAIFXMNN-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000023323475 570283550 /nfs/dbraw/zinc/28/35/50/570283550.db2.gz KGSJTQRVTCQUBD-JOCHJYFZSA-N 0 0 377.871 5.137 50 0 GKAARN O=C(CSc1nnc(-c2ccccc2)o1)n1c2ccccc2c2ccccc21 ZINC000002342253 570283558 /nfs/dbraw/zinc/28/35/58/570283558.db2.gz RNJNMXYLRGIJFQ-UHFFFAOYSA-N 0 0 385.448 5.277 50 0 GKAARN CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)c1 ZINC000002343838 570283577 /nfs/dbraw/zinc/28/35/77/570283577.db2.gz CRSHOWARIAYYQD-UHFFFAOYSA-N 0 0 382.489 5.336 50 0 GKAARN C[C@H]1C[C@@H](N(C(=O)c2ccc(Cl)cc2)c2ccccc2)c2ccccc2N1 ZINC000002345554 570283665 /nfs/dbraw/zinc/28/36/65/570283665.db2.gz YUIKJRARMVTDTA-KSFYIVLOSA-N 0 0 376.887 5.932 50 0 GKAARN Cc1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CCCC3)c1C ZINC000006768617 570283811 /nfs/dbraw/zinc/28/38/11/570283811.db2.gz AQEKTUPDLOAJRT-QGZVFWFLSA-N 0 0 393.556 5.917 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](c1ccccc1)C(F)(F)F ZINC000002355043 570283923 /nfs/dbraw/zinc/28/39/23/570283923.db2.gz DJHJWHAOZRKTSH-QGZVFWFLSA-N 0 0 395.764 5.764 50 0 GKAARN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000012882860 570283960 /nfs/dbraw/zinc/28/39/60/570283960.db2.gz IWTPHPZTGJLXDC-UHFFFAOYSA-N 0 0 381.794 5.177 50 0 GKAARN COc1cccc([C@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000002351438 570283946 /nfs/dbraw/zinc/28/39/46/570283946.db2.gz XBBZLOKOMXVGTI-XMMPIXPASA-N 0 0 384.479 5.396 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl ZINC000101655490 570284236 /nfs/dbraw/zinc/28/42/36/570284236.db2.gz BFBWEKPADQPKTF-DDHJBXDOSA-N 0 0 393.141 5.788 50 0 GKAARN O=C(NCCc1ccc(Cl)cc1Cl)Nc1cc(F)c(F)cc1Cl ZINC000002358917 570284245 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O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002404392 570285910 /nfs/dbraw/zinc/28/59/10/570285910.db2.gz JYRZZIFTOZYKFG-UHFFFAOYSA-N 0 0 399.490 5.015 50 0 GKAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002407297 570286250 /nfs/dbraw/zinc/28/62/50/570286250.db2.gz NPSYEKFUWKDZNM-UHFFFAOYSA-N 0 0 399.490 5.015 50 0 GKAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3nc(C(C)C)cs3)C2)c1 ZINC000020992730 570286423 /nfs/dbraw/zinc/28/64/23/570286423.db2.gz MDPUOPODOUVKFU-GOSISDBHSA-N 0 0 386.561 5.149 50 0 GKAARN Cc1ccc(F)cc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000000660329 570286961 /nfs/dbraw/zinc/28/69/61/570286961.db2.gz KONSBFGKNWOEJT-UHFFFAOYSA-N 0 0 383.473 5.307 50 0 GKAARN CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000002443070 570287332 /nfs/dbraw/zinc/28/73/32/570287332.db2.gz FBOWVIRTGLTTIT-UHFFFAOYSA-N 0 0 394.327 5.476 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000021007143 570287611 /nfs/dbraw/zinc/28/76/11/570287611.db2.gz 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CC(C)c1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000004823967 570292231 /nfs/dbraw/zinc/29/22/31/570292231.db2.gz XNDAVQCBAYVLLQ-UHFFFAOYSA-N 0 0 397.950 5.689 50 0 GKAARN CCCc1nc2ccccc2c(C(=O)Nc2cc(OC)c(OC)cc2C)c1CC ZINC000012915217 570292362 /nfs/dbraw/zinc/29/23/62/570292362.db2.gz XRUFDIYFMSYALP-UHFFFAOYSA-N 0 0 392.499 5.328 50 0 GKAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(SC(F)F)cc1 ZINC000012916474 570292647 /nfs/dbraw/zinc/29/26/47/570292647.db2.gz SDNGYDHHRYYXHI-UHFFFAOYSA-N 0 0 375.440 5.092 50 0 GKAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cc2c(cccc2F)s1 ZINC000021600217 570293010 /nfs/dbraw/zinc/29/30/10/570293010.db2.gz VQYOFWBIZBTBHB-UHFFFAOYSA-N 0 0 385.851 5.191 50 0 GKAARN CN(Cc1c(F)cccc1Cl)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918038 570293370 /nfs/dbraw/zinc/29/33/70/570293370.db2.gz AMYCGADOGKMWGQ-IBGZPJMESA-N 0 0 399.893 5.018 50 0 GKAARN CC(C)c1ccc([C@@H]2SCCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000692285 570293595 /nfs/dbraw/zinc/29/35/95/570293595.db2.gz 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570294758 /nfs/dbraw/zinc/29/47/58/570294758.db2.gz WPIFMNJZRCDVEK-UHFFFAOYSA-N 0 0 385.714 5.080 50 0 GKAARN Cc1ccc(C(=O)N[C@@H](Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc1 ZINC000002672801 570294895 /nfs/dbraw/zinc/29/48/95/570294895.db2.gz QDJMLAGRWHTMNZ-QGZVFWFLSA-N 0 0 385.722 5.150 50 0 GKAARN Cc1sc2ncnc(SCC(=O)c3ccc(F)cc3)c2c1-c1ccccc1 ZINC000002679416 570294923 /nfs/dbraw/zinc/29/49/23/570294923.db2.gz UOFFYBFFCGWWCP-UHFFFAOYSA-N 0 0 394.496 5.781 50 0 GKAARN Cc1ccc(-c2csc3ncnc(Oc4cccc5ccc(C)nc54)c23)cc1 ZINC000002680183 570295132 /nfs/dbraw/zinc/29/51/32/570295132.db2.gz FPIUHAIIYASLPY-UHFFFAOYSA-N 0 0 383.476 6.316 50 0 aggregator GKAARN COc1cc2nc(C)n(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1OC ZINC000000704326 570295344 /nfs/dbraw/zinc/29/53/44/570295344.db2.gz APGNKAOAQKOKIC-UHFFFAOYSA-N 0 0 396.531 5.652 50 0 GKAARN O=C(NCc1ccco1)c1oc2ccccc2c1CSCc1ccccc1 ZINC000006889928 570295611 /nfs/dbraw/zinc/29/56/11/570295611.db2.gz WLTJRGOVOJGJIW-UHFFFAOYSA-N 0 0 377.465 5.389 50 0 GKAARN CCCCCNc1cc(C)nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn21 ZINC000021799207 570296238 /nfs/dbraw/zinc/29/62/38/570296238.db2.gz NHRDAJMZCSVGCQ-UHFFFAOYSA-N 0 0 380.389 5.465 50 0 GKAARN O=C(CSc1ccc(Cl)cn1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000119705683 570296233 /nfs/dbraw/zinc/29/62/33/570296233.db2.gz YDTRHNMLASFSDB-UHFFFAOYSA-N 0 0 382.099 5.426 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000021801083 570296277 /nfs/dbraw/zinc/29/62/77/570296277.db2.gz ARFWQYCWIFHZLE-UHFFFAOYSA-N 0 0 387.874 5.065 50 0 GKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000004830048 570296611 /nfs/dbraw/zinc/29/66/11/570296611.db2.gz YHVRRYGTWFFDBM-LJQANCHMSA-N 0 0 377.444 5.174 50 0 GKAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1F)O2 ZINC000216147255 570296684 /nfs/dbraw/zinc/29/66/84/570296684.db2.gz PEJJIBRLRZSBPT-LADGPHEKSA-N 0 0 388.442 5.467 50 0 GKAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(F)cc1)O2 ZINC000216147544 570296688 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CCOC(=O)c1c2c(sc1NC(=O)c1ccco1)C[C@H](c1ccccc1)CC2 ZINC000023331833 570319244 /nfs/dbraw/zinc/31/92/44/570319244.db2.gz KVIGCARNFSHIEI-OAHLLOKOSA-N 0 0 395.480 5.043 50 0 GKAARN Cc1cc(C)n(-c2ncnc3scc(-c4ccc(-c5ccccc5)cc4)c32)n1 ZINC000006189284 570319270 /nfs/dbraw/zinc/31/92/70/570319270.db2.gz FQWXLGBCBQWUQA-UHFFFAOYSA-N 0 0 382.492 5.828 50 0 GKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002949667 570319442 /nfs/dbraw/zinc/31/94/42/570319442.db2.gz KQCZIMJNKUNRAX-UHFFFAOYSA-N 0 0 378.884 5.798 50 0 GKAARN CCOC(=O)[C@H](Cc1ccccc1)c1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC000072233841 570319497 /nfs/dbraw/zinc/31/94/97/570319497.db2.gz XAZFCJCILSUPOA-OAQYLSRUSA-N 0 0 390.527 5.118 50 0 GKAARN O=C(Nc1cccc(Br)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002950647 570319562 /nfs/dbraw/zinc/31/95/62/570319562.db2.gz KLYBOTSYYBSPLG-IBGZPJMESA-N 0 0 398.325 5.921 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl ZINC000002947997 570319587 /nfs/dbraw/zinc/31/95/87/570319587.db2.gz 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ZINC000034717182 570320089 /nfs/dbraw/zinc/32/00/89/570320089.db2.gz BGSDIUPBLISDMK-UHFFFAOYSA-N 0 0 398.915 5.182 50 0 GKAARN Cc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3)n1)[C@H](C)CC(C)(C)N2 ZINC000575473281 570320164 /nfs/dbraw/zinc/32/01/64/570320164.db2.gz QRKYXQDDIOKQOX-OAHLLOKOSA-N 0 0 392.934 6.547 50 0 GKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 ZINC000002960699 570320162 /nfs/dbraw/zinc/32/01/62/570320162.db2.gz YPKSJRQMBFLRDS-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN Cc1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@@H]4C)cc1 ZINC000575473324 570320345 /nfs/dbraw/zinc/32/03/45/570320345.db2.gz ZYYBGLNWMRGQBR-HNNXBMFYSA-N 0 0 375.468 5.054 50 0 GKAARN Cc1cc2c(cc1-c1ccnc3nc(Cc4ccccc4)nn31)[C@@H](C)CC(C)(C)N2 ZINC000575473259 570320348 /nfs/dbraw/zinc/32/03/48/570320348.db2.gz PRDPUNRNTZRIBK-KRWDZBQOSA-N 0 0 397.526 5.388 50 0 GKAARN Cc1cc2c(cc1-c1ccnc3nc(-c4cccs4)nn31)[C@@H](C)CC(C)(C)N2 ZINC000575473263 570320364 /nfs/dbraw/zinc/32/03/64/570320364.db2.gz PTYBVPOFEWTYRB-AWEZNQCLSA-N 0 0 389.528 5.526 50 0 GKAARN COc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1 ZINC000002963451 570320461 /nfs/dbraw/zinc/32/04/61/570320461.db2.gz ZWQLTOJRTVSXQA-UHFFFAOYSA-N 0 0 383.384 5.990 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000002969946 570320894 /nfs/dbraw/zinc/32/08/94/570320894.db2.gz JRYAELSMBGUXHQ-VZUCSPMQSA-N 0 0 375.299 5.636 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)sc2c1 ZINC000002969794 570320906 /nfs/dbraw/zinc/32/09/06/570320906.db2.gz YWWGYUGHJHCNNT-UHFFFAOYSA-N 0 0 392.911 6.106 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000002976643 570321239 /nfs/dbraw/zinc/32/12/39/570321239.db2.gz PUZVWJPDHDZZNT-UONOGXRCSA-N 0 0 375.082 5.519 50 0 GKAARN CCCn1c(=O)c2ccccc2nc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000014673056 570321339 /nfs/dbraw/zinc/32/13/39/570321339.db2.gz FILMIRQVDXWTGT-UHFFFAOYSA-N 0 0 399.825 5.025 50 0 GKAARN Cc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1 ZINC000002973320 570321321 /nfs/dbraw/zinc/32/13/21/570321321.db2.gz WSQCRTDILHXXIX-XYOKQWHBSA-N 0 0 388.854 6.109 50 0 GKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000002970807 570321360 /nfs/dbraw/zinc/32/13/60/570321360.db2.gz MSBMXZXXUIUNGX-UHFFFAOYSA-N 0 0 399.277 5.427 50 0 GKAARN O=C(c1ccccc1C(F)(F)F)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023335506 570321402 /nfs/dbraw/zinc/32/14/02/570321402.db2.gz DAMIVAMOUNCKFQ-NRFANRHFSA-N 0 0 399.387 5.632 50 0 GKAARN O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1ccc2ccccc2c1 ZINC000023336518 570321413 /nfs/dbraw/zinc/32/14/13/570321413.db2.gz KYAJTKBZHIQCFV-XMMPIXPASA-N 0 0 395.458 5.366 50 0 GKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000002978586 570321616 /nfs/dbraw/zinc/32/16/16/570321616.db2.gz DBDBWLLKSZPNSJ-UHFFFAOYSA-N 0 0 392.669 6.691 50 0 GKAARN CCSc1nnc2c(n1)O[C@@H](c1c(C)cc(C)cc1C)Nc1ccccc1-2 ZINC000002978346 570321655 /nfs/dbraw/zinc/32/16/55/570321655.db2.gz YFRMUHSYVDVRSA-IBGZPJMESA-N 0 0 378.501 5.079 50 0 GKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000002979226 570321905 /nfs/dbraw/zinc/32/19/05/570321905.db2.gz IMCIWGGRSLLYMS-LBPRGKRZSA-N 0 0 386.369 5.383 50 0 GKAARN COc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000002978970 570321925 /nfs/dbraw/zinc/32/19/25/570321925.db2.gz ANSUPHKOTUFUGK-UHFFFAOYSA-N 0 0 381.859 5.488 50 0 GKAARN CC(C)=C[C@H]1[C@@H](C(=O)N(C)C2(C(=O)Nc3ccccc3)CCCCC2)C1(C)C ZINC000075279139 570321928 /nfs/dbraw/zinc/32/19/28/570321928.db2.gz BZOLXBWGQZZZSE-PMACEKPBSA-N 0 0 382.548 5.025 50 0 GKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(Cl)c1 ZINC000016285095 570322014 /nfs/dbraw/zinc/32/20/14/570322014.db2.gz BCSLQMAUGNUSGJ-FQEVSTJZSA-N 0 0 375.859 5.900 50 0 GKAARN CCOc1ccc(NC[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1 ZINC000002979974 570322206 /nfs/dbraw/zinc/32/22/06/570322206.db2.gz IOTQCHCYDGUCGP-GOSISDBHSA-N 0 0 392.524 5.161 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002982592 570322446 /nfs/dbraw/zinc/32/24/46/570322446.db2.gz WQJVBZNGHKEMRY-UHFFFAOYSA-N 0 0 394.883 5.634 50 0 GKAARN CCOc1ccc(NC(=O)CCC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000002982663 570322452 /nfs/dbraw/zinc/32/24/52/570322452.db2.gz VWMWIUGCSQEYOJ-UHFFFAOYSA-N 0 0 389.451 5.479 50 0 GKAARN COc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000002982723 570322455 /nfs/dbraw/zinc/32/24/55/570322455.db2.gz JYLKDEBTFDGTAT-UHFFFAOYSA-N 0 0 397.927 5.571 50 0 GKAARN COc1ccc(-c2sc(NC(=O)c3cccs3)nc2-c2ccccc2)cc1 ZINC000002982380 570322514 /nfs/dbraw/zinc/32/25/14/570322514.db2.gz PBYYWFNOHZMWIQ-UHFFFAOYSA-N 0 0 392.505 5.800 50 0 GKAARN O=C(/C(=C/c1ccco1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002982456 570322533 /nfs/dbraw/zinc/32/25/33/570322533.db2.gz XQZSWUGKURFWEE-LGUFXXKBSA-N 0 0 393.486 6.049 50 0 GKAARN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1cc(C)ccc1C ZINC000002983131 570322687 /nfs/dbraw/zinc/32/26/87/570322687.db2.gz SOQFXDGSBGAYIJ-UHFFFAOYSA-N 0 0 384.932 6.285 50 0 GKAARN O=C(CSCCOc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl ZINC000023412220 570322837 /nfs/dbraw/zinc/32/28/37/570322837.db2.gz QVUCLBRSOYNASA-UHFFFAOYSA-N 0 0 390.719 5.398 50 0 GKAARN C/C=C/c1ccc(OCCOCCOc2ccc(Cl)c(C)c2)c(OC)c1 ZINC000002985292 570322974 /nfs/dbraw/zinc/32/29/74/570322974.db2.gz ANPBRWRDVMUWHV-SNAWJCMRSA-N 0 0 376.880 5.165 50 0 GKAARN CCCOc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000002984761 570322999 /nfs/dbraw/zinc/32/29/99/570322999.db2.gz ADBPFQNKRNEEFX-UHFFFAOYSA-N 0 0 378.453 5.449 50 0 GKAARN CCOc1ccc(OCCOCCOc2c(C)cc(Cl)cc2Cl)cc1 ZINC000002984838 570323018 /nfs/dbraw/zinc/32/30/18/570323018.db2.gz QWDXGWKUSXPLGJ-UHFFFAOYSA-N 0 0 385.287 5.175 50 0 GKAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)N(c1ccccc1)c1ccccc1 ZINC000002986568 570323258 /nfs/dbraw/zinc/32/32/58/570323258.db2.gz XHUIPHHDBJYSDL-UHFFFAOYSA-N 0 0 393.442 6.255 50 0 GKAARN Cc1ccc2oc(CN(Cc3ccccc3Cl)C(=O)c3ccccc3)nc2c1 ZINC000023436173 570323344 /nfs/dbraw/zinc/32/33/44/570323344.db2.gz WLWORRKJOAFMRP-UHFFFAOYSA-N 0 0 390.870 5.632 50 0 GKAARN O=C(NCCSc1ccccc1)c1ccc(CSc2ccccc2)cc1 ZINC000002985827 570323343 /nfs/dbraw/zinc/32/33/43/570323343.db2.gz IUQKXPVKKARKGM-UHFFFAOYSA-N 0 0 379.550 5.501 50 0 GKAARN Clc1ccc(OCCCOc2cccc3cccnc32)c(Br)c1 ZINC000002985924 570323347 /nfs/dbraw/zinc/32/33/47/570323347.db2.gz BNXNBWCCWUEHPO-UHFFFAOYSA-N 0 0 392.680 5.499 50 0 GKAARN COc1cccc(OC)c1OCCCCOc1c(C)cc(Cl)cc1Cl ZINC000002986996 570323396 /nfs/dbraw/zinc/32/33/96/570323396.db2.gz MTAQPYGMFPBGLN-UHFFFAOYSA-N 0 0 385.287 5.557 50 0 GKAARN Cc1cc2occ(CC(=O)OCc3nc(-c4cccc(Cl)c4)no3)c2cc1C ZINC000007973804 570323456 /nfs/dbraw/zinc/32/34/56/570323456.db2.gz HQRKOYHPWSQXNI-UHFFFAOYSA-N 0 0 396.830 5.039 50 0 GKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023433459 570323508 /nfs/dbraw/zinc/32/35/08/570323508.db2.gz QNGMMOGJSUCTAK-HSZRJFAPSA-N 0 0 393.490 5.551 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002988915 570323672 /nfs/dbraw/zinc/32/36/72/570323672.db2.gz AZHSDNJJLBRMCO-MBSDFSHPSA-N 0 0 375.537 6.672 50 0 GKAARN Cc1ccc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000002988159 570323675 /nfs/dbraw/zinc/32/36/75/570323675.db2.gz JOCKKLFZMNIHHR-UHFFFAOYSA-N 0 0 393.577 6.159 50 0 GKAARN Cc1ccc(Cc2nc(CSc3nc4cc(Cl)ccc4o3)cs2)cc1 ZINC000023429307 570323755 /nfs/dbraw/zinc/32/37/55/570323755.db2.gz YOBHDZRROGNMQX-UHFFFAOYSA-N 0 0 386.929 6.129 50 0 GKAARN COc1ccccc1Oc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000016303509 570323791 /nfs/dbraw/zinc/32/37/91/570323791.db2.gz KRGSTBWQUQKIBE-UHFFFAOYSA-N 0 0 393.414 5.228 50 0 GKAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1occc1-c1ccccc1 ZINC000022619751 570323887 /nfs/dbraw/zinc/32/38/87/570323887.db2.gz KXHQAXMZJFIEEI-OAQYLSRUSA-N 0 0 394.902 5.167 50 0 GKAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1occc1-c1ccccc1 ZINC000022619753 570323965 /nfs/dbraw/zinc/32/39/65/570323965.db2.gz KXHQAXMZJFIEEI-NRFANRHFSA-N 0 0 394.902 5.167 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 ZINC000002992889 570323995 /nfs/dbraw/zinc/32/39/95/570323995.db2.gz AMMHCCAPYWCRBQ-UHFFFAOYSA-N 0 0 388.467 5.288 50 0 GKAARN CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023442607 570323973 /nfs/dbraw/zinc/32/39/73/570323973.db2.gz RBWANLAEEAWCNB-UHFFFAOYSA-N 0 0 399.515 6.480 50 0 GKAARN CCOc1ccccc1-c1nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2o1 ZINC000023440316 570323993 /nfs/dbraw/zinc/32/39/93/570323993.db2.gz LJCCYHKFZKZYNI-UHFFFAOYSA-N 0 0 383.369 6.579 50 0 GKAARN COc1ccc(-c2cc(NC(=O)c3ccccc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000023442662 570324000 /nfs/dbraw/zinc/32/40/00/570324000.db2.gz VOCJXPAMSAPJLX-UHFFFAOYSA-N 0 0 383.451 5.109 50 0 GKAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)C1 ZINC000023439994 570324008 /nfs/dbraw/zinc/32/40/08/570324008.db2.gz OUCADHMRPMFWCA-GOSISDBHSA-N 0 0 395.506 5.769 50 0 GKAARN COc1cc(C)ccc1OCCCOc1c(C)cc(Br)cc1C ZINC000002991417 570324012 /nfs/dbraw/zinc/32/40/12/570324012.db2.gz XZWKGPLRJCRSTP-UHFFFAOYSA-N 0 0 379.294 5.231 50 0 GKAARN Clc1ccc(OCCCn2c3ccccc3c3ccccc32)c2ccccc12 ZINC000002992046 570324030 /nfs/dbraw/zinc/32/40/30/570324030.db2.gz OTGPODBFZVVTPZ-UHFFFAOYSA-N 0 0 385.894 7.070 50 0 GKAARN COc1ccc(-c2ccc3nc(-c4ccccc4C)oc3c2)c(OC)c1OC ZINC000023442760 570324029 /nfs/dbraw/zinc/32/40/29/570324029.db2.gz OQWIDLNXDYTJRA-UHFFFAOYSA-N 0 0 375.424 5.496 50 0 biogenic GKAARN CCc1ccc(C(=O)N(Cc2nc3cc(C)ccc3o2)Cc2ccc(C)cc2)cc1 ZINC000023439207 570324101 /nfs/dbraw/zinc/32/41/01/570324101.db2.gz SSWLILJNRTZLNZ-UHFFFAOYSA-N 0 0 398.506 5.850 50 0 GKAARN Fc1ccc(Cc2nc(CSc3ccc4ccccc4c3)cs2)c(Cl)c1 ZINC000023440477 570324108 /nfs/dbraw/zinc/32/41/08/570324108.db2.gz TYOATXPJSCBJAY-UHFFFAOYSA-N 0 0 399.943 6.972 50 0 GKAARN O=C(Nc1ccccc1Cc1ccccc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000043333975 570324246 /nfs/dbraw/zinc/32/42/46/570324246.db2.gz ADUSNILQFSUDLS-UHFFFAOYSA-N 0 0 398.506 5.404 50 0 GKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1ccccc1Cl ZINC000002993213 570324276 /nfs/dbraw/zinc/32/42/76/570324276.db2.gz FAUXGVXYMOEESK-UHFFFAOYSA-N 0 0 392.669 6.691 50 0 GKAARN Fc1cc(F)c(F)c(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)c1 ZINC000023447649 570324302 /nfs/dbraw/zinc/32/43/02/570324302.db2.gz SBYVBGPSQZBPKX-UHFFFAOYSA-N 0 0 393.286 6.598 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N3Cc4ccccc4C3)cc2)c1 ZINC000023445423 570324372 /nfs/dbraw/zinc/32/43/72/570324372.db2.gz SADCEFMBOULHFZ-UHFFFAOYSA-N 0 0 393.490 5.312 50 0 GKAARN C(=C\c1ccccc1)\CSc1nnc(SC/C=C\c2ccccc2)s1 ZINC000006192832 570324728 /nfs/dbraw/zinc/32/47/28/570324728.db2.gz NHXOMVFJTPLHEF-PVRNWPCDSA-N 0 0 382.579 6.149 50 0 GKAARN O=c1c2cc(Cl)ccc2nc(-c2cnc3ccccc3c2)n1Cc1ccccc1 ZINC000023453815 570324789 /nfs/dbraw/zinc/32/47/89/570324789.db2.gz ATUZQBHMTAYFBN-UHFFFAOYSA-N 0 0 397.865 5.313 50 0 GKAARN C[C@H](c1ccccc1)[C@@H]1Nc2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002998878 570325164 /nfs/dbraw/zinc/32/51/64/570325164.db2.gz VKSTVABDPQFJCU-QVKFZJNVSA-N 0 0 396.412 5.908 50 0 GKAARN CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(Cl)c3C)n2)s1 ZINC000002998751 570325168 /nfs/dbraw/zinc/32/51/68/570325168.db2.gz JATUPHDRWJSURU-UHFFFAOYSA-N 0 0 378.910 5.239 50 0 GKAARN CCCc1ccc(OCCNC(=O)[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000002999734 570325461 /nfs/dbraw/zinc/32/54/61/570325461.db2.gz PBFMAXLSNRHKHQ-RUZDIDTESA-N 0 0 387.523 5.161 50 0 GKAARN CCCCOc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000002999753 570325517 /nfs/dbraw/zinc/32/55/17/570325517.db2.gz ROZCCYVBBJKOAO-UHFFFAOYSA-N 0 0 386.904 5.895 50 0 GKAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(Cl)c(Cl)c1 ZINC000002999941 570325522 /nfs/dbraw/zinc/32/55/22/570325522.db2.gz DWXVOOOMRAVHOT-UHFFFAOYSA-N 0 0 378.255 5.677 50 0 GKAARN COc1ccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc32)cc1OC ZINC000007974035 570325600 /nfs/dbraw/zinc/32/56/00/570325600.db2.gz GYQOCVVQAAFITQ-UHFFFAOYSA-N 0 0 381.432 5.258 50 0 GKAARN CCCCc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 ZINC000003002170 570325746 /nfs/dbraw/zinc/32/57/46/570325746.db2.gz PIYWLXBBRVOSJM-UHFFFAOYSA-N 0 0 376.294 5.118 50 0 GKAARN CCCC(=O)N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl ZINC000003014749 570326158 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CC(C)CC(=O)N[C@H](Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003051309 570326948 /nfs/dbraw/zinc/32/69/48/570326948.db2.gz IVVHHQMBVRFMOJ-GFCCVEGCSA-N 0 0 392.541 5.264 50 0 GKAARN FC(F)Oc1ccc(-n2c(=S)[nH]cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000026424401 570327115 /nfs/dbraw/zinc/32/71/15/570327115.db2.gz CCFUFOVWDSEOKJ-UHFFFAOYSA-N 0 0 387.238 6.110 50 0 GKAARN CC(C)CC(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000003051362 570327146 /nfs/dbraw/zinc/32/71/46/570327146.db2.gz GXPGVJNNZAKIEM-LBPRGKRZSA-N 0 0 375.148 5.291 50 0 GKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000003058409 570327172 /nfs/dbraw/zinc/32/71/72/570327172.db2.gz OEUOSTAKBLJKCF-XMMPIXPASA-N 0 0 383.535 6.173 50 0 GKAARN O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21 ZINC000001680138 570327501 /nfs/dbraw/zinc/32/75/01/570327501.db2.gz ZQXZUOJNJXNUEO-UHFFFAOYSA-N 0 0 386.450 5.739 50 0 GKAARN CCn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccc2ncsc2c1 ZINC000008654278 570327731 /nfs/dbraw/zinc/32/77/31/570327731.db2.gz 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CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1cccc(Cl)c1 ZINC000034795789 570337420 /nfs/dbraw/zinc/33/74/20/570337420.db2.gz MBVTZEUGPGTRSQ-UHFFFAOYSA-N 0 0 381.907 5.842 50 0 GKAARN CC(C)(C)c1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Cc2ccc(F)cc2)cc1 ZINC000034795836 570337425 /nfs/dbraw/zinc/33/74/25/570337425.db2.gz QRKUGBBECJFGHS-UHFFFAOYSA-N 0 0 391.490 5.572 50 0 GKAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2Cl)c1 ZINC000034796184 570337851 /nfs/dbraw/zinc/33/78/51/570337851.db2.gz RLPOAVJUWZRHOL-UHFFFAOYSA-N 0 0 383.879 5.190 50 0 GKAARN CCCCCc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O ZINC000011691913 570338952 /nfs/dbraw/zinc/33/89/52/570338952.db2.gz KFTAQPSORWTRTC-UHFFFAOYSA-N 0 0 378.443 6.695 50 0 GKAARN Cc1ccc(C(=O)NCCCNc2nc3ccccc3n2C2CCCCC2)cc1 ZINC000034906822 570339277 /nfs/dbraw/zinc/33/92/77/570339277.db2.gz IFYAUTQDUCKJLA-UHFFFAOYSA-N 0 0 390.531 5.082 50 0 GKAARN CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907757 570339748 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CCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1 ZINC000034908338 570340115 /nfs/dbraw/zinc/34/01/15/570340115.db2.gz ZRKCRIPKRFWRKT-QGZVFWFLSA-N 0 0 388.389 5.587 50 0 GKAARN CC(C)CC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908132 570340118 /nfs/dbraw/zinc/34/01/18/570340118.db2.gz KTVMAIRNXYWXSU-LJQANCHMSA-N 0 0 384.426 5.483 50 0 GKAARN O=C(C1CCCC1)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908026 570340119 /nfs/dbraw/zinc/34/01/19/570340119.db2.gz NUPIIBTXUIRQMH-FQEVSTJZSA-N 0 0 396.437 5.627 50 0 GKAARN CCCCNC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034908560 570340120 /nfs/dbraw/zinc/34/01/20/570340120.db2.gz HMQUOYHPXQBLNS-HXUWFJFHSA-N 0 0 377.488 5.450 50 0 GKAARN O=C(c1cccs1)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908166 570340132 /nfs/dbraw/zinc/34/01/32/570340132.db2.gz VKYHSXYUPNHHOR-SFHVURJKSA-N 0 0 392.455 5.673 50 0 GKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2Cc2ccccc2)cc1 ZINC000035325773 570340161 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ZINC000003954086 570353902 /nfs/dbraw/zinc/35/39/02/570353902.db2.gz YXZVCZUDUJEPPK-KEDHGVEWSA-N 0 0 390.608 5.596 50 0 GKAARN O=C1NC(=O)C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)S1 ZINC000006270142 570353959 /nfs/dbraw/zinc/35/39/59/570353959.db2.gz RMRWYBFXCKVROQ-CIAFOILYSA-N 0 0 384.460 5.167 50 0 GKAARN O=C(c1ccccc1)c1ccc(/C=C\c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000033467786 570354086 /nfs/dbraw/zinc/35/40/86/570354086.db2.gz KYCXUAOJPCSXKB-QXMHVHEDSA-N 0 0 388.466 6.319 50 0 GKAARN Fc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)n2)cc1 ZINC000004010475 570354165 /nfs/dbraw/zinc/35/41/65/570354165.db2.gz AIFGUAMFAWKBQN-HSZRJFAPSA-N 0 0 399.494 6.305 50 0 GKAARN COc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000004011678 570354273 /nfs/dbraw/zinc/35/42/73/570354273.db2.gz UZCMWXUQALROOB-UJZCAVEWSA-N 0 0 384.479 5.725 50 0 GKAARN CCC(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 ZINC000006267353 570354383 /nfs/dbraw/zinc/35/43/83/570354383.db2.gz XQOXQKZFJKEDMQ-UHFFFAOYSA-N 0 0 389.451 5.398 50 0 GKAARN Clc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1Cl ZINC000004011989 570354399 /nfs/dbraw/zinc/35/43/99/570354399.db2.gz WIQWLODHWXEDMJ-HRBBJJPOSA-N 0 0 393.317 7.014 50 0 GKAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCc2sc(Cl)cc2C1 ZINC000575615751 570355021 /nfs/dbraw/zinc/35/50/21/570355021.db2.gz HMKKJDMFUNRGEN-UHFFFAOYSA-N 0 0 381.884 5.224 50 0 GKAARN CCCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1cccc(C)c1 ZINC000004886407 570355214 /nfs/dbraw/zinc/35/52/14/570355214.db2.gz YBIFCCKFGIYAFZ-UHFFFAOYSA-N 0 0 390.508 5.823 50 0 GKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(N3CCCCC3)cc2)n1 ZINC000004885734 570355271 /nfs/dbraw/zinc/35/52/71/570355271.db2.gz WQEFQEFTODPPFA-UHFFFAOYSA-N 0 0 398.514 5.166 50 0 GKAARN CCCCSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(OCC)cc1 ZINC000004883110 570355901 /nfs/dbraw/zinc/35/59/01/570355901.db2.gz ZDENVDCNDZUPFI-PGMHBOJBSA-N 0 0 394.540 5.671 50 0 GKAARN CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000004882896 570355937 /nfs/dbraw/zinc/35/59/37/570355937.db2.gz FAKYJINAESTYAF-WQRHYEAKSA-N 0 0 386.904 5.154 50 0 GKAARN CCSC1=N/C(=C/c2ccc(CC)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883161 570355971 /nfs/dbraw/zinc/35/59/71/570355971.db2.gz VKXQDAYDFSMAGT-QGOAFFKASA-N 0 0 384.932 5.708 50 0 GKAARN CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C[C@@H](C)CC)cc2)cc1 ZINC000004060382 570356006 /nfs/dbraw/zinc/35/60/06/570356006.db2.gz PKXRAWJQFHZHSI-DOIQENQNSA-N 0 0 394.555 6.853 50 0 GKAARN O=C(Nc1ccccc1Cl)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]2ON1c1ccccc1 ZINC000004888444 570356486 /nfs/dbraw/zinc/35/64/86/570356486.db2.gz RYPWPELNYBBKEN-NYVOZVTQSA-N 0 0 390.870 5.013 50 0 GKAARN CCCCP(=O)(CCCC)CCCCP(=O)(CCCC)CCCC ZINC000004091429 570357079 /nfs/dbraw/zinc/35/70/79/570357079.db2.gz AACWFWJILLHECE-UHFFFAOYSA-N 0 0 378.518 7.693 50 0 GKAARN Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)cc2)cc1C ZINC000004890906 570357242 /nfs/dbraw/zinc/35/72/42/570357242.db2.gz JVISPFYIEQFDET-UHFFFAOYSA-N 0 0 399.947 5.266 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3cc(C)cc(C)c3)nc3ccccc32)cc1 ZINC000035429745 570357524 /nfs/dbraw/zinc/35/75/24/570357524.db2.gz KIHLOZGRIQQOTC-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccccc3Cl)nc3ccccc32)cc1 ZINC000035429676 570357557 /nfs/dbraw/zinc/35/75/57/570357557.db2.gz FXRWTRQTIXEWFX-UHFFFAOYSA-N 0 0 388.858 5.588 50 0 GKAARN CCCCCc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)nc1 ZINC000004891622 570357584 /nfs/dbraw/zinc/35/75/84/570357584.db2.gz KGUHKQQMJIGBFK-UHFFFAOYSA-N 0 0 393.571 7.107 50 0 GKAARN O=C(Nc1ccc(Cl)cc1F)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429954 570357974 /nfs/dbraw/zinc/35/79/74/570357974.db2.gz IHCLGDGDZJKRIZ-UHFFFAOYSA-N 0 0 392.821 5.418 50 0 GKAARN CSc1cccc(NC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000035429929 570358016 /nfs/dbraw/zinc/35/80/16/570358016.db2.gz UPVSRAGBKRLEJV-UHFFFAOYSA-N 0 0 386.480 5.348 50 0 GKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(C)c1C)C(C)(C)N2 ZINC000004117429 570358078 /nfs/dbraw/zinc/35/80/78/570358078.db2.gz GSFADXHYSYBKDN-XDOYNYLZSA-N 0 0 382.554 5.995 50 0 GKAARN O=C([O-])[C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000004118415 570358191 /nfs/dbraw/zinc/35/81/91/570358191.db2.gz RVYGDARILBXHBS-OAQYLSRUSA-N 0 0 399.918 5.204 50 0 GKAARN Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Br ZINC000004122575 570358402 /nfs/dbraw/zinc/35/84/02/570358402.db2.gz WUNJNMFYKHVUJR-XVNBXDOJSA-N 0 0 386.076 5.111 50 0 GKAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000004123039 570358450 /nfs/dbraw/zinc/35/84/50/570358450.db2.gz CBRKSRFKQPAPBP-IBGZPJMESA-N 0 0 380.532 5.454 50 0 GKAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc3ccccc32)cc1 ZINC000033497513 570358742 /nfs/dbraw/zinc/35/87/42/570358742.db2.gz BKVURRKLKWSVJA-DEOSSOPVSA-N 0 0 381.479 5.587 50 0 GKAARN CCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1ccc(F)cc1 ZINC000004899922 570359129 /nfs/dbraw/zinc/35/91/29/570359129.db2.gz JNILABYWDAVXBR-UHFFFAOYSA-N 0 0 380.444 5.264 50 0 GKAARN CC(=O)N(CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000000810525 570359360 /nfs/dbraw/zinc/35/93/60/570359360.db2.gz JAZNZAFCHUHFCY-FGZHOGPDSA-N 0 0 383.532 5.082 50 0 biogenic GKAARN COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000004146202 570359867 /nfs/dbraw/zinc/35/98/67/570359867.db2.gz MEHSIEASXOREMU-LJQANCHMSA-N 0 0 382.891 5.553 50 0 GKAARN CCCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1cccc(C)c1 ZINC000004900891 570360031 /nfs/dbraw/zinc/36/00/31/570360031.db2.gz NGOOKESWKYDIHP-UHFFFAOYSA-N 0 0 390.508 5.823 50 0 GKAARN Cc1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)c1C ZINC000035446347 570360039 /nfs/dbraw/zinc/36/00/39/570360039.db2.gz VUZHNFFSJRBICV-UHFFFAOYSA-N 0 0 393.450 5.707 50 0 GKAARN CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Cl)c1OC(C)=O ZINC000004151020 570360094 /nfs/dbraw/zinc/36/00/94/570360094.db2.gz ITOZZWUUPKEWLF-VQHVLOKHSA-N 0 0 383.831 5.088 50 0 GKAARN C[C@H]1CCCCN1C(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901432 570360263 /nfs/dbraw/zinc/36/02/63/570360263.db2.gz JGEMQPSZJOIMLS-AWEZNQCLSA-N 0 0 388.964 5.260 50 0 GKAARN CC(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc31)CC[C@@H](C)C2 ZINC000004164111 570360472 /nfs/dbraw/zinc/36/04/72/570360472.db2.gz HCCMATUOZLKGGX-CYBMUJFWSA-N 0 0 378.497 5.237 50 0 GKAARN Cc1c(C(c2c(C)n(C)c3ccccc32)c2ccccc2F)c2ccccc2n1C ZINC000004162641 570360488 /nfs/dbraw/zinc/36/04/88/570360488.db2.gz JQPLPVBDONKPGE-UHFFFAOYSA-N 0 0 396.509 6.606 50 0 GKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nnc(-c2cccs2)s1 ZINC000006281322 570360565 /nfs/dbraw/zinc/36/05/65/570360565.db2.gz QVVGAGANDKXCAD-UHFFFAOYSA-N 0 0 393.921 5.026 50 0 GKAARN Clc1ccc(-c2ccc([C@H]3CC(c4ccccc4)=NN3c3ccccc3)o2)cc1 ZINC000004158721 570360578 /nfs/dbraw/zinc/36/05/78/570360578.db2.gz ISLBLCJIGPATEU-HSZRJFAPSA-N 0 0 398.893 6.956 50 0 GKAARN Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc2)c1 ZINC000006282195 570360919 /nfs/dbraw/zinc/36/09/19/570360919.db2.gz JEHACLCFUKNLKR-UHFFFAOYSA-N 0 0 395.612 7.246 50 0 GKAARN Cc1nc(CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cs1 ZINC000004174017 570360902 /nfs/dbraw/zinc/36/09/02/570360902.db2.gz OAAWQZFUVALJBA-UHFFFAOYSA-N 0 0 378.935 5.168 50 0 GKAARN CCc1cccc(C)c1Nc1c(-c2ccc(Cl)cc2)nc2nc(C)cc(C)n21 ZINC000004903970 570361090 /nfs/dbraw/zinc/36/10/90/570361090.db2.gz FLXVTINVRWVAJG-UHFFFAOYSA-N 0 0 390.918 6.281 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000004176635 570361136 /nfs/dbraw/zinc/36/11/36/570361136.db2.gz DLSXXFHEJHUUOX-IFMALSPDSA-N 0 0 375.859 5.286 50 0 GKAARN Cc1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@H]2c2ccccc2Cl)cc1C ZINC000004177842 570361148 /nfs/dbraw/zinc/36/11/48/570361148.db2.gz FRUHZIPUPWXVJR-DHIUTWEWSA-N 0 0 391.898 5.801 50 0 GKAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000004905412 570361331 /nfs/dbraw/zinc/36/13/31/570361331.db2.gz QCIZDPOPIWKZQX-UHFFFAOYSA-N 0 0 391.462 5.333 50 0 GKAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004182183 570361521 /nfs/dbraw/zinc/36/15/21/570361521.db2.gz WASZYFRNNKKPAT-UHFFFAOYSA-N 0 0 375.299 6.536 50 0 GKAARN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000004179199 570361539 /nfs/dbraw/zinc/36/15/39/570361539.db2.gz KSWKLOAMEVZQLV-WKZKVMAPSA-N 0 0 383.447 5.168 50 0 GKAARN CCCN(C(=O)c1cc2cc3ccc(OC)cc3nc2o1)c1ccc(CC)cc1 ZINC000004908306 570361791 /nfs/dbraw/zinc/36/17/91/570361791.db2.gz RKEREPKMGOTCDV-UHFFFAOYSA-N 0 0 388.467 5.609 50 0 GKAARN CC(C)Nc1c(-c2ccc(Cl)cc2)cn(C(C)C)c1-c1ccc(Cl)cc1 ZINC000004184006 570361872 /nfs/dbraw/zinc/36/18/72/570361872.db2.gz QYYUFEKHVGYBKY-UHFFFAOYSA-N 0 0 387.354 7.530 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000004184149 570362025 /nfs/dbraw/zinc/36/20/25/570362025.db2.gz UTUTVMWVHWMDJZ-UHFFFAOYSA-N 0 0 381.815 5.509 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)c3cc(C)ccc3n2)cc1 ZINC000006283968 570362078 /nfs/dbraw/zinc/36/20/78/570362078.db2.gz ZADRNIJPNHFCOY-UHFFFAOYSA-N 0 0 381.479 5.728 50 0 GKAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000004192419 570362286 /nfs/dbraw/zinc/36/22/86/570362286.db2.gz VSCRELJCJBYLFS-IBGZPJMESA-N 0 0 393.537 5.305 50 0 GKAARN COc1cc(OC)c(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1Cl ZINC000004905962 570362435 /nfs/dbraw/zinc/36/24/35/570362435.db2.gz XNKPYOTXMUDNRK-UHFFFAOYSA-N 0 0 396.830 5.212 50 0 GKAARN CN(CCc1ccccc1)c1nc(-c2ccc(F)cc2F)nc2ccccc21 ZINC000023439065 570362538 /nfs/dbraw/zinc/36/25/38/570362538.db2.gz LXDBFQOIMIZTRO-UHFFFAOYSA-N 0 0 375.422 5.254 50 0 GKAARN CCc1ccccc1Nc1cc(C(=O)NCc2ccccc2)c2ccccc2n1 ZINC000004910373 570362883 /nfs/dbraw/zinc/36/28/83/570362883.db2.gz XMOGORZDUQHXEV-UHFFFAOYSA-N 0 0 381.479 5.471 50 0 GKAARN Cc1cc(C)cc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)c1 ZINC000004911349 570363079 /nfs/dbraw/zinc/36/30/79/570363079.db2.gz UPDCVFUKFXRPGM-UHFFFAOYSA-N 0 0 387.508 5.587 50 0 GKAARN CCc1ccc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1 ZINC000004910498 570363106 /nfs/dbraw/zinc/36/31/06/570363106.db2.gz AFTBAQHPAOTKCO-UHFFFAOYSA-N 0 0 387.508 5.532 50 0 GKAARN Cc1cc(C)cc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)c1 ZINC000004911371 570363138 /nfs/dbraw/zinc/36/31/38/570363138.db2.gz VDMCUZCPJPKWGO-UHFFFAOYSA-N 0 0 391.515 5.140 50 0 GKAARN Cc1ccc(CCNC(=O)c2cc(Nc3ccccc3C)nc3ccccc32)cc1 ZINC000004910825 570363214 /nfs/dbraw/zinc/36/32/14/570363214.db2.gz DMGSFPJKEAHDRT-UHFFFAOYSA-N 0 0 395.506 5.568 50 0 GKAARN Cc1ccc(Nc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)c(C)c1 ZINC000004911112 570363247 /nfs/dbraw/zinc/36/32/47/570363247.db2.gz FGTNXSLEEYKKJI-DYESRHJHSA-N 0 0 387.527 5.904 50 0 GKAARN Cc1ccc(Nc2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)c(C)c1 ZINC000004911108 570363283 /nfs/dbraw/zinc/36/32/83/570363283.db2.gz FGTNXSLEEYKKJI-UWJYYQICSA-N 0 0 387.527 5.904 50 0 GKAARN FC(F)(F)c1c2c(nn1-c1nc(-c3ccncc3)cs1)-c1ccccc1CC2 ZINC000004914585 570363852 /nfs/dbraw/zinc/36/38/52/570363852.db2.gz CHYQHGNEFXBJBM-UHFFFAOYSA-N 0 0 398.413 5.175 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1c(C)cccc1C ZINC000004913885 570363873 /nfs/dbraw/zinc/36/38/73/570363873.db2.gz DXLRBLGTHUXFTO-LJQANCHMSA-N 0 0 393.600 6.276 50 0 GKAARN CCn1cc(CN(C(=S)Nc2cccc(C)c2C)C(C)C)c2ccccc21 ZINC000004914076 570363924 /nfs/dbraw/zinc/36/39/24/570363924.db2.gz HJGUWNZLEBZGCT-UHFFFAOYSA-N 0 0 379.573 5.885 50 0 GKAARN Cc1ccc(C)c(Cn2c3cnccc3nc2SCc2cccc(Cl)c2)c1 ZINC000004914731 570364020 /nfs/dbraw/zinc/36/40/20/570364020.db2.gz DPAMGCJBLFTGKK-UHFFFAOYSA-N 0 0 393.943 6.042 50 0 GKAARN Cc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1C ZINC000004914860 570364066 /nfs/dbraw/zinc/36/40/66/570364066.db2.gz JOVZSZKHGLZQAP-JOCHJYFZSA-N 0 0 376.887 5.724 50 0 GKAARN CCCCCC1CCC(c2ccc(C(=O)OC3CCC(CCC)CC3)cc2)CC1 ZINC000004256490 570364086 /nfs/dbraw/zinc/36/40/86/570364086.db2.gz PEXDPLSTNBSZFP-UHFFFAOYSA-N 0 0 398.631 8.056 50 0 GKAARN Cc1cc(C)cc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004915196 570364089 /nfs/dbraw/zinc/36/40/89/570364089.db2.gz IOHOUXZEYAPWTH-QFIPXVFZSA-N 0 0 376.887 5.724 50 0 GKAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004914924 570364099 /nfs/dbraw/zinc/36/40/99/570364099.db2.gz JMQXVSJZXIYQPZ-OAQYLSRUSA-N 0 0 378.859 5.115 50 0 GKAARN CCc1ccccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004914886 570364115 /nfs/dbraw/zinc/36/41/15/570364115.db2.gz UZUBLYMPZJVLKN-JOCHJYFZSA-N 0 0 376.887 5.669 50 0 GKAARN COc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)cc1 ZINC000004912065 570364340 /nfs/dbraw/zinc/36/43/40/570364340.db2.gz PYNGABVKTGJHAU-UHFFFAOYSA-N 0 0 393.556 5.708 50 0 GKAARN Cc1cc(C)cc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)c1 ZINC000004912182 570364607 /nfs/dbraw/zinc/36/46/07/570364607.db2.gz NQESNDGGBPXAIR-UHFFFAOYSA-N 0 0 391.584 6.316 50 0 GKAARN Cc1ccccc1NC(=S)N(Cc1cn(C)c2ccccc12)C1CCCC1 ZINC000004912353 570364609 /nfs/dbraw/zinc/36/46/09/570364609.db2.gz RSIYAARCEAOUDI-UHFFFAOYSA-N 0 0 377.557 5.628 50 0 GKAARN CC(C)N(Cc1c[nH]c2ccccc12)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000004912169 570364614 /nfs/dbraw/zinc/36/46/14/570364614.db2.gz JPBNJEVBROCQEK-UHFFFAOYSA-N 0 0 391.462 5.794 50 0 GKAARN O=C(NCc1cncc(-c2ccco2)c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000575618720 570364676 /nfs/dbraw/zinc/36/46/76/570364676.db2.gz NXASOZIKSAXVJR-UHFFFAOYSA-N 0 0 395.418 5.080 50 0 GKAARN Cc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCC2)cc1C ZINC000004912447 570364721 /nfs/dbraw/zinc/36/47/21/570364721.db2.gz LZQCXWNXXJLCGW-UHFFFAOYSA-N 0 0 391.584 5.937 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1cn(C)c2ccccc12)C(C)C ZINC000004912473 570364735 /nfs/dbraw/zinc/36/47/35/570364735.db2.gz CQRWMDPZADGHQA-UHFFFAOYSA-N 0 0 385.964 5.748 50 0 GKAARN Cc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCC2)c(C)c1 ZINC000004912497 570364801 /nfs/dbraw/zinc/36/48/01/570364801.db2.gz PDMUWTQZVFHDSP-UHFFFAOYSA-N 0 0 391.584 5.937 50 0 GKAARN C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccc(F)c(F)c1 ZINC000023548151 570365249 /nfs/dbraw/zinc/36/52/49/570365249.db2.gz LAOXWYWZWDWUMI-CQSZACIVSA-N 0 0 389.405 5.066 50 0 GKAARN COc1cccc2c1O[C@@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@H]21 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RNEDKGKIELXIAV-UHFFFAOYSA-N 0 0 378.859 5.222 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000004959048 570381471 /nfs/dbraw/zinc/38/14/71/570381471.db2.gz WSIPKRORVJGVJG-UHFFFAOYSA-N 0 0 375.811 5.366 50 0 GKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958514 570381551 /nfs/dbraw/zinc/38/15/51/570381551.db2.gz XUIJWXHYLRBDEC-UHFFFAOYSA-N 0 0 399.321 5.393 50 0 GKAARN Cc1ccc(N(C)C(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1C ZINC000004958478 570381568 /nfs/dbraw/zinc/38/15/68/570381568.db2.gz ANLLQZFKNZVJAR-UHFFFAOYSA-N 0 0 378.903 5.660 50 0 GKAARN CC(=O)N(C)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000004524699 570381760 /nfs/dbraw/zinc/38/17/60/570381760.db2.gz VRVFLJHJKZSJNV-UHFFFAOYSA-N 0 0 395.462 5.137 50 0 GKAARN CCOc1ccccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000035509885 570382244 /nfs/dbraw/zinc/38/22/44/570382244.db2.gz WNRLDFUNJCEODH-UHFFFAOYSA-N 0 0 378.453 5.013 50 0 GKAARN C[C@@H](NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1)c1ccccc1 ZINC000035509947 570382312 /nfs/dbraw/zinc/38/23/12/570382312.db2.gz FOIQPFKMWUSCSB-CYBMUJFWSA-N 0 0 395.915 5.446 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000035509935 570382415 /nfs/dbraw/zinc/38/24/15/570382415.db2.gz NITDTGXRTYHQJY-UHFFFAOYSA-N 0 0 385.851 5.440 50 0 GKAARN O=C1c2ccccc2[C@@H](Nc2cc(Cl)ccc2Cl)N1Cc1ccccc1 ZINC000004960746 570382485 /nfs/dbraw/zinc/38/24/85/570382485.db2.gz JIOWQFYMPMKFSN-FQEVSTJZSA-N 0 0 383.278 5.760 50 0 GKAARN Cc1c(Cl)cccc1N[C@H]1c2ccccc2C(=O)N1c1ccc(Cl)cn1 ZINC000004960669 570382559 /nfs/dbraw/zinc/38/25/59/570382559.db2.gz KZVKHRPYPYKQNF-LJQANCHMSA-N 0 0 384.266 5.468 50 0 GKAARN Cc1ccc(Cl)cc1N[C@H]1c2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000004961371 570382628 /nfs/dbraw/zinc/38/26/28/570382628.db2.gz PHIFHQBMNSCNPZ-HXUWFJFHSA-N 0 0 383.278 6.073 50 0 GKAARN COc1ccc(Cl)cc1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000004960803 570382784 /nfs/dbraw/zinc/38/27/84/570382784.db2.gz ZRLCJMVEVDHSRX-OAQYLSRUSA-N 0 0 378.859 5.115 50 0 GKAARN O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1ccccc1Cl ZINC000090607157 570382892 /nfs/dbraw/zinc/38/28/92/570382892.db2.gz UDLVNAUUWZAUID-UHFFFAOYSA-N 0 0 395.894 5.035 50 0 GKAARN Clc1ccc(-c2ccc(-c3nn4c(nnc4-c4ccccc4)s3)o2)cc1 ZINC000004539853 570382969 /nfs/dbraw/zinc/38/29/69/570382969.db2.gz KJUSNSLINBHPGA-UHFFFAOYSA-N 0 0 378.844 5.433 50 0 GKAARN O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1ccccc1 ZINC000004544566 570383038 /nfs/dbraw/zinc/38/30/38/570383038.db2.gz VYOALGQPUGGIKP-GHRIWEEISA-N 0 0 379.462 5.672 50 0 GKAARN COc1ccccc1CNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000004961534 570382983 /nfs/dbraw/zinc/38/29/83/570382983.db2.gz KYFPVPRVTDRHTN-UHFFFAOYSA-N 0 0 396.899 5.350 50 0 GKAARN Cc1ccc(C)c(OCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1 ZINC000024384133 570383155 /nfs/dbraw/zinc/38/31/55/570383155.db2.gz RGEVEGJUIKNWMN-SFHVURJKSA-N 0 0 380.513 5.046 50 0 GKAARN COc1cc2c(cc1NC(=O)CSCc1ccccc1)oc1ccccc12 ZINC000004539256 570383152 /nfs/dbraw/zinc/38/31/52/570383152.db2.gz 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570384267 /nfs/dbraw/zinc/38/42/67/570384267.db2.gz WLXDJBWQFBQLNQ-UHFFFAOYSA-N 0 0 399.600 5.242 50 0 GKAARN COc1ccc(SCC2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000090608283 570384310 /nfs/dbraw/zinc/38/43/10/570384310.db2.gz ZRQRAJZFXMYCJC-UHFFFAOYSA-N 0 0 381.950 5.055 50 0 GKAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(F)c4)c3c2c1 ZINC000004969968 570384947 /nfs/dbraw/zinc/38/49/47/570384947.db2.gz GZMRLSOVOOFTHE-UHFFFAOYSA-N 0 0 383.426 5.779 50 0 GKAARN O=C(c1ccoc1)n1c(-c2ccccc2)cs/c1=N\c1ccc(F)cc1F ZINC000004567250 570385000 /nfs/dbraw/zinc/38/50/00/570385000.db2.gz MJJFZHPJPALXNX-ATJXCDBQSA-N 0 0 382.391 5.009 50 0 GKAARN COc1ccccc1-n1nc(-c2ccccc2)c2cnc3ccc(Cl)cc3c21 ZINC000004969897 570385012 /nfs/dbraw/zinc/38/50/12/570385012.db2.gz QDMUOGCQXGBYOK-UHFFFAOYSA-N 0 0 385.854 5.903 50 0 GKAARN Fc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2ccc(Cl)cc32)cc1 ZINC000004970116 570385248 /nfs/dbraw/zinc/38/52/48/570385248.db2.gz PQFBKLKUGFUSKC-UHFFFAOYSA-N 0 0 391.808 6.172 50 0 GKAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004970058 570385332 /nfs/dbraw/zinc/38/53/32/570385332.db2.gz JWAXLQDCOXUZOE-UHFFFAOYSA-N 0 0 379.463 5.866 50 0 GKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(Cl)cccc4c32)cc1 ZINC000004970119 570385349 /nfs/dbraw/zinc/38/53/49/570385349.db2.gz XNCAQYXTDXMHPQ-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN Cc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2cc(F)c(F)cc32)cc1 ZINC000004970093 570385354 /nfs/dbraw/zinc/38/53/54/570385354.db2.gz NQHGMACPUHMGCI-UHFFFAOYSA-N 0 0 385.417 6.136 50 0 GKAARN COc1ccccc1-n1nc(-c2ccccc2)c2cnc3c(F)cc(F)cc3c21 ZINC000004970077 570385356 /nfs/dbraw/zinc/38/53/56/570385356.db2.gz ZJGCRBPYMXNHOA-UHFFFAOYSA-N 0 0 387.389 5.528 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000004970061 570385359 /nfs/dbraw/zinc/38/53/59/570385359.db2.gz UBZZCFIOKKABRM-UHFFFAOYSA-N 0 0 393.446 5.320 50 0 GKAARN Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 ZINC000004970195 570385391 /nfs/dbraw/zinc/38/53/91/570385391.db2.gz HKZYNQUQHWMXDY-UHFFFAOYSA-N 0 0 383.882 6.511 50 0 GKAARN O=C1NC(c2ccccc2)=C(c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000004571161 570385374 /nfs/dbraw/zinc/38/53/74/570385374.db2.gz XYIWDVRBFAKQKV-UHFFFAOYSA-N 0 0 387.482 5.671 50 0 GKAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)cc4)c3c2c1 ZINC000004970108 570385423 /nfs/dbraw/zinc/38/54/23/570385423.db2.gz UBOCBGPUEPFRQZ-UHFFFAOYSA-N 0 0 383.426 5.697 50 0 GKAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccccc4)c3c2c1 ZINC000004970244 570385593 /nfs/dbraw/zinc/38/55/93/570385593.db2.gz HIQNLXZKBVKOAO-UHFFFAOYSA-N 0 0 379.463 5.866 50 0 GKAARN COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2c1 ZINC000004970322 570385666 /nfs/dbraw/zinc/38/56/66/570385666.db2.gz OTSYYOBNFDANTN-UHFFFAOYSA-N 0 0 385.854 5.903 50 0 GKAARN COc1cccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc32)c1 ZINC000004970292 570385677 /nfs/dbraw/zinc/38/56/77/570385677.db2.gz AVGVIRIQMQXCEU-UHFFFAOYSA-N 0 0 383.426 5.697 50 0 GKAARN COc1ccc(-n2nc(-c3ccc(C)c(C)c3)c3cnc4ccccc4c32)cc1 ZINC000004970216 570385709 /nfs/dbraw/zinc/38/57/09/570385709.db2.gz PRPPYAAVVPIUKW-UHFFFAOYSA-N 0 0 379.463 5.866 50 0 GKAARN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004576731 570385742 /nfs/dbraw/zinc/38/57/42/570385742.db2.gz DGNHRZZZQRSEFB-HIGJEIRPSA-N 0 0 375.940 5.219 50 0 GKAARN Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970326 570385751 /nfs/dbraw/zinc/38/57/51/570385751.db2.gz IWNCOVXKUCFEQH-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN CCCCN(CCCC)C(=O)c1ccc(C(=O)N(CCCC)CCCC)cc1 ZINC000004591357 570385917 /nfs/dbraw/zinc/38/59/17/570385917.db2.gz HXPYLBGGQHBDKJ-UHFFFAOYSA-N 0 0 388.596 5.771 50 0 GKAARN O=C(CSc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004590764 570386089 /nfs/dbraw/zinc/38/60/89/570386089.db2.gz UWMQIANRIZUAEN-UHFFFAOYSA-N 0 0 377.553 5.885 50 0 GKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1F ZINC000012979857 570386186 /nfs/dbraw/zinc/38/61/86/570386186.db2.gz MFVCPPBJEIVWLC-UHFFFAOYSA-N 0 0 376.840 5.075 50 0 GKAARN Cc1ccc(CSC[C@H]2COC(c3cccn3Cc3ccc(F)cc3)=N2)cc1 ZINC000004970943 570386335 /nfs/dbraw/zinc/38/63/35/570386335.db2.gz SZZHGKBVBDOXAR-OAQYLSRUSA-N 0 0 394.515 5.063 50 0 GKAARN O=C(CCSc1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000004592945 570386393 /nfs/dbraw/zinc/38/63/93/570386393.db2.gz PRELFZWSAPGNGN-UHFFFAOYSA-N 0 0 384.372 5.561 50 0 GKAARN O=C(NCc1ccccc1Cl)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000004972023 570386547 /nfs/dbraw/zinc/38/65/47/570386547.db2.gz OQDZVWHVUURDAH-UHFFFAOYSA-N 0 0 389.838 5.043 50 0 GKAARN CCOc1ccccc1-n1sc2c(c1=S)-c1cccc(OC)c1NC2(C)C ZINC000004593263 570386712 /nfs/dbraw/zinc/38/67/12/570386712.db2.gz DUIRVJSILHWMRK-UHFFFAOYSA-N 0 0 398.553 6.003 50 0 GKAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccc(Cl)c(Cl)c1 ZINC000090610579 570386755 /nfs/dbraw/zinc/38/67/55/570386755.db2.gz VWVVNVUUYMTJPI-UHFFFAOYSA-N 0 0 396.320 5.277 50 0 GKAARN O=C(NCc1cccc2ccccc21)N(CCc1cccs1)Cc1ccoc1 ZINC000090612458 570386993 /nfs/dbraw/zinc/38/69/93/570386993.db2.gz MKDCNSXIJNIBER-UHFFFAOYSA-N 0 0 390.508 5.449 50 0 GKAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccccc2Cl)cc1 ZINC000004972104 570387044 /nfs/dbraw/zinc/38/70/44/570387044.db2.gz SSHQNRCEQIMLMX-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN CCN(Cc1ccccc1)C(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000004972102 570387088 /nfs/dbraw/zinc/38/70/88/570387088.db2.gz RREXFOIQCGPGTM-UHFFFAOYSA-N 0 0 397.474 5.431 50 0 GKAARN O=C(Nc1ccccc1Cl)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613864 570387252 /nfs/dbraw/zinc/38/72/52/570387252.db2.gz UUDWQFUPWNTMLC-MRXNPFEDSA-N 0 0 385.678 5.252 50 0 GKAARN CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3)c2c1 ZINC000004610392 570387210 /nfs/dbraw/zinc/38/72/10/570387210.db2.gz VDTQOAAHVLNLSA-UHFFFAOYSA-N 0 0 386.882 6.370 50 0 GKAARN CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000004611533 570387260 /nfs/dbraw/zinc/38/72/60/570387260.db2.gz NOMDHNSQVPSCTL-FHLIZLRMSA-N 0 0 397.540 5.182 50 0 GKAARN Cc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3cccs3)C2)cc1 ZINC000004614203 570387715 /nfs/dbraw/zinc/38/77/15/570387715.db2.gz SZOMIHNWTWINMV-LJQANCHMSA-N 0 0 387.335 6.719 50 0 GKAARN CC(C)(C)c1ccc(CSc2nnc(CNc3cccc(Cl)c3)o2)cc1 ZINC000004976958 570387852 /nfs/dbraw/zinc/38/78/52/570387852.db2.gz UASGAPFTKJOHQJ-UHFFFAOYSA-N 0 0 387.936 5.925 50 0 GKAARN COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1F ZINC000004614700 570387990 /nfs/dbraw/zinc/38/79/90/570387990.db2.gz RFCCQVLXZVPJKT-RWEWTDSWSA-N 0 0 388.398 5.065 50 0 GKAARN CCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c1 ZINC000526052406 570388148 /nfs/dbraw/zinc/38/81/48/570388148.db2.gz JAXXRLNIROSIGF-UHFFFAOYSA-N 0 0 397.500 5.035 50 0 GKAARN COc1ccc(C(=O)c2coc3ccc(OCc4ccccc4)cc23)cc1OC ZINC000526052610 570388197 /nfs/dbraw/zinc/38/81/97/570388197.db2.gz VEFDBZJLAXURJD-UHFFFAOYSA-N 0 0 388.419 5.260 50 0 GKAARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1-2)C(c1ccccc1)c1ccccc1 ZINC000004622372 570388257 /nfs/dbraw/zinc/38/82/57/570388257.db2.gz HJQLPLYHFUUZEI-UHFFFAOYSA-N 0 0 389.454 5.669 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1C1CCCCC1 ZINC000004619694 570388291 /nfs/dbraw/zinc/38/82/91/570388291.db2.gz CTMAUXUEWWMICA-LJQANCHMSA-N 0 0 375.299 5.893 50 0 GKAARN O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1cccnc1 ZINC000024639009 570388363 /nfs/dbraw/zinc/38/83/63/570388363.db2.gz UKZPDGGTVYBWSV-XMMPIXPASA-N 0 0 385.511 5.150 50 0 GKAARN C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)c1c[nH]c2ccccc21 ZINC000024631874 570388515 /nfs/dbraw/zinc/38/85/15/570388515.db2.gz QZMBIZBLUZYPIF-LBPRGKRZSA-N 0 0 386.546 5.128 50 0 GKAARN CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1 ZINC000004979982 570388611 /nfs/dbraw/zinc/38/86/11/570388611.db2.gz QMMVPCUJMRNLKQ-UHFFFAOYSA-N 0 0 383.473 5.019 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000004628750 570388637 /nfs/dbraw/zinc/38/86/37/570388637.db2.gz KBFHOVOZCMTTAU-FQEVSTJZSA-N 0 0 382.385 5.785 50 0 GKAARN Fc1ccc(/C=C/C2=NN(c3ccc(F)cc3F)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004628328 570388697 /nfs/dbraw/zinc/38/86/97/570388697.db2.gz WRYLCPGCHLAZDS-ZYGQPZCPSA-N 0 0 396.387 6.264 50 0 GKAARN Cc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)c1 ZINC000526056087 570388934 /nfs/dbraw/zinc/38/89/34/570388934.db2.gz RNYCTWJFQYUILQ-FQEVSTJZSA-N 0 0 380.488 5.000 50 0 GKAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004646414 570389073 /nfs/dbraw/zinc/38/90/73/570389073.db2.gz ALQWKDKDTVBMEO-UHFFFAOYSA-N 0 0 377.532 5.093 50 0 GKAARN Cc1cccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)c1 ZINC000004646540 570389086 /nfs/dbraw/zinc/38/90/86/570389086.db2.gz XBLMHHXQBSMCLG-UHFFFAOYSA-N 0 0 390.845 6.255 50 0 GKAARN Cc1ccc(-c2cncc(C(=O)Nc3ccc(Br)c(C)c3)c2)cc1 ZINC000035514637 570389273 /nfs/dbraw/zinc/38/92/73/570389273.db2.gz AFJLSBRUELCWLI-UHFFFAOYSA-N 0 0 381.273 5.380 50 0 GKAARN CCc1nc(-c2ccc(-c3noc([C@H](C)Oc4ccccc4)n3)cc2)cs1 ZINC000035515073 570389617 /nfs/dbraw/zinc/38/96/17/570389617.db2.gz HAXBMZIKNYSRRQ-AWEZNQCLSA-N 0 0 377.469 5.563 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)c1 ZINC000035534871 570390261 /nfs/dbraw/zinc/39/02/61/570390261.db2.gz LEZGAIBMFAJDSH-UHFFFAOYSA-N 0 0 383.904 5.215 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)c1 ZINC000004659765 570390279 /nfs/dbraw/zinc/39/02/79/570390279.db2.gz KRQFGHXTHRDAAJ-UHFFFAOYSA-N 0 0 394.474 5.582 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 ZINC000004660823 570390401 /nfs/dbraw/zinc/39/04/01/570390401.db2.gz DPPKDHJNJURDSN-MRXNPFEDSA-N 0 0 397.540 5.693 50 0 GKAARN COc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc(OC)c1O ZINC000004660121 570390414 /nfs/dbraw/zinc/39/04/14/570390414.db2.gz BIPDYDIFQSEVLK-UHFFFAOYSA-N 0 0 398.462 5.552 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C)cc1C ZINC000035536396 570390456 /nfs/dbraw/zinc/39/04/56/570390456.db2.gz UHEBRRHFGRYLQI-UHFFFAOYSA-N 0 0 385.261 5.282 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1c(C)cccc1C ZINC000035536372 570390484 /nfs/dbraw/zinc/39/04/84/570390484.db2.gz DSIQJSBMBOFNIZ-UHFFFAOYSA-N 0 0 385.261 5.282 50 0 GKAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035536157 570390516 /nfs/dbraw/zinc/39/05/16/570390516.db2.gz PJKIUVULTMGHQG-UHFFFAOYSA-N 0 0 396.437 5.023 50 0 GKAARN c1ccc([C@H]2C[C@@H](c3ccccc3)O[C@H](c3ccccc3)N2c2ccccc2)cc1 ZINC000004661617 570390518 /nfs/dbraw/zinc/39/05/18/570390518.db2.gz HEZOFEVKWQYVSB-OZNIXHKMSA-N 0 0 391.514 7.095 50 0 GKAARN Cc1ccc(Cl)cc1N[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004992038 570390562 /nfs/dbraw/zinc/39/05/62/570390562.db2.gz QXMDGKFNNWGGRB-NRFANRHFSA-N 0 0 397.305 6.069 50 0 GKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000035536078 570390592 /nfs/dbraw/zinc/39/05/92/570390592.db2.gz WDXVSFVZCVOJCI-UHFFFAOYSA-N 0 0 387.414 5.027 50 0 GKAARN COc1ccc(-c2cc(COC(=O)c3cc(SC)ccc3Cl)on2)cc1 ZINC000024718068 570390613 /nfs/dbraw/zinc/39/06/13/570390613.db2.gz VYMGFKNLEOQXBK-UHFFFAOYSA-N 0 0 389.860 5.083 50 0 GKAARN c1ccc([C@H]2O[C@@H](c3ccccc3)N(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000004661613 570390602 /nfs/dbraw/zinc/39/06/02/570390602.db2.gz BZQJXORAIOYPSZ-VJGNERBWSA-N 0 0 377.487 6.705 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000035536356 570390657 /nfs/dbraw/zinc/39/06/57/570390657.db2.gz FTXBZZTWSBWHFG-UHFFFAOYSA-N 0 0 391.652 5.318 50 0 GKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCCCCCCCCC1 ZINC000004664522 570390817 /nfs/dbraw/zinc/39/08/17/570390817.db2.gz OTTIVVRBBZAIEJ-UHFFFAOYSA-N 0 0 379.972 6.287 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2[C@H]1Nc1cc(Cl)ccc1Cl ZINC000004992397 570390875 /nfs/dbraw/zinc/39/08/75/570390875.db2.gz KGPZUSPMVZZDJE-FQEVSTJZSA-N 0 0 383.278 6.073 50 0 GKAARN O=C(CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000220966734 570391110 /nfs/dbraw/zinc/39/11/10/570391110.db2.gz WRSOHBBSLZVAJS-UHFFFAOYSA-N 0 0 394.443 5.589 50 0 GKAARN O=C(Oc1cccc2c(OC(=O)C3CCCCC3)cccc12)C1CCCCC1 ZINC000004666462 570391192 /nfs/dbraw/zinc/39/11/92/570391192.db2.gz 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ZINC000006343341 570391911 /nfs/dbraw/zinc/39/19/11/570391911.db2.gz LUSNOEBRDDPHAX-SFHVURJKSA-N 0 0 375.468 5.009 50 0 GKAARN CCCSc1nnc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)s1 ZINC000004671415 570392224 /nfs/dbraw/zinc/39/22/24/570392224.db2.gz QNMLHYGHPYIYMH-UHFFFAOYSA-N 0 0 381.910 5.309 50 0 GKAARN Cc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1Cl ZINC000004679892 570392505 /nfs/dbraw/zinc/39/25/05/570392505.db2.gz VFNHPUXSUBDVIT-UHFFFAOYSA-N 0 0 386.307 6.717 50 0 GKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([C@H](C)CC)cc2)c1 ZINC000004679956 570392552 /nfs/dbraw/zinc/39/25/52/570392552.db2.gz AUVJYQSOROEAMR-CQSZACIVSA-N 0 0 388.895 5.220 50 0 GKAARN CCCN(CCC)C(=O)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000035527287 570392636 /nfs/dbraw/zinc/39/26/36/570392636.db2.gz LQRSROBKOMWXHX-UHFFFAOYSA-N 0 0 393.462 5.337 50 0 GKAARN COc1ccc(-c2csc(NC(=O)c3cc4ccc(F)cc4nc3C)n2)cc1 ZINC000024771719 570392686 /nfs/dbraw/zinc/39/26/86/570392686.db2.gz AAKMLTBBSGRXNN-UHFFFAOYSA-N 0 0 393.443 5.067 50 0 GKAARN Clc1ccc(Cl)c(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)c1 ZINC000024774171 570392854 /nfs/dbraw/zinc/39/28/54/570392854.db2.gz AZHCEZGURIJPQJ-GFCCVEGCSA-N 0 0 395.340 5.086 50 0 GKAARN CC(C)(COC12CC3CC(CC(C3)C1)C2)NC(=O)Nc1cccc(Cl)c1 ZINC000004687125 570393191 /nfs/dbraw/zinc/39/31/91/570393191.db2.gz REEBBIYDGYBCQB-UHFFFAOYSA-N 0 0 376.928 5.226 50 0 GKAARN O=C(/C=C/c1ccco1)N[C@H](c1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000004695530 570393826 /nfs/dbraw/zinc/39/38/26/570393826.db2.gz DPJOSLIUBBNYMU-ZRVKMLQASA-N 0 0 379.459 5.450 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000004695616 570393875 /nfs/dbraw/zinc/39/38/75/570393875.db2.gz ZHNUPINNXOVDFS-UHFFFAOYSA-N 0 0 386.495 6.040 50 0 GKAARN COc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000005008123 570393874 /nfs/dbraw/zinc/39/38/74/570393874.db2.gz ZHDKWOBJRGGRMC-QFIPXVFZSA-N 0 0 397.305 6.358 50 0 GKAARN CN(Cc1cccc(Cl)c1Cl)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000024816444 570393968 /nfs/dbraw/zinc/39/39/68/570393968.db2.gz YWCRSXRUIYFFOR-UHFFFAOYSA-N 0 0 388.254 5.020 50 0 GKAARN CSC1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1 ZINC000004698152 570394227 /nfs/dbraw/zinc/39/42/27/570394227.db2.gz KFQQABPTZNOSLA-SXGWCWSVSA-N 0 0 377.296 5.096 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000006336902 570394329 /nfs/dbraw/zinc/39/43/29/570394329.db2.gz WZHKIVBQARTRII-UHFFFAOYSA-N 0 0 387.464 5.056 50 0 GKAARN CC[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)c1ccc(OC)cc1 ZINC000032721517 570394445 /nfs/dbraw/zinc/39/44/45/570394445.db2.gz LXHSYFJAMWGWBH-HJPURHCSSA-N 0 0 377.484 5.228 50 0 GKAARN COC(=O)c1cccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc32)c1 ZINC000004700921 570394968 /nfs/dbraw/zinc/39/49/68/570394968.db2.gz JJSLUICNQMIVSU-CCEZHUSRSA-N 0 0 381.435 5.330 50 0 GKAARN O=c1[nH]c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2sc3c(c21)CCCC3 ZINC000004701821 570395025 /nfs/dbraw/zinc/39/50/25/570395025.db2.gz CNQGEYWFERYZRI-UHFFFAOYSA-N 0 0 382.872 5.444 50 0 GKAARN CC(C)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000005009928 570395465 /nfs/dbraw/zinc/39/54/65/570395465.db2.gz NEWGYFGUBVRGPX-QGZVFWFLSA-N 0 0 395.572 5.176 50 0 GKAARN COc1ccc(-c2nc(CN3CCc4sccc4[C@@H]3C)cs2)c(OC)c1 ZINC000024843676 570396317 /nfs/dbraw/zinc/39/63/17/570396317.db2.gz YFQTUMHHJPPWLB-ZDUSSCGKSA-N 0 0 386.542 5.008 50 0 GKAARN Cc1cc(C)c(C(=O)c2sc(Nc3ccc(Cl)cc3C)nc2N)cc1C ZINC000032947971 570396608 /nfs/dbraw/zinc/39/66/08/570396608.db2.gz SNNUVMVEMAWYPP-UHFFFAOYSA-N 0 0 385.920 5.587 50 0 GKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(N4CCCC[C@H]4C)n3)o2)c1 ZINC000035560826 570396808 /nfs/dbraw/zinc/39/68/08/570396808.db2.gz MTSIAUDSJIJEON-MRXNPFEDSA-N 0 0 385.471 5.034 50 0 GKAARN CCC1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000005016889 570397049 /nfs/dbraw/zinc/39/70/49/570397049.db2.gz BFKBWIIQRJCRSU-FCRSDJTPSA-N 0 0 380.919 6.180 50 0 GKAARN N=C1S[C@@H](c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1 ZINC000005017028 570397114 /nfs/dbraw/zinc/39/71/14/570397114.db2.gz LBLOJANXTVKNIY-INIZCTEOSA-N 0 0 399.928 5.143 50 0 aggregator GKAARN Brc1ccc(N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000004712878 570397227 /nfs/dbraw/zinc/39/72/27/570397227.db2.gz PPATWOWGMYWYIP-OAHLLOKOSA-N 0 0 389.343 5.928 50 0 GKAARN CCOc1ccc(N2C(=O)[C@H](C)S[C@@H]2c2ccc3cc(C)ccc3n2)cc1 ZINC000033688457 570397357 /nfs/dbraw/zinc/39/73/57/570397357.db2.gz QKWVIRDWXHUTGB-OYHNWAKOSA-N 0 0 378.497 5.109 50 0 GKAARN CCOc1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccc3cc(C)ccc3n2)cc1 ZINC000033688456 570397607 /nfs/dbraw/zinc/39/76/07/570397607.db2.gz QKWVIRDWXHUTGB-NYHFZMIOSA-N 0 0 378.497 5.109 50 0 GKAARN COc1ccccc1Nc1ncnc2c1c(C)c(C)n2-c1cccc(Cl)c1 ZINC000032960541 570397671 /nfs/dbraw/zinc/39/76/71/570397671.db2.gz CVXGVRMVTOMPAD-UHFFFAOYSA-N 0 0 378.863 5.443 50 0 GKAARN CCc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cccc(Cl)c2)cc1 ZINC000032960516 570397684 /nfs/dbraw/zinc/39/76/84/570397684.db2.gz JUPALUPMHGYFRD-UHFFFAOYSA-N 0 0 376.891 5.997 50 0 GKAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(C)cc(C)c3)cc2s1 ZINC000032959403 570397701 /nfs/dbraw/zinc/39/77/01/570397701.db2.gz XXSGLLANCDFIAX-UHFFFAOYSA-N 0 0 395.528 5.223 50 0 GKAARN c1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 ZINC000005019100 570397775 /nfs/dbraw/zinc/39/77/75/570397775.db2.gz ZSSPKMADGVCZPK-UHFFFAOYSA-N 0 0 388.448 5.425 50 0 GKAARN Fc1ccc(-c2cn3cc(Cc4cc(Cl)ccc4Cl)sc3n2)cc1 ZINC000005020487 570397846 /nfs/dbraw/zinc/39/78/46/570397846.db2.gz MBUTYCNYSQXPDK-UHFFFAOYSA-N 0 0 377.271 6.100 50 0 GKAARN Clc1ccc(-c2cn3cc(Cc4cccc(Cl)c4Cl)sc3n2)cc1 ZINC000005020451 570397958 /nfs/dbraw/zinc/39/79/58/570397958.db2.gz VKSRUPGFPVYHIJ-UHFFFAOYSA-N 0 0 393.726 6.614 50 0 GKAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)ccc2C)cc1 ZINC000005021701 570398280 /nfs/dbraw/zinc/39/82/80/570398280.db2.gz HYPWIQHDQSTCGQ-UHFFFAOYSA-N 0 0 384.870 5.906 50 0 GKAARN O=c1[nH]c(C=Cc2cn(Cc3ccccc3)c3ccccc23)nc2ccccc12 ZINC000004725801 570398358 /nfs/dbraw/zinc/39/83/58/570398358.db2.gz 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Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CCCCCC3)sc21 ZINC000005025887 570399433 /nfs/dbraw/zinc/39/94/33/570399433.db2.gz OVGREJHJGKQUPQ-UHFFFAOYSA-N 0 0 387.936 5.408 50 0 GKAARN COc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1OC ZINC000006377816 570399500 /nfs/dbraw/zinc/39/95/00/570399500.db2.gz KOHDEIJCASOMBM-UHFFFAOYSA-N 0 0 397.858 5.189 50 0 GKAARN Clc1ccc(CSc2nnc(-c3cccc4ccccc43)o2)c(Cl)c1 ZINC000004735863 570399564 /nfs/dbraw/zinc/39/95/64/570399564.db2.gz RXOSXOOAPGXLRD-UHFFFAOYSA-N 0 0 387.291 6.489 50 0 GKAARN Cn1cc(/C=C/C(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)cn1 ZINC000024943096 570399584 /nfs/dbraw/zinc/39/95/84/570399584.db2.gz AHRLIZITSXWDRR-XNWCZRBMSA-N 0 0 388.254 5.171 50 0 GKAARN CCCCSc1nc(SCCC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000005026110 570399856 /nfs/dbraw/zinc/39/98/56/570399856.db2.gz IDURZYJEOLCZEV-UHFFFAOYSA-N 0 0 382.620 5.937 50 0 GKAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000024957369 570399879 /nfs/dbraw/zinc/39/98/79/570399879.db2.gz MLXVIEFMBIYZDC-NRFANRHFSA-N 0 0 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/nfs/dbraw/zinc/40/19/63/570401963.db2.gz VFMQNCDRTIAZSB-UHFFFAOYSA-N 0 0 378.328 5.312 50 0 GKAARN Clc1cccc(Oc2cc(-c3nc4ccccc4s3)c3ccccc3n2)c1 ZINC000024990617 570402336 /nfs/dbraw/zinc/40/23/36/570402336.db2.gz PCWDJWWWPLXRTH-UHFFFAOYSA-N 0 0 388.879 6.957 50 0 GKAARN C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000004749603 570402478 /nfs/dbraw/zinc/40/24/78/570402478.db2.gz YDJDHMMHLUUGTB-KSFYIVLOSA-N 0 0 391.492 5.126 50 0 GKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169253 570402545 /nfs/dbraw/zinc/40/25/45/570402545.db2.gz HTZBHNRNIFPQTO-UHFFFAOYSA-N 0 0 389.480 5.924 50 0 GKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)cc1 ZINC000005035549 570402750 /nfs/dbraw/zinc/40/27/50/570402750.db2.gz JXMWGZTZGBSTMX-UHFFFAOYSA-N 0 0 388.398 5.385 50 0 GKAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1 ZINC000005035561 570402774 /nfs/dbraw/zinc/40/27/74/570402774.db2.gz NTOONRJEWOKUDC-UHFFFAOYSA-N 0 0 376.437 5.307 50 0 GKAARN Cc1ccc(C)c2c1Sc1ccc(C(=O)NCc3ccccc3)cc1N=C2C ZINC000005035905 570402783 /nfs/dbraw/zinc/40/27/83/570402783.db2.gz YQSHENMRISDBJZ-UHFFFAOYSA-N 0 0 386.520 5.839 50 0 GKAARN COc1cc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc(OC)c1OC ZINC000006388872 570403163 /nfs/dbraw/zinc/40/31/63/570403163.db2.gz SWGSGCBMMGMDDX-NRFANRHFSA-N 0 0 395.480 5.663 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000005034755 570403224 /nfs/dbraw/zinc/40/32/24/570403224.db2.gz OAOOPUFGQODGPJ-UHFFFAOYSA-N 0 0 382.341 5.766 50 0 GKAARN CCSc1nc(-c2ccccc2)nc2c1Cc1cc(Br)ccc1O2 ZINC000005035279 570403561 /nfs/dbraw/zinc/40/35/61/570403561.db2.gz ASBANSCSVSKZPJ-UHFFFAOYSA-N 0 0 399.313 5.715 50 0 GKAARN CCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1cccc(Cl)c1 ZINC000005035049 570403592 /nfs/dbraw/zinc/40/35/92/570403592.db2.gz RHCDPAQKZKEFIW-UHFFFAOYSA-N 0 0 399.321 6.087 50 0 GKAARN CCc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267832 570403709 /nfs/dbraw/zinc/40/37/09/570403709.db2.gz 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570404153 /nfs/dbraw/zinc/40/41/53/570404153.db2.gz FVSRMPADUJRPEC-UHFFFAOYSA-N 0 0 379.485 5.391 50 0 GKAARN CCOc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)cc1OCC ZINC000033271101 570404102 /nfs/dbraw/zinc/40/41/02/570404102.db2.gz HUJDJWBFALKDEP-SSKFGXFMSA-N 0 0 387.907 5.772 50 0 GKAARN COc1ccc(-c2nc3nc(C)cc(C)n3c2NC2CCCCCC2)cc1OC ZINC000035622664 570404247 /nfs/dbraw/zinc/40/42/47/570404247.db2.gz UEOACLIYTHWSER-UHFFFAOYSA-N 0 0 394.519 5.165 50 0 GKAARN CCCCCCOc1ccccc1C(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004761407 570404462 /nfs/dbraw/zinc/40/44/62/570404462.db2.gz NTUNIWNNNRRUHD-UHFFFAOYSA-N 0 0 399.575 5.361 50 0 GKAARN c1sc(C23CC4CC(CC(C4)C2)C3)nc1CSc1ncnc2ccccc21 ZINC000004770271 570404710 /nfs/dbraw/zinc/40/47/10/570404710.db2.gz HJTRNRGZABLKFS-UHFFFAOYSA-N 0 0 393.581 5.846 50 0 GKAARN Cc1ccc2c(c1)sc(C(=O)N1CCN(c3ccccc3C)CC1)c2Cl ZINC000006401304 570404801 /nfs/dbraw/zinc/40/48/01/570404801.db2.gz GIXZEEAAQXUWTE-UHFFFAOYSA-N 0 0 384.932 5.134 50 0 GKAARN CCCN(CCC)C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261194 570405013 /nfs/dbraw/zinc/40/50/13/570405013.db2.gz VVKLPBXNTQUXBP-UHFFFAOYSA-N 0 0 392.478 5.289 50 0 GKAARN Cc1ccccc1CSCC1N=NC(=S)N1c1cccc(Cl)c1Cl ZINC000006401716 570405066 /nfs/dbraw/zinc/40/50/66/570405066.db2.gz PXRFELZTWTWTRX-UHFFFAOYSA-N 0 0 396.368 5.605 50 0 GKAARN Cc1ccccc1CSCC1N=NC(=S)N1c1ccc(F)c(Cl)c1 ZINC000006401688 570405071 /nfs/dbraw/zinc/40/50/71/570405071.db2.gz OXOZAEWUNNLTGF-UHFFFAOYSA-N 0 0 379.913 5.090 50 0 GKAARN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NCc1ccccc1 ZINC000004779435 570405255 /nfs/dbraw/zinc/40/52/55/570405255.db2.gz VMRQSKFHHUXQGP-UHFFFAOYSA-N 0 0 375.512 5.093 50 0 GKAARN Brc1ccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000033298234 570405344 /nfs/dbraw/zinc/40/53/44/570405344.db2.gz RZXNHJYBKOXFIH-UHFFFAOYSA-N 0 0 398.285 5.213 50 0 GKAARN CCOc1cccc(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)c1 ZINC000033282186 570405627 /nfs/dbraw/zinc/40/56/27/570405627.db2.gz VWBQYOOXWUYGRC-UHFFFAOYSA-N 0 0 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570408542 /nfs/dbraw/zinc/40/85/42/570408542.db2.gz OLSTYBIEUXDMBT-UHFFFAOYSA-N 0 0 389.377 5.025 50 0 GKAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-c2ccccc2F)o1 ZINC000004820531 570408647 /nfs/dbraw/zinc/40/86/47/570408647.db2.gz DAKHHLOCYBJTPG-UHFFFAOYSA-N 0 0 378.428 5.385 50 0 GKAARN O=C(/C(=C/c1ccc(Br)cc1)c1cccs1)N1CCCCC1 ZINC000040050821 570409471 /nfs/dbraw/zinc/40/94/71/570409471.db2.gz CLVBQDDRZWZLME-DTQAZKPQSA-N 0 0 376.319 5.064 50 0 GKAARN CN(C(=O)/C=C/c1cccc2ccccc12)[C@H](c1ccccc1)c1ccccn1 ZINC000040134801 570409856 /nfs/dbraw/zinc/40/98/56/570409856.db2.gz WWCBMASUFXNQTL-VRAYXWLRSA-N 0 0 378.475 5.496 50 0 GKAARN Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000004840151 570410253 /nfs/dbraw/zinc/41/02/53/570410253.db2.gz WPSOUZRASGVENL-UHFFFAOYSA-N 0 0 380.447 5.653 50 0 GKAARN Cc1cc(NC(=O)CCc2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000004840516 570410267 /nfs/dbraw/zinc/41/02/67/570410267.db2.gz LCWWCNLARKWBAO-UHFFFAOYSA-N 0 0 398.462 5.565 50 0 GKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000004839486 570410316 /nfs/dbraw/zinc/41/03/16/570410316.db2.gz VRXMPPVTMKYADG-UHFFFAOYSA-N 0 0 376.670 6.566 50 0 GKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000035671348 570411284 /nfs/dbraw/zinc/41/12/84/570411284.db2.gz LQJRSAUFWDYFEH-HNNXBMFYSA-N 0 0 395.528 5.510 50 0 GKAARN Cc1sc(NC(=O)c2ccco2)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000035671278 570411396 /nfs/dbraw/zinc/41/13/96/570411396.db2.gz KROXIHWAGJKYLY-UHFFFAOYSA-N 0 0 379.441 5.236 50 0 GKAARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000035672313 570411629 /nfs/dbraw/zinc/41/16/29/570411629.db2.gz AVNNBSDMBSCUNV-UHFFFAOYSA-N 0 0 383.860 5.474 50 0 GKAARN CCCCc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c32)cc1 ZINC000035672154 570411756 /nfs/dbraw/zinc/41/17/56/570411756.db2.gz WGUGDXBMFIZHTN-UHFFFAOYSA-N 0 0 393.487 5.008 50 0 GKAARN Cc1cccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 ZINC000005070746 570412052 /nfs/dbraw/zinc/41/20/52/570412052.db2.gz 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CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 ZINC000006429376 570412685 /nfs/dbraw/zinc/41/26/85/570412685.db2.gz KZCABKAJBJWHCK-UHFFFAOYSA-N 0 0 396.512 5.558 50 0 GKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006123803 570413134 /nfs/dbraw/zinc/41/31/34/570413134.db2.gz MHJXJARRDNJQOA-VIFPVBQESA-N 0 0 394.245 6.132 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)noc1-c1ccc(Cl)cc1 ZINC000035681742 570413404 /nfs/dbraw/zinc/41/34/04/570413404.db2.gz ZBEDKILDERHTEM-UHFFFAOYSA-N 0 0 377.227 5.218 50 0 GKAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C)c2)cc1 ZINC000004865733 570413629 /nfs/dbraw/zinc/41/36/29/570413629.db2.gz YFXRMBAPPRNXKX-UHFFFAOYSA-N 0 0 383.451 5.109 50 0 GKAARN Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(C(C)(C)C)nc(C)c12 ZINC000025432883 570413665 /nfs/dbraw/zinc/41/36/65/570413665.db2.gz ZFFLLAYDVICWKK-UHFFFAOYSA-N 0 0 379.529 5.199 50 0 GKAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000013001823 570413825 /nfs/dbraw/zinc/41/38/25/570413825.db2.gz 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570415196 /nfs/dbraw/zinc/41/51/96/570415196.db2.gz YYBHVXNJMDBRHT-UHFFFAOYSA-N 0 0 382.507 6.121 50 0 aggregator GKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000025572870 570415957 /nfs/dbraw/zinc/41/59/57/570415957.db2.gz RLWASFGQVCIKHC-GGAORHGYSA-N 0 0 392.861 6.030 50 0 GKAARN CC(C)C[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025582316 570416289 /nfs/dbraw/zinc/41/62/89/570416289.db2.gz HEJHROXTSAOEQC-UYAOXDASSA-N 0 0 375.299 5.909 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C ZINC000005099418 570416327 /nfs/dbraw/zinc/41/63/27/570416327.db2.gz JKGMFLMRWDALRV-UHFFFAOYSA-N 0 0 390.508 5.210 50 0 GKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000005099423 570416391 /nfs/dbraw/zinc/41/63/91/570416391.db2.gz LETAUXVJELRIOS-UHFFFAOYSA-N 0 0 396.899 5.247 50 0 GKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccs1)O2 ZINC000025582896 570416474 /nfs/dbraw/zinc/41/64/74/570416474.db2.gz JAKARRLCNQEAFL-DENIHFKCSA-N 0 0 376.481 5.389 50 0 GKAARN COc1ccccc1-c1cc(CSc2nc(C)c(C)n2C2CCCCC2)on1 ZINC000025592814 570416623 /nfs/dbraw/zinc/41/66/23/570416623.db2.gz ZTVGJKCEGWFJJW-UHFFFAOYSA-N 0 0 397.544 5.961 50 0 GKAARN O=C(CCC(=O)c1ccc(Cl)s1)N[C@@H](c1cccs1)c1ccccc1 ZINC000025606265 570416815 /nfs/dbraw/zinc/41/68/15/570416815.db2.gz MRGVTGPPPBWHKO-LJQANCHMSA-N 0 0 389.929 5.332 50 0 GKAARN O=C(CCC(=O)c1ccc(Cl)s1)N[C@H](c1cccs1)c1ccccc1 ZINC000025606259 570416819 /nfs/dbraw/zinc/41/68/19/570416819.db2.gz MRGVTGPPPBWHKO-IBGZPJMESA-N 0 0 389.929 5.332 50 0 GKAARN Cn1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c2ccccc21 ZINC000025613529 570417102 /nfs/dbraw/zinc/41/71/02/570417102.db2.gz YPPHSRUXGUCTJQ-UHFFFAOYSA-N 0 0 384.439 5.075 50 0 GKAARN Cc1ccc(Oc2nc(-c3ccccn3)nc3ccccc32)c(Br)c1 ZINC000005101026 570417473 /nfs/dbraw/zinc/41/74/73/570417473.db2.gz MMDBQYYZVJFJAW-UHFFFAOYSA-N 0 0 392.256 5.555 50 0 GKAARN C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004912170 570417551 /nfs/dbraw/zinc/41/75/51/570417551.db2.gz NERFKCFNRRSNBD-LXXRFIIISA-N 0 0 379.500 5.266 50 0 GKAARN CCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000004912636 570417588 /nfs/dbraw/zinc/41/75/88/570417588.db2.gz RSUXVMLPXMHCNY-INIZCTEOSA-N 0 0 393.870 5.425 50 0 GKAARN CC1=C2CC[C@H]3[C@H]4CC[C@@H](C(=O)c5ccc(F)cc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000025666351 570417653 /nfs/dbraw/zinc/41/76/53/570417653.db2.gz WNGRBEAUTJGOIR-FNLBEDGWSA-N 0 0 380.547 6.978 50 0 GKAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000013012382 570417858 /nfs/dbraw/zinc/41/78/58/570417858.db2.gz TUPCKGRZZQZKOT-ZDUSSCGKSA-N 0 0 382.510 5.380 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)C1CCCC1 ZINC000005106860 570418114 /nfs/dbraw/zinc/41/81/14/570418114.db2.gz ZRKTXJYULSMSOP-UHFFFAOYSA-N 0 0 382.847 5.467 50 0 GKAARN S=C1N=C2CCC(Cc3ccc(Cl)cc3)=C2[C@@H](c2ccc(Cl)cc2)N1 ZINC000210101673 570418179 /nfs/dbraw/zinc/41/81/79/570418179.db2.gz USQIODOIPOLTQK-KWRJMZDGSA-N 0 0 387.335 5.644 50 0 GKAARN COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000100629819 570418188 /nfs/dbraw/zinc/41/81/88/570418188.db2.gz ZCLZVLQOODFPDZ-JOCHJYFZSA-N 0 0 378.472 5.575 50 0 GKAARN CC(C)(C)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000005106940 570418192 /nfs/dbraw/zinc/41/81/92/570418192.db2.gz AUTBTEPMRGLSME-UHFFFAOYSA-N 0 0 388.826 5.462 50 0 GKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000100629914 570418269 /nfs/dbraw/zinc/41/82/69/570418269.db2.gz KBWFFLZPBVAGJG-QFIPXVFZSA-N 0 0 375.472 5.284 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1cccc(F)c1 ZINC000022650689 570418342 /nfs/dbraw/zinc/41/83/42/570418342.db2.gz MEIQKNCXFNFPIG-ZDUSSCGKSA-N 0 0 391.508 5.856 50 0 GKAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)nc2c(C)c1 ZINC000005107719 570418347 /nfs/dbraw/zinc/41/83/47/570418347.db2.gz CJMOLDYGNINCOP-IBGZPJMESA-N 0 0 397.588 5.136 50 0 GKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)CCC1CCCC1 ZINC000022651148 570418367 /nfs/dbraw/zinc/41/83/67/570418367.db2.gz QIDLTQLDMMOPSX-MRXNPFEDSA-N 0 0 399.556 5.986 50 0 GKAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1ccc(F)c(F)c1 ZINC000005108265 570418809 /nfs/dbraw/zinc/41/88/09/570418809.db2.gz FMSMYKPICYNAHU-UHFFFAOYSA-N 0 0 392.858 5.023 50 0 GKAARN Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000025781753 570419526 /nfs/dbraw/zinc/41/95/26/570419526.db2.gz GRBWMFCMLAPCGS-UNMCSNQZSA-N 0 0 378.834 5.721 50 0 GKAARN CCc1ccccc1N(CC)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000004954229 570419780 /nfs/dbraw/zinc/41/97/80/570419780.db2.gz HHUKFFRGTKBBQY-UHFFFAOYSA-N 0 0 390.508 5.280 50 0 GKAARN CCCc1sc(NC=C2Sc3ccccc3C2=O)c(C(=O)OCC)c1C ZINC000006996062 570420345 /nfs/dbraw/zinc/42/03/45/570420345.db2.gz SKSRPLPLQHFYOM-WJDWOHSUSA-N 0 0 387.526 5.428 50 0 GKAARN O=C(CCCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cccs1 ZINC000025904195 570420800 /nfs/dbraw/zinc/42/08/00/570420800.db2.gz PETLKPIBEODFGW-QFIPXVFZSA-N 0 0 395.549 5.337 50 0 GKAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C(=O)c2ccccc2)CC1 ZINC000025946955 570421114 /nfs/dbraw/zinc/42/11/14/570421114.db2.gz NTOBJIYXBLUDGV-HNNXBMFYSA-N 0 0 383.442 5.087 50 0 GKAARN COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 ZINC000005125189 570421124 /nfs/dbraw/zinc/42/11/24/570421124.db2.gz OVSFSTLXGVHTEH-UHFFFAOYSA-N 0 0 379.268 5.378 50 0 GKAARN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000025991420 570421184 /nfs/dbraw/zinc/42/11/84/570421184.db2.gz FHUGLBYAVXFXEE-ZHALLVOQSA-N 0 0 380.488 5.293 50 0 GKAARN C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000004978960 570421227 /nfs/dbraw/zinc/42/12/27/570421227.db2.gz HHMJBFBHRKPPND-INIZCTEOSA-N 0 0 389.886 5.229 50 0 GKAARN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000025991412 570421213 /nfs/dbraw/zinc/42/12/13/570421213.db2.gz FHUGLBYAVXFXEE-YQVWRLOYSA-N 0 0 380.488 5.293 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl ZINC000005125884 570421457 /nfs/dbraw/zinc/42/14/57/570421457.db2.gz GLXFMDTZINFYMM-UHFFFAOYSA-N 0 0 377.831 5.144 50 0 GKAARN CCOc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)ccc1OC ZINC000004985898 570421478 /nfs/dbraw/zinc/42/14/78/570421478.db2.gz ZBLKSFWWHHFLLR-UHFFFAOYSA-N 0 0 396.490 6.237 50 0 GKAARN Fc1ccc([C@H]2CC(c3cccs3)=NN2C(=S)NCc2ccccc2)cc1 ZINC000004995937 570422359 /nfs/dbraw/zinc/42/23/59/570422359.db2.gz UDOURWWPOWOYQZ-LJQANCHMSA-N 0 0 395.528 5.113 50 0 GKAARN O=C(Nc1cccc2ccccc21)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000001774846 570422843 /nfs/dbraw/zinc/42/28/43/570422843.db2.gz VCMVHBHMGOMKBX-UHFFFAOYSA-N 0 0 390.442 5.581 50 0 GKAARN CCCCCOC(=O)[C@@H](C)n1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000001778490 570423005 /nfs/dbraw/zinc/42/30/05/570423005.db2.gz JTCVVCDHHDEDBK-MRXNPFEDSA-N 0 0 398.528 5.036 50 0 GKAARN CCCCCOC(=O)[C@H](C)n1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000001778492 570423071 /nfs/dbraw/zinc/42/30/71/570423071.db2.gz JTCVVCDHHDEDBK-INIZCTEOSA-N 0 0 398.528 5.036 50 0 GKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(N2CCCCC2)cc1 ZINC000001775427 570423171 /nfs/dbraw/zinc/42/31/71/570423171.db2.gz UMXODBFICDYHEU-UHFFFAOYSA-N 0 0 389.499 5.454 50 0 GKAARN CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000001774612 570423174 /nfs/dbraw/zinc/42/31/74/570423174.db2.gz KYWXTSFMSHPESQ-UHFFFAOYSA-N 0 0 382.412 5.518 50 0 GKAARN CCc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000032950902 570423646 /nfs/dbraw/zinc/42/36/46/570423646.db2.gz FKPHHGIUJWRYCZ-UHFFFAOYSA-N 0 0 398.510 5.396 50 0 GKAARN O=C(Nc1nnc(CC(c2ccccc2)c2ccccc2)s1)c1cccs1 ZINC000005013308 570423706 /nfs/dbraw/zinc/42/37/06/570423706.db2.gz JROUIKFHCDDNTG-UHFFFAOYSA-N 0 0 391.521 5.227 50 0 GKAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc(OC(C)C)cc1 ZINC000005137067 570423833 /nfs/dbraw/zinc/42/38/33/570423833.db2.gz ZVNAWSRKLWIRKE-UHFFFAOYSA-N 0 0 398.503 5.017 50 0 GKAARN Cc1cccc(C(=O)N[C@H](Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)c1 ZINC000001787014 570424540 /nfs/dbraw/zinc/42/45/40/570424540.db2.gz 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570425929 /nfs/dbraw/zinc/42/59/29/570425929.db2.gz ALRZHDIOWZCOAK-UHFFFAOYSA-N 0 0 387.913 5.935 50 0 GKAARN CCCCCCc1c(C)c2cc(Cl)c(OCC(=O)C(C)(C)C)cc2oc1=O ZINC000001806207 570426052 /nfs/dbraw/zinc/42/60/52/570426052.db2.gz FIOHDNWQLJZYNH-UHFFFAOYSA-N 0 0 392.923 5.872 50 0 GKAARN FC(F)Oc1ccc(Cl)cc1CSc1nnc2c3ccccc3[nH]c2n1 ZINC000006455274 570426203 /nfs/dbraw/zinc/42/62/03/570426203.db2.gz CCLAXXPZGANRKV-UHFFFAOYSA-N 0 0 392.818 5.053 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)cc1 ZINC000005048727 570426281 /nfs/dbraw/zinc/42/62/81/570426281.db2.gz FNDFADDJSVPHAK-UHFFFAOYSA-N 0 0 395.462 5.421 50 0 GKAARN CC(=O)c1sc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)nc1C ZINC000006456070 570426391 /nfs/dbraw/zinc/42/63/91/570426391.db2.gz XGNWWJRPUJFUFM-UHFFFAOYSA-N 0 0 399.522 5.245 50 0 GKAARN O=C(CS[C@@H](CC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000001807332 570426445 /nfs/dbraw/zinc/42/64/45/570426445.db2.gz KSULZUFUBVYXSU-QFIPXVFZSA-N 0 0 375.493 5.373 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000005146320 570426725 /nfs/dbraw/zinc/42/67/25/570426725.db2.gz QEPPDQCSZNUDBO-UHFFFAOYSA-N 0 0 382.504 5.219 50 0 GKAARN C[C@@H](CNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)c1ccccc1 ZINC000005145173 570426782 /nfs/dbraw/zinc/42/67/82/570426782.db2.gz MQBUDPPMWMNJEK-KRWDZBQOSA-N 0 0 393.556 5.066 50 0 GKAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC[C@@H]1c1cccnc1 ZINC000026565573 570426861 /nfs/dbraw/zinc/42/68/61/570426861.db2.gz SOOGHUJWEPFXAP-HSZRJFAPSA-N 0 0 381.479 5.062 50 0 GKAARN CC(C)(C)c1ccc(OCc2nn3c(nnc3-c3ccccc3Cl)s2)cc1 ZINC000005054969 570427012 /nfs/dbraw/zinc/42/70/12/570427012.db2.gz RHTVJRUAEMNQCS-UHFFFAOYSA-N 0 0 398.919 5.383 50 0 GKAARN C[C@H](CNc1nc2ccccc2c2nc(-c3ccccc3)nn21)c1ccccc1 ZINC000005055230 570427076 /nfs/dbraw/zinc/42/70/76/570427076.db2.gz AQDLHOLQXQWQNO-QGZVFWFLSA-N 0 0 379.467 5.160 50 0 GKAARN CCc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 ZINC000005146524 570427176 /nfs/dbraw/zinc/42/71/76/570427176.db2.gz 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/nfs/dbraw/zinc/42/83/10/570428310.db2.gz GZLYIUFGNCCSTO-QFIPXVFZSA-N 0 0 380.850 5.843 50 0 GKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1Cl ZINC000005073958 570428419 /nfs/dbraw/zinc/42/84/19/570428419.db2.gz YYMFHWGBNARGDA-NRFANRHFSA-N 0 0 397.305 6.358 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000005150555 570428560 /nfs/dbraw/zinc/42/85/60/570428560.db2.gz UCKMGHHFMBBMSR-UHFFFAOYSA-N 0 0 392.332 6.580 50 0 GKAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2ccc3ncsc3c2)cc1 ZINC000026793760 570428946 /nfs/dbraw/zinc/42/89/46/570428946.db2.gz WYLOWSWIBMZQJT-UHFFFAOYSA-N 0 0 390.512 5.091 50 0 GKAARN Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000005102170 570429159 /nfs/dbraw/zinc/42/91/59/570429159.db2.gz UCTOZIGYZCXGFA-QGZVFWFLSA-N 0 0 384.431 5.419 50 0 GKAARN Oc1cccc2ccc(/C=C/c3cc(Cl)cc(Br)c3O)nc12 ZINC000005101929 570429168 /nfs/dbraw/zinc/42/91/68/570429168.db2.gz OKDVLXSBFXKCBA-FNORWQNLSA-N 0 0 376.637 5.232 50 0 GKAARN CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2nccs2)cc1 ZINC000005101627 570429349 /nfs/dbraw/zinc/42/93/49/570429349.db2.gz QYGYAAYDHSXCPM-FQEVSTJZSA-N 0 0 376.525 5.213 50 0 GKAARN Cc1cc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1Br ZINC000005107054 570429736 /nfs/dbraw/zinc/42/97/36/570429736.db2.gz NPBGFBAUFSBONK-LLVKDONJSA-N 0 0 384.726 5.530 50 0 GKAARN C[S@](=O)c1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1 ZINC000005116013 570429801 /nfs/dbraw/zinc/42/98/01/570429801.db2.gz GABQPFWIQFRJSE-JOCHJYFZSA-N 0 0 375.664 5.053 50 0 GKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000005156871 570430357 /nfs/dbraw/zinc/43/03/57/570430357.db2.gz UHBLMCNEMNKSCZ-UHFFFAOYSA-N 0 0 399.490 5.159 50 0 GKAARN Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)cc1 ZINC000026964308 570430608 /nfs/dbraw/zinc/43/06/08/570430608.db2.gz PDKKKSGNWCDRRU-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000005174279 570430752 /nfs/dbraw/zinc/43/07/52/570430752.db2.gz 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5.718 50 0 GKAARN CC(C)CNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000005155825 570433808 /nfs/dbraw/zinc/43/38/08/570433808.db2.gz ZCNOIBJJRPFBJX-UHFFFAOYSA-N 0 0 398.576 5.357 50 0 GKAARN O=C(Nc1c2ccccc2[nH]c1-c1cccnc1)Nc1cccc(C(F)(F)F)c1 ZINC000032953988 570434554 /nfs/dbraw/zinc/43/45/54/570434554.db2.gz RBQXMSXJVJEHIR-UHFFFAOYSA-N 0 0 396.372 5.893 50 0 GKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)cc1 ZINC000027489507 570434978 /nfs/dbraw/zinc/43/49/78/570434978.db2.gz BDBKVMZDRRXTOZ-CVEARBPZSA-N 0 0 394.441 5.032 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000100712777 570435196 /nfs/dbraw/zinc/43/51/96/570435196.db2.gz SLMCRVZHKWTHCI-HXUWFJFHSA-N 0 0 387.310 6.865 50 0 GKAARN CCCCc1nc2sc3c(ncnc3N(CC)CC)c2c2c1COC(C)(C)C2 ZINC000001823321 570436599 /nfs/dbraw/zinc/43/65/99/570436599.db2.gz IKHJGEWUSXEBEG-UHFFFAOYSA-N 0 0 398.576 5.280 50 0 GKAARN Clc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccc(Cl)cc2)cc1 ZINC000005379332 570436613 /nfs/dbraw/zinc/43/66/13/570436613.db2.gz BDSMXLUZOSFQEI-GGAORHGYSA-N 0 0 393.317 6.521 50 0 GKAARN CC(C)c1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)cc1 ZINC000013073757 570436753 /nfs/dbraw/zinc/43/67/53/570436753.db2.gz QLPBOBAJCUNTSA-UHFFFAOYSA-N 0 0 386.952 5.474 50 0 GKAARN COc1ccc(CN(CC[C@@H](c2ccc(OC(C)C)cc2)C(C)C)C(C)=O)cc1 ZINC000001834688 570436780 /nfs/dbraw/zinc/43/67/80/570436780.db2.gz QMBGNVYXGLACJE-RUZDIDTESA-N 0 0 397.559 5.661 50 0 biogenic GKAARN CSc1ccc(/C=C2/N=C(c3ccccc3)N(Nc3ccccc3)C2=O)cc1 ZINC000001831731 570436918 /nfs/dbraw/zinc/43/69/18/570436918.db2.gz BQUWCXOBFFVSQV-LTGZKZEYSA-N 0 0 385.492 5.066 50 0 GKAARN Cc1cccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)c1 ZINC000027585939 570437079 /nfs/dbraw/zinc/43/70/79/570437079.db2.gz RHEKTOUBWCTHHV-UHFFFAOYSA-N 0 0 376.463 6.115 50 0 GKAARN Cc1nn2c(nc(C)cc2Nc2ccc(Cl)c(Cl)c2)c1-c1ccc(C)cc1 ZINC000027585806 570437093 /nfs/dbraw/zinc/43/70/93/570437093.db2.gz DWBOLBLJJKTPAL-UHFFFAOYSA-N 0 0 397.309 6.372 50 0 GKAARN Cc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn32)cc1 ZINC000027585642 570437118 /nfs/dbraw/zinc/43/71/18/570437118.db2.gz QQRCLSQVRPFPNZ-UHFFFAOYSA-N 0 0 382.389 5.776 50 0 GKAARN CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C)nn32)cc1 ZINC000027585498 570437143 /nfs/dbraw/zinc/43/71/43/570437143.db2.gz AMSSXAMCGHTHQX-UHFFFAOYSA-N 0 0 392.890 5.809 50 0 GKAARN Fc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027585975 570437151 /nfs/dbraw/zinc/43/71/51/570437151.db2.gz OLPJLCIXHKMKDO-UHFFFAOYSA-N 0 0 380.426 5.946 50 0 GKAARN Cc1cc(N2C[C@H](C)C[C@H](C)C2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585711 570437235 /nfs/dbraw/zinc/43/72/35/570437235.db2.gz UNGUQFISJMGSJW-OKILXGFUSA-N 0 0 388.437 5.206 50 0 GKAARN Cc1ccccc1NC(=O)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000001856227 570437611 /nfs/dbraw/zinc/43/76/11/570437611.db2.gz VDJFQOLDDITTFE-UHFFFAOYSA-N 0 0 392.299 5.016 50 0 GKAARN CCCOc1c(Cl)cc(C(=O)Nc2nonc2-c2ccccc2)cc1Cl ZINC000027663404 570438662 /nfs/dbraw/zinc/43/86/62/570438662.db2.gz FXDYDCAIBFVXDG-UHFFFAOYSA-N 0 0 392.242 5.085 50 0 GKAARN COc1cccc(SCC(=O)N2c3ccccc3CCc3ccccc32)c1 ZINC000027663174 570438709 /nfs/dbraw/zinc/43/87/09/570438709.db2.gz YJVCEUZLFKQJKN-UHFFFAOYSA-N 0 0 375.493 5.251 50 0 GKAARN CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(C(=O)OC)cc3)c2c1 ZINC000001892376 570438870 /nfs/dbraw/zinc/43/88/70/570438870.db2.gz ZMDGSBSFOVFLBQ-XTCLZLMSSA-N 0 0 383.447 5.681 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)no2)cc1 ZINC000027664258 570439173 /nfs/dbraw/zinc/43/91/73/570439173.db2.gz ZLRYBXQBJJQVOD-UHFFFAOYSA-N 0 0 382.419 5.133 50 0 GKAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 ZINC000027663597 570439198 /nfs/dbraw/zinc/43/91/98/570439198.db2.gz SAGOUDJBFCRHGO-UHFFFAOYSA-N 0 0 390.870 5.945 50 0 GKAARN CCOc1cccc(-c2cc(-c3n[nH]c(=S)n3CC)c3ccccc3n2)c1 ZINC000005432303 570439256 /nfs/dbraw/zinc/43/92/56/570439256.db2.gz CGLMMUNUGSJUJK-UHFFFAOYSA-N 0 0 376.485 5.241 50 0 GKAARN CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000027666538 570439753 /nfs/dbraw/zinc/43/97/53/570439753.db2.gz VHEUKEKGBLYJRO-HSZRJFAPSA-N 0 0 375.553 5.055 50 0 GKAARN Cc1ccccc1COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000011865224 570440393 /nfs/dbraw/zinc/44/03/93/570440393.db2.gz QBLRBTJKGKZUTI-UHFFFAOYSA-N 0 0 390.866 6.309 50 0 GKAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000005451872 570440517 /nfs/dbraw/zinc/44/05/17/570440517.db2.gz WDTDVACPFHFYNY-HXUWFJFHSA-N 0 0 395.462 5.672 50 0 GKAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1cccs1)c1ccccn1 ZINC000027742279 570441277 /nfs/dbraw/zinc/44/12/77/570441277.db2.gz UYTBECBZRHQOED-UHFFFAOYSA-N 0 0 382.872 5.698 50 0 GKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1ccc(F)cc1 ZINC000027744407 570441306 /nfs/dbraw/zinc/44/13/06/570441306.db2.gz SLFUUDNVRGXCLG-LJQANCHMSA-N 0 0 392.861 5.522 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(C)cc3C)c2c1 ZINC000011866477 570441379 /nfs/dbraw/zinc/44/13/79/570441379.db2.gz NVNOFCJAPHVWRV-UHFFFAOYSA-N 0 0 385.463 6.368 50 0 GKAARN Cc1cccc(C)c1OCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027746904 570441714 /nfs/dbraw/zinc/44/17/14/570441714.db2.gz XJMSDHQPAMZALY-JOCHJYFZSA-N 0 0 398.506 5.112 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(=O)[nH]c(=S)[nH]c3n2)cc1 ZINC000005490747 570442172 /nfs/dbraw/zinc/44/21/72/570442172.db2.gz APBXLKHPQHMFON-UHFFFAOYSA-N 0 0 379.872 5.277 50 0 GKAARN CCc1ccc(CC)c(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)c1 ZINC000027793475 570443056 /nfs/dbraw/zinc/44/30/56/570443056.db2.gz UUFXKISCBAYUAP-UHFFFAOYSA-N 0 0 395.459 5.468 50 0 GKAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1C ZINC000027794146 570443126 /nfs/dbraw/zinc/44/31/26/570443126.db2.gz XBHGNRBTNBPIIQ-GOSISDBHSA-N 0 0 385.463 6.123 50 0 GKAARN O=C(COc1ccccc1Cl)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000027795737 570443519 /nfs/dbraw/zinc/44/35/19/570443519.db2.gz SDHMBPRHDPURHZ-UHFFFAOYSA-N 0 0 376.239 5.199 50 0 GKAARN Cc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)c2cccc(Cl)c2)cc1 ZINC000027795417 570443529 /nfs/dbraw/zinc/44/35/29/570443529.db2.gz GYVUHVRQQHTAKZ-HSZRJFAPSA-N 0 0 388.898 5.991 50 0 GKAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1)Nc1ccccc1F ZINC000035768502 570444106 /nfs/dbraw/zinc/44/41/06/570444106.db2.gz KVZFSPPLBVZVFE-SFHVURJKSA-N 0 0 376.406 5.607 50 0 GKAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2csc(C)n2)cc1 ZINC000027865788 570444671 /nfs/dbraw/zinc/44/46/71/570444671.db2.gz UGGVXJPRRSGCPG-OAQYLSRUSA-N 0 0 393.512 5.007 50 0 GKAARN Cc1nn2c(nc(C)cc2SCC(=O)c2cccs2)c1-c1ccccc1 ZINC000005562370 570446276 /nfs/dbraw/zinc/44/62/76/570446276.db2.gz KPJSSYRKHIOJOK-UHFFFAOYSA-N 0 0 379.510 5.050 50 0 aggregator GKAARN COc1ccc(-c2cc(-c3ccccc3)nc3oc(-c4ccccc4)nc32)cc1 ZINC000005570192 570446877 /nfs/dbraw/zinc/44/68/77/570446877.db2.gz FPLWYYDFXFNGHK-UHFFFAOYSA-N 0 0 378.431 6.232 50 0 GKAARN COc1ccc(C2N=NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 ZINC000005578671 570447257 /nfs/dbraw/zinc/44/72/57/570447257.db2.gz NWHOEKOSUZMPOC-UHFFFAOYSA-N 0 0 375.453 5.024 50 0 GKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000011914658 570447661 /nfs/dbraw/zinc/44/76/61/570447661.db2.gz WMFOADWQMVKFAH-UHFFFAOYSA-N 0 0 391.427 5.141 50 0 GKAARN CCCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccc4ccccc43)=NN21 ZINC000005591149 570447742 /nfs/dbraw/zinc/44/77/42/570447742.db2.gz UVWIZQWWJMKJEP-UPVQGACJSA-N 0 0 390.914 6.553 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000011914512 570447773 /nfs/dbraw/zinc/44/77/73/570447773.db2.gz QWFHVRYWBXTXLH-AWEZNQCLSA-N 0 0 392.455 5.508 50 0 GKAARN CCOc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027989035 570447775 /nfs/dbraw/zinc/44/77/75/570447775.db2.gz OUJPTRZVDWHVTQ-NRFANRHFSA-N 0 0 384.479 5.129 50 0 GKAARN CCc1ccc(N(Cc2cccs2)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027988948 570447796 /nfs/dbraw/zinc/44/77/96/570447796.db2.gz RKAXLPBIPPFBNM-UHFFFAOYSA-N 0 0 379.569 6.060 50 0 GKAARN Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(Cl)cc2)cc1C ZINC000011914638 570447801 /nfs/dbraw/zinc/44/78/01/570447801.db2.gz DVLKBUXPLQHGSO-UHFFFAOYSA-N 0 0 385.916 5.631 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000011914514 570447822 /nfs/dbraw/zinc/44/78/22/570447822.db2.gz BIPSLWSDDKRXSJ-UHFFFAOYSA-N 0 0 398.487 6.579 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Br)cc1 ZINC000011914734 570447845 /nfs/dbraw/zinc/44/78/45/570447845.db2.gz WBWYLMHAKRVKLG-UHFFFAOYSA-N 0 0 393.240 5.510 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Oc2ccccc2)cc1 ZINC000006477739 570447881 /nfs/dbraw/zinc/44/78/81/570447881.db2.gz AZYFBOKPPOYJDO-MSUUIHNZSA-N 0 0 380.447 5.467 50 0 GKAARN CCc1ccc(OCC(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 ZINC000027989717 570447968 /nfs/dbraw/zinc/44/79/68/570447968.db2.gz ZCVARJQWTVAYCV-UHFFFAOYSA-N 0 0 385.916 5.576 50 0 GKAARN Cc1nc2c(ccc3nc(NC(=O)c4ccc(OC(C)C)cc4)sc32)s1 ZINC000006479730 570447969 /nfs/dbraw/zinc/44/79/69/570447969.db2.gz LZCCLPVMDBGMDO-UHFFFAOYSA-N 0 0 383.498 5.254 50 0 GKAARN C=C/C=C(\C=C/C)CC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000001916693 570448395 /nfs/dbraw/zinc/44/83/95/570448395.db2.gz CNVQDGUNHIQBAD-RZZCFHBOSA-N 0 0 375.899 6.733 50 0 GKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ccccn1 ZINC000027990399 570448400 /nfs/dbraw/zinc/44/84/00/570448400.db2.gz OZAFKMQDTDNNEB-UHFFFAOYSA-N 0 0 396.899 6.007 50 0 GKAARN Cc1ccc(COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000001915512 570448473 /nfs/dbraw/zinc/44/84/73/570448473.db2.gz DLLMWGDMRQMVIC-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN Cc1ccc2nc(N=NCc3ccnc4ccccc34)nc(-c3ccccc3)c2c1 ZINC000252452497 570448617 /nfs/dbraw/zinc/44/86/17/570448617.db2.gz LSDXLPKCPYHSDD-UHFFFAOYSA-N 0 0 389.462 5.599 50 0 GKAARN c1ccc(-c2nc(N=NCc3cccc4cccnc43)nc3ccccc32)cc1 ZINC000252452334 570448695 /nfs/dbraw/zinc/44/86/95/570448695.db2.gz CJBLERKJVOPDHQ-UHFFFAOYSA-N 0 0 375.435 5.291 50 0 GKAARN CCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000027992690 570448768 /nfs/dbraw/zinc/44/87/68/570448768.db2.gz NJYAQICDVUUCNA-UHFFFAOYSA-N 0 0 382.435 5.692 50 0 GKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000005616354 570448915 /nfs/dbraw/zinc/44/89/15/570448915.db2.gz QBTBJVNXGIGCKU-UHFFFAOYSA-N 0 0 392.543 5.742 50 0 GKAARN CCCCCOc1ccc(/C=c2/oc3cccc4c(OC)ccc(c2=O)c34)cc1 ZINC000005614833 570448980 /nfs/dbraw/zinc/44/89/80/570448980.db2.gz ZVNKPOVXJHTGFA-XQNSMLJCSA-N 0 0 388.463 5.072 50 0 GKAARN O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000005622086 570449181 /nfs/dbraw/zinc/44/91/81/570449181.db2.gz XBKOSGNUZQQWAP-UHFFFAOYSA-N 0 0 399.368 5.489 50 0 GKAARN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccs1 ZINC000005616670 570449190 /nfs/dbraw/zinc/44/91/90/570449190.db2.gz JLACGJQSXVVJLL-UHFFFAOYSA-N 0 0 395.534 5.152 50 0 GKAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000028018035 570450084 /nfs/dbraw/zinc/45/00/84/570450084.db2.gz FFHFTSOZEUQQBA-OAHLLOKOSA-N 0 0 390.439 5.108 50 0 GKAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000005662257 570450268 /nfs/dbraw/zinc/45/02/68/570450268.db2.gz NCDXVKKVTAKXKF-UHFFFAOYSA-N 0 0 389.904 5.746 50 0 GKAARN CCCCc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001935159 570450390 /nfs/dbraw/zinc/45/03/90/570450390.db2.gz PVXUKPUUBMFYLO-UHFFFAOYSA-N 0 0 380.271 5.132 50 0 GKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(C)cc1 ZINC000001935383 570450718 /nfs/dbraw/zinc/45/07/18/570450718.db2.gz GXGBALWHXSGKPO-UHFFFAOYSA-N 0 0 399.899 5.806 50 0 GKAARN C[C@H]1CCO[P@@](=O)(C(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000005676325 570450955 /nfs/dbraw/zinc/45/09/55/570450955.db2.gz QAFHOWGDYORPLY-PPHZAIPVSA-N 0 0 378.408 5.997 50 0 GKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CCCCC1 ZINC000001945698 570451059 /nfs/dbraw/zinc/45/10/59/570451059.db2.gz IDSRHCNGDCOETC-UHFFFAOYSA-N 0 0 375.465 5.250 50 0 GKAARN O=C(c1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000005680444 570451390 /nfs/dbraw/zinc/45/13/90/570451390.db2.gz HVQSSESGWNUQTQ-RPLSTIEKSA-N 0 0 392.502 6.123 50 0 GKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(Br)cc1 ZINC000001957376 570451394 /nfs/dbraw/zinc/45/13/94/570451394.db2.gz UVLBWKCPOZHNAX-AUWJEWJLSA-N 0 0 397.055 5.100 50 0 GKAARN Cc1ccc(CSc2nc(-c3ccccc3)cc(=O)n2-c2ccccc2)c(C)c1 ZINC000005681611 570451544 /nfs/dbraw/zinc/45/15/44/570451544.db2.gz GJBSCPKOVFMRSD-UHFFFAOYSA-N 0 0 398.531 5.809 50 0 GKAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccccc2s1 ZINC000005701922 570451801 /nfs/dbraw/zinc/45/18/01/570451801.db2.gz SPTARWHTLFGLGZ-VOTSOKGWSA-N 0 0 379.268 5.264 50 0 GKAARN Cc1nc([C@@H](C)Nc2ccc(O[C@@H]3CCOC3)cc2)oc1-c1ccc(Cl)cc1 ZINC000130347658 570451816 /nfs/dbraw/zinc/45/18/16/570451816.db2.gz WCRXNXPOEGAVMT-FOIQADDNSA-N 0 0 398.890 5.644 50 0 GKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C2CCCCC2)cc1 ZINC000005715011 570452643 /nfs/dbraw/zinc/45/26/43/570452643.db2.gz KBHKRJMDQIGZAT-IFMALSPDSA-N 0 0 384.882 5.929 50 0 GKAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC/C=C/c4ccccc4)ccc23)cc1 ZINC000002106985 570452958 /nfs/dbraw/zinc/45/29/58/570452958.db2.gz MFHYPVRBQHGFGH-RMKNXTFCSA-N 0 0 398.458 5.869 50 0 biogenic GKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCCCCC2)cc1 ZINC000089453957 570453324 /nfs/dbraw/zinc/45/33/24/570453324.db2.gz QRVUQVZHKKXGEP-UHFFFAOYSA-N 0 0 390.527 5.569 50 0 GKAARN CC(C)c1ccc([C@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1 ZINC000002400724 570453447 /nfs/dbraw/zinc/45/34/47/570453447.db2.gz TYIJSHDAHBAIKY-JOCHJYFZSA-N 0 0 397.522 5.075 50 0 biogenic GKAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1cccs1)c1cccc(Cl)c1 ZINC000028287333 570454156 /nfs/dbraw/zinc/45/41/56/570454156.db2.gz HXUWEYZATFEEFP-UHFFFAOYSA-N 0 0 395.911 6.612 50 0 GKAARN O=C(N1CCc2ccccc2[C@H]1c1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000022656070 570454228 /nfs/dbraw/zinc/45/42/28/570454228.db2.gz GKDNCKBRIUXICI-XJVZSZGSSA-N 0 0 389.514 5.516 50 0 GKAARN Brc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000005739526 570454617 /nfs/dbraw/zinc/45/46/17/570454617.db2.gz ZWFKIXZXLGPQOX-XLIONFOSSA-N 0 0 395.256 5.284 50 0 GKAARN COc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000028287629 570454653 /nfs/dbraw/zinc/45/46/53/570454653.db2.gz DNZQNBNZIQRQDL-UHFFFAOYSA-N 0 0 391.492 5.967 50 0 GKAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn32)cc1 ZINC000002241755 570455470 /nfs/dbraw/zinc/45/54/70/570455470.db2.gz IJSAGNZMJWEPAS-UHFFFAOYSA-N 0 0 391.862 5.060 50 0 GKAARN Cc1ccc2cc(C(=O)Nc3ccc(-n4cccn4)cc3C(F)(F)F)ccc2n1 ZINC000126758008 570455463 /nfs/dbraw/zinc/45/54/63/570455463.db2.gz PWFJXPDQSWHPFP-UHFFFAOYSA-N 0 0 396.372 5.000 50 0 GKAARN S=C1N=NC(CSCc2c(Cl)cccc2Cl)N1c1ccccc1 ZINC000005757244 570455964 /nfs/dbraw/zinc/45/59/64/570455964.db2.gz ZHTQOJVKTLITCV-UHFFFAOYSA-N 0 0 382.341 5.296 50 0 GKAARN CCc1ccc(OC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)cc1 ZINC000028290472 570455963 /nfs/dbraw/zinc/45/59/63/570455963.db2.gz PGIKVFXLOOQQKW-UHFFFAOYSA-N 0 0 398.915 5.512 50 0 GKAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc3ccccc32)c1 ZINC000005777856 570456589 /nfs/dbraw/zinc/45/65/89/570456589.db2.gz KCBLFJXAJJNGNV-URXFXBBRSA-N 0 0 382.488 6.144 50 0 GKAARN Cc1cc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)cc(C)c1Cl ZINC000028292529 570456548 /nfs/dbraw/zinc/45/65/48/570456548.db2.gz JMUMVYSXWAYCTD-UHFFFAOYSA-N 0 0 398.865 5.103 50 0 GKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccccc1F)c1ccccn1 ZINC000028293729 570457466 /nfs/dbraw/zinc/45/74/66/570457466.db2.gz QEMSDZJPQRPYSY-UHFFFAOYSA-N 0 0 388.442 5.739 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000035818771 570457550 /nfs/dbraw/zinc/45/75/50/570457550.db2.gz VODHNZYBWNKANU-JOCHJYFZSA-N 0 0 391.490 5.562 50 0 GKAARN O=C(CCC1CCCC1)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035816222 570457760 /nfs/dbraw/zinc/45/77/60/570457760.db2.gz XXMDLFMVKLOJQV-DEOSSOPVSA-N 0 0 395.568 5.810 50 0 GKAARN O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000012376539 570458938 /nfs/dbraw/zinc/45/89/38/570458938.db2.gz NJBLNGHMYDOYOR-UHFFFAOYSA-N 0 0 381.475 6.104 50 0 GKAARN S=c1[nH]nc(CCn2c3ccccc3c3ccccc32)n1C1CCCCC1 ZINC000005858010 570459335 /nfs/dbraw/zinc/45/93/35/570459335.db2.gz IJQULVXOXZHRAV-UHFFFAOYSA-N 0 0 376.529 5.796 50 0 GKAARN COc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1Cl ZINC000006507625 570460497 /nfs/dbraw/zinc/46/04/97/570460497.db2.gz YTMUJJKETXJNGH-UHFFFAOYSA-N 0 0 375.799 5.098 50 0 GKAARN O=C(Cc1csc(-c2ccccc2)n1)NC(c1ccccc1)c1ccccc1 ZINC000006508159 570460513 /nfs/dbraw/zinc/46/05/13/570460513.db2.gz OEHPWTLFAGDOMT-UHFFFAOYSA-N 0 0 384.504 5.258 50 0 GKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@@H](C)C3 ZINC000006508077 570460521 /nfs/dbraw/zinc/46/05/21/570460521.db2.gz AQEGEFMAUCUEGX-LLVKDONJSA-N 0 0 390.961 5.337 50 0 GKAARN CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(C)cc32)cc1 ZINC000005904752 570461518 /nfs/dbraw/zinc/46/15/18/570461518.db2.gz WUZXQNMCCHNWIS-UHFFFAOYSA-N 0 0 389.886 5.672 50 0 GKAARN O=C(OCc1cccs1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000006510041 570462253 /nfs/dbraw/zinc/46/22/53/570462253.db2.gz FLABMZIPSOXXBT-UHFFFAOYSA-N 0 0 379.868 5.974 50 0 GKAARN Cc1cc(C)c(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)c(C)c1 ZINC000064439050 570462809 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/nfs/dbraw/zinc/51/94/60/570519460.db2.gz RTLUEKZRRFXLBW-UHFFFAOYSA-N 0 0 395.528 5.228 50 0 GKAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(F)c(Cl)c1 ZINC000064690552 570520309 /nfs/dbraw/zinc/52/03/09/570520309.db2.gz KWLRDGJYMOEYAX-UHFFFAOYSA-N 0 0 387.842 5.350 50 0 GKAARN CCCC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033115684 570520552 /nfs/dbraw/zinc/52/05/52/570520552.db2.gz AZJHVQHXNCOOKJ-HSZRJFAPSA-N 0 0 390.552 5.649 50 0 GKAARN Cc1cccc(C(=O)N2Cc3ccccc3-n3cccc3[C@H]2c2cccs2)c1 ZINC000033115626 570520568 /nfs/dbraw/zinc/52/05/68/570520568.db2.gz MZQBLGJGQQNMFJ-QHCPKHFHSA-N 0 0 384.504 5.593 50 0 GKAARN CCC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(C)c1)CCCC3 ZINC000033115705 570520613 /nfs/dbraw/zinc/52/06/13/570520613.db2.gz KOJYTCMVJCRNDE-QHCPKHFHSA-N 0 0 390.552 5.568 50 0 GKAARN O=C1C[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)no2)CN1c1ccccc1 ZINC000033115883 570520660 /nfs/dbraw/zinc/52/06/60/570520660.db2.gz SPVJQMDBWYIKRA-GOSISDBHSA-N 0 0 397.434 5.049 50 0 GKAARN 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ZINC000006659353 570522768 /nfs/dbraw/zinc/52/27/68/570522768.db2.gz VTOWGFHVIWDAPF-RUZDIDTESA-N 0 0 397.905 6.773 50 0 GKAARN CCc1sc(-c2cc3cccc(OC)c3oc2=O)nc1-c1ccc(C)cc1C ZINC000002964218 570522739 /nfs/dbraw/zinc/52/27/39/570522739.db2.gz SMCOCJADQSPRFF-UHFFFAOYSA-N 0 0 391.492 5.771 50 0 GKAARN CCOc1ccccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 ZINC000002961264 570522862 /nfs/dbraw/zinc/52/28/62/570522862.db2.gz XSDRHOLPYARJNB-UHFFFAOYSA-N 0 0 375.453 5.009 50 0 GKAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1cccs1 ZINC000002970551 570523730 /nfs/dbraw/zinc/52/37/30/570523730.db2.gz YMTVKSOKCYEMCI-UHFFFAOYSA-N 0 0 398.940 5.452 50 0 GKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 ZINC000002970267 570523779 /nfs/dbraw/zinc/52/37/79/570523779.db2.gz SRELTIHFJJNLEP-UHFFFAOYSA-N 0 0 386.520 5.240 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC000005235750 570523930 /nfs/dbraw/zinc/52/39/30/570523930.db2.gz LVNDZLDTVGQVFI-GOSISDBHSA-N 0 0 391.515 5.146 50 0 GKAARN ClC1(Cl)N2c3ccccc3S[C@H](c3ccccc3)C[C@]21c1ccccc1 ZINC000033949140 570524016 /nfs/dbraw/zinc/52/40/16/570524016.db2.gz MXRMHKOWACQSPK-SXNCYPNXSA-N 0 0 398.358 6.771 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000005235929 570524147 /nfs/dbraw/zinc/52/41/47/570524147.db2.gz ASLHNPHNZAXQRG-IBGZPJMESA-N 0 0 375.516 5.364 50 0 GKAARN Cc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1-c1nc2cccnc2s1 ZINC000002972264 570524182 /nfs/dbraw/zinc/52/41/82/570524182.db2.gz RJBZPICECMNGPZ-UHFFFAOYSA-N 0 0 393.899 5.501 50 0 GKAARN Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Cl)cn32)c(C)c1 ZINC000005248951 570524866 /nfs/dbraw/zinc/52/48/66/570524866.db2.gz PZIBTUYYBGQRNG-UHFFFAOYSA-N 0 0 386.886 6.496 50 0 GKAARN Cc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccccc2C)cc1 ZINC000005241229 570525186 /nfs/dbraw/zinc/52/51/86/570525186.db2.gz XQMIDGNRGFXKDM-UHFFFAOYSA-N 0 0 382.463 5.075 50 0 GKAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1C ZINC000003008332 570525783 /nfs/dbraw/zinc/52/57/83/570525783.db2.gz 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Cc1ccc(-c2cn3c(nc(-c4ccccc4)c3-c3ccccc3)n2CCO)cc1 ZINC000006668395 570527468 /nfs/dbraw/zinc/52/74/68/570527468.db2.gz OGAMDZCQHDDAPI-UHFFFAOYSA-N 0 0 393.490 5.438 50 0 GKAARN CCCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 ZINC000005257478 570527670 /nfs/dbraw/zinc/52/76/70/570527670.db2.gz OMRAMGDLAVYLFA-QOCHGBHMSA-N 0 0 377.340 6.556 50 0 GKAARN CC(C)c1oc([C@H]2CCCN2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1 ZINC000072308410 570528060 /nfs/dbraw/zinc/52/80/60/570528060.db2.gz UHYOTCOMLSQKFP-LEWJYISDSA-N 0 0 398.547 5.188 50 0 GKAARN Clc1ccc(NC2=NC[C@H](Cc3ccc(Br)cc3)S2)cc1 ZINC000003022431 570528081 /nfs/dbraw/zinc/52/80/81/570528081.db2.gz SEHOXRPEADYCMB-HNNXBMFYSA-N 0 0 381.726 5.229 50 0 GKAARN CC(C)c1oc([C@@H]2CCCN2CCOC[C@@H]2CCCCO2)nc1-c1ccccc1 ZINC000072308409 570528149 /nfs/dbraw/zinc/52/81/49/570528149.db2.gz UHYOTCOMLSQKFP-SFTDATJTSA-N 0 0 398.547 5.188 50 0 GKAARN COc1ccc(Nc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)cc1 ZINC000006671594 570528455 /nfs/dbraw/zinc/52/84/55/570528455.db2.gz 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ZINC000008382517 570530069 /nfs/dbraw/zinc/53/00/69/570530069.db2.gz SHSPVABKBNFNEV-UHFFFAOYSA-N 0 0 392.867 5.433 50 0 GKAARN Cc1c(C)n(-c2ccc(F)cc2)c2nc(C)nc(Nc3ccc(C(C)C)cc3)c12 ZINC000032960551 570530214 /nfs/dbraw/zinc/53/02/14/570530214.db2.gz CYINQLBKTZAKEI-UHFFFAOYSA-N 0 0 388.490 6.352 50 0 GKAARN Cc1sc(NC(=O)c2ccccc2C)c(-c2nc3ccccc3s2)c1C ZINC000005255677 570530304 /nfs/dbraw/zinc/53/03/04/570530304.db2.gz DZBBKIFSEVFFEH-UHFFFAOYSA-N 0 0 378.522 6.202 50 0 GKAARN Cc1sc(NC(=O)Cc2ccccc2)c(-c2nc3ccccc3s2)c1C ZINC000005255694 570530433 /nfs/dbraw/zinc/53/04/33/570530433.db2.gz OCALYDVXQHXYEZ-UHFFFAOYSA-N 0 0 378.522 5.823 50 0 GKAARN Cl[C@]1(c2ccccc2)C[C@H]1c1ccccc1[C@H]1C[C@@]1(Cl)c1ccccc1 ZINC000008385038 570530666 /nfs/dbraw/zinc/53/06/66/570530666.db2.gz ZTMAZDZHIQGQFI-WAPCQROESA-N 0 0 379.330 6.930 50 0 GKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1ccc(F)c(Cl)c1 ZINC000032960728 570530769 /nfs/dbraw/zinc/53/07/69/570530769.db2.gz GBAFSTKCIQGLLK-UHFFFAOYSA-N 0 0 393.849 5.393 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1ccccc1 ZINC000032960631 570531088 /nfs/dbraw/zinc/53/10/88/570531088.db2.gz CPYANOZQQDONOZ-OAQYLSRUSA-N 0 0 383.495 5.480 50 0 GKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000003044591 570531136 /nfs/dbraw/zinc/53/11/36/570531136.db2.gz MFODHPWGSPUUIN-GOSISDBHSA-N 0 0 381.479 5.048 50 0 GKAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1c(F)cccc1F ZINC000032960809 570531370 /nfs/dbraw/zinc/53/13/70/570531370.db2.gz PKGSCDLAWXPDCS-OAHLLOKOSA-N 0 0 382.435 5.070 50 0 GKAARN CCOc1ccccc1C(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000032960855 570531500 /nfs/dbraw/zinc/53/15/00/570531500.db2.gz TYLCSDACXNVUQW-UHFFFAOYSA-N 0 0 399.494 5.010 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000032960853 570531529 /nfs/dbraw/zinc/53/15/29/570531529.db2.gz KVGHKJUNTDSEQI-UHFFFAOYSA-N 0 0 399.494 5.010 50 0 GKAARN Cn1c(CCc2ccc(NC(=O)CCC3CCCC3)cc2)nc2ccccc21 ZINC000032960808 570531535 /nfs/dbraw/zinc/53/15/35/570531535.db2.gz 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CCCn1c(CCc2ccc(NC(=O)C3CCCCC3)cc2)nc2ccccc21 ZINC000032961013 570532493 /nfs/dbraw/zinc/53/24/93/570532493.db2.gz KFHHFXMHOUJIDP-UHFFFAOYSA-N 0 0 389.543 5.750 50 0 GKAARN O=C(/C=C/c1ccccc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000005265207 570533073 /nfs/dbraw/zinc/53/30/73/570533073.db2.gz WMTPMAVPWGLHIW-FMIVXFBMSA-N 0 0 389.455 5.077 50 0 GKAARN Cc1ccc(Sc2c(-c3ccc(Br)cc3)nc3ccccn32)cc1 ZINC000003065414 570533510 /nfs/dbraw/zinc/53/35/10/570533510.db2.gz LOUOUBCZAOCYPJ-UHFFFAOYSA-N 0 0 395.325 6.223 50 0 GKAARN COc1ccc(Cl)cc1Nc1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000000643750 570533710 /nfs/dbraw/zinc/53/37/10/570533710.db2.gz KEKGHJJQDUYKKF-UHFFFAOYSA-N 0 0 376.865 5.233 50 0 GKAARN Cc1ccc2cccc(NC(=O)c3cccc4c(Br)cccc34)c2n1 ZINC000008591117 570535501 /nfs/dbraw/zinc/53/55/01/570535501.db2.gz RJPXCDQYAOKCGR-UHFFFAOYSA-N 0 0 391.268 5.711 50 0 GKAARN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccs1 ZINC000008590924 570535513 /nfs/dbraw/zinc/53/55/13/570535513.db2.gz IDSOXAQJFPSJOP-UHFFFAOYSA-N 0 0 376.481 6.240 50 0 GKAARN O=C(/C=C/c1cscn1)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000072310821 570536876 /nfs/dbraw/zinc/53/68/76/570536876.db2.gz PXKSKQOYVZRFQC-URWSZGRFSA-N 0 0 381.297 5.022 50 0 GKAARN CC[C@H](C(=O)Nc1nnc(SCc2ccc(C)cc2)s1)c1ccccc1 ZINC000014696202 570537812 /nfs/dbraw/zinc/53/78/12/570537812.db2.gz QZELLDPKWLNZBS-KRWDZBQOSA-N 0 0 383.542 5.271 50 0 GKAARN CCOc1cc(CN2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1O ZINC000022078003 570537883 /nfs/dbraw/zinc/53/78/83/570537883.db2.gz VTWKSSRJXDRURB-QFIPXVFZSA-N 0 0 390.527 5.337 50 0 GKAARN O=C1c2n[nH]c(-c3cccs3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715791 570538081 /nfs/dbraw/zinc/53/80/81/570538081.db2.gz JPGMDZUABCERNV-FQEVSTJZSA-N 0 0 375.428 5.027 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)Nc3ccccc3C)s2)c1 ZINC000008742821 570539073 /nfs/dbraw/zinc/53/90/73/570539073.db2.gz YWQNODYZSDHPMJ-UHFFFAOYSA-N 0 0 396.516 5.501 50 0 GKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc1O ZINC000008743902 570539434 /nfs/dbraw/zinc/53/94/34/570539434.db2.gz QOCNIPVJLKXWLW-UHFFFAOYSA-N 0 0 376.843 5.778 50 0 GKAARN O=C(COc1ccc(CNc2ccccc2)cc1Cl)Nc1ccccc1F ZINC000004839603 570540626 /nfs/dbraw/zinc/54/06/26/570540626.db2.gz NMUONWCDRSZSBT-UHFFFAOYSA-N 0 0 384.838 5.109 50 0 GKAARN CC[C@H](C)N(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)C1CC1 ZINC000036105007 570541512 /nfs/dbraw/zinc/54/15/12/570541512.db2.gz VWLFSHJXNFIBLX-INIZCTEOSA-N 0 0 386.561 5.383 50 0 GKAARN CCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)CC(C)C ZINC000036105618 570541876 /nfs/dbraw/zinc/54/18/76/570541876.db2.gz DXAWECOXFBCFQH-UHFFFAOYSA-N 0 0 380.941 5.160 50 0 GKAARN Cc1ccc2[nH]c(S[C@H](C(=O)NC3CCCCC3)c3ccccc3)nc2c1 ZINC000008813333 570541944 /nfs/dbraw/zinc/54/19/44/570541944.db2.gz OJEKAPRBAZNOQF-FQEVSTJZSA-N 0 0 379.529 5.154 50 0 GKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccco1 ZINC000036106941 570542277 /nfs/dbraw/zinc/54/22/77/570542277.db2.gz FSLBDZUSTOKRGI-KRWDZBQOSA-N 0 0 398.528 5.373 50 0 GKAARN CC[C@H](C)N(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)CC(C)C ZINC000036106951 570542375 /nfs/dbraw/zinc/54/23/75/570542375.db2.gz XNGPSHANCWZXNT-SFHVURJKSA-N 0 0 388.577 5.512 50 0 GKAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccs1 ZINC000036106570 570542481 /nfs/dbraw/zinc/54/24/81/570542481.db2.gz RJHLPBQPVOJVAY-UHFFFAOYSA-N 0 0 386.542 5.144 50 0 GKAARN COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(C)C ZINC000034650551 570542456 /nfs/dbraw/zinc/54/24/56/570542456.db2.gz RLSMDNCLZLSURV-UHFFFAOYSA-N 0 0 390.104 6.680 50 0 GKAARN Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1C ZINC000064775796 570542699 /nfs/dbraw/zinc/54/26/99/570542699.db2.gz ACGMDEKVRHMRRZ-UHFFFAOYSA-N 0 0 399.538 5.268 50 0 biogenic GKAARN O=C(c1cccnc1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000096401948 570543240 /nfs/dbraw/zinc/54/32/40/570543240.db2.gz YMEYWILVRBWGRM-VJASYQBOSA-N 0 0 393.490 5.518 50 0 GKAARN O=C(Cc1coc2cc3c(cc12)CCC3)NC(c1ccccc1)c1ccccc1 ZINC000032962510 570543434 /nfs/dbraw/zinc/54/34/34/570543434.db2.gz DIYCFCMJIOJUTK-UHFFFAOYSA-N 0 0 381.475 5.370 50 0 GKAARN CC[C@H](C)N(Cc1csc(COc2cccc(C)c2C)n1)C(=O)NC(C)C ZINC000036115197 570543630 /nfs/dbraw/zinc/54/36/30/570543630.db2.gz GGZKRICMMXEYRC-INIZCTEOSA-N 0 0 389.565 5.057 50 0 GKAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1C ZINC000036114557 570543654 /nfs/dbraw/zinc/54/36/54/570543654.db2.gz GRNYEVQUUNIUMB-GOSISDBHSA-N 0 0 394.540 5.471 50 0 GKAARN CC1(C)Cc2nc3sc4c(ncnc4SC4CCCCC4)c3cc2CO1 ZINC000002395979 570543743 /nfs/dbraw/zinc/54/37/43/570543743.db2.gz UTTMIEQHYLAUMR-UHFFFAOYSA-N 0 0 385.558 5.516 50 0 GKAARN CC[C@H](C(=O)Nc1c(C)[nH]nc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000034795456 570543945 /nfs/dbraw/zinc/54/39/45/570543945.db2.gz KWIVTFUUBSZWNP-KRWDZBQOSA-N 0 0 387.405 5.536 50 0 GKAARN Cc1ccccc1OCc1nc(CN(C(=O)c2ccc(F)cc2)C(C)C)cs1 ZINC000036114801 570544108 /nfs/dbraw/zinc/54/41/08/570544108.db2.gz HMOLZIXVIGGYTJ-UHFFFAOYSA-N 0 0 398.503 5.220 50 0 GKAARN Cc1ccccc1OCc1nc(CN(C(=O)c2ccccc2)C(C)C)cs1 ZINC000036114809 570544109 /nfs/dbraw/zinc/54/41/09/570544109.db2.gz DLIFSOGJNLEOJU-UHFFFAOYSA-N 0 0 380.513 5.081 50 0 GKAARN Cc1cccc(C(=O)N(Cc2csc(COc3ccccc3C)n2)C(C)C)c1 ZINC000036114821 570544129 /nfs/dbraw/zinc/54/41/29/570544129.db2.gz MGOQTCAFTAHRAQ-UHFFFAOYSA-N 0 0 394.540 5.390 50 0 GKAARN CCCN(CCC)C(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831653 570544255 /nfs/dbraw/zinc/54/42/55/570544255.db2.gz HGBFGUNXGNLTOC-UHFFFAOYSA-N 0 0 398.510 5.326 50 0 GKAARN Cc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1cccc(Cl)c1 ZINC000034796225 570544269 /nfs/dbraw/zinc/54/42/69/570544269.db2.gz BHAAEUHAXKGLGZ-UHFFFAOYSA-N 0 0 379.769 5.310 50 0 GKAARN COc1cccc(NC(=O)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 ZINC000096604077 570544344 /nfs/dbraw/zinc/54/43/44/570544344.db2.gz ZSVZCQXZILTKMA-UHFFFAOYSA-N 0 0 397.858 5.189 50 0 GKAARN CCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000006704649 570544461 /nfs/dbraw/zinc/54/44/61/570544461.db2.gz 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ZINC000006706383 570545616 /nfs/dbraw/zinc/54/56/16/570545616.db2.gz XVEXMZJHNWEDOA-OAQYLSRUSA-N 0 0 386.492 5.123 50 0 GKAARN CCC(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(C)C ZINC000036124517 570545657 /nfs/dbraw/zinc/54/56/57/570545657.db2.gz IOXAAUUZUFATHN-UHFFFAOYSA-N 0 0 387.332 5.176 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1ccc(C)c(C)c1 ZINC000001001914 570546256 /nfs/dbraw/zinc/54/62/56/570546256.db2.gz PWLVIKDZGBGJRI-UHFFFAOYSA-N 0 0 394.496 5.164 50 0 GKAARN Cc1cc(SCc2cccc3ccccc32)n2ncc(-c3ccccc3)c2n1 ZINC000005270295 570546377 /nfs/dbraw/zinc/54/63/77/570546377.db2.gz UEXBACZLAAHEKT-UHFFFAOYSA-N 0 0 381.504 6.150 50 0 GKAARN O=C(Nc1nnc(/C=C/c2ccccc2)s1)Nc1ccc(Cl)cc1Cl ZINC000009007630 570546332 /nfs/dbraw/zinc/54/63/32/570546332.db2.gz FAGDGZIWXANXLA-RMKNXTFCSA-N 0 0 391.283 5.659 50 0 GKAARN Fc1cc(CN2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000034892488 570546672 /nfs/dbraw/zinc/54/66/72/570546672.db2.gz DDWCKFWWUMGCPG-PXNSSMCTSA-N 0 0 395.396 5.208 50 0 GKAARN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908168 570547158 /nfs/dbraw/zinc/54/71/58/570547158.db2.gz ZXXCNSMKGSIKQM-LJQANCHMSA-N 0 0 380.463 5.734 50 0 GKAARN CCCCNC(=O)C[C@H](c1cn(CC)c2ccccc12)c1ccc(Cl)cc1 ZINC000006713404 570547303 /nfs/dbraw/zinc/54/73/03/570547303.db2.gz NVOJCVAHEYHEFI-FQEVSTJZSA-N 0 0 382.935 5.753 50 0 GKAARN CCn1cc([C@H](CC(=O)NCc2ccco2)c2cccc(C)c2)c2ccccc21 ZINC000006713757 570547625 /nfs/dbraw/zinc/54/76/25/570547625.db2.gz UWBBXNJXLCVNQM-JOCHJYFZSA-N 0 0 386.495 5.401 50 0 GKAARN C[C@H]1CCCn2c([C@H](CC(=O)Nc3ccc(F)cc3)c3ccccc3F)cnc21 ZINC000034920117 570547683 /nfs/dbraw/zinc/54/76/83/570547683.db2.gz LALXUPSGTOTFEF-HNAYVOBHSA-N 0 0 395.453 5.219 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=S)NCc2ccccc2)C1(C)C ZINC000005274541 570547944 /nfs/dbraw/zinc/54/79/44/570547944.db2.gz KPFBHMRKUDQQAQ-UGKGYDQZSA-N 0 0 391.584 5.270 50 0 GKAARN O=C(c1oc2ccccc2c1C[S@@](=O)c1ccccc1Cl)c1ccccc1 ZINC000005278744 570548290 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COc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCC(C)CC2)cc1 ZINC000005296650 570549483 /nfs/dbraw/zinc/54/94/83/570549483.db2.gz WALHNIMKRIJAQA-DXJIIWSXSA-N 0 0 376.500 5.454 50 0 GKAARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000005285888 570549746 /nfs/dbraw/zinc/54/97/46/570549746.db2.gz USCWATINDICVCO-UHFFFAOYSA-N 0 0 384.504 6.027 50 0 GKAARN O=C(c1cc2c(s1)CCCCCC2)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032967038 570549814 /nfs/dbraw/zinc/54/98/14/570549814.db2.gz HIQVIMGBAOXFSY-UHFFFAOYSA-N 0 0 394.540 5.568 50 0 GKAARN CC(C)Oc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl ZINC000005284785 570549932 /nfs/dbraw/zinc/54/99/32/570549932.db2.gz RJPLDDGNAMMKDL-UHFFFAOYSA-N 0 0 393.097 6.340 50 0 GKAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C)sc3n2)cc1 ZINC000005302301 570550148 /nfs/dbraw/zinc/55/01/48/570550148.db2.gz WHRVXUHMQZCGCD-UHFFFAOYSA-N 0 0 389.480 5.115 50 0 GKAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000032969020 570550833 /nfs/dbraw/zinc/55/08/33/570550833.db2.gz 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/nfs/dbraw/zinc/55/26/33/570552633.db2.gz YAGGUBMJYYSIOK-UHFFFAOYSA-N 0 0 383.879 5.263 50 0 GKAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccsc2)cc1 ZINC000061997219 570553999 /nfs/dbraw/zinc/55/39/99/570553999.db2.gz XFIAFIBRRGIMOT-UHFFFAOYSA-N 0 0 392.436 5.008 50 0 GKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)cc1 ZINC000035561700 570554451 /nfs/dbraw/zinc/55/44/51/570554451.db2.gz DSWOIVZZLIDOBQ-QFIPXVFZSA-N 0 0 394.515 5.250 50 0 GKAARN COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000035561753 570554455 /nfs/dbraw/zinc/55/44/55/570554455.db2.gz RZOQWSBYUMNACM-LJQANCHMSA-N 0 0 388.895 5.506 50 0 GKAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)s1 ZINC000035561588 570554466 /nfs/dbraw/zinc/55/44/66/570554466.db2.gz OUNWNFXYROHIDM-HXUWFJFHSA-N 0 0 391.602 5.561 50 0 GKAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC[C@H]1c1ccccc1Cl ZINC000035561769 570554490 /nfs/dbraw/zinc/55/44/90/570554490.db2.gz ISTHXDQAUNARAS-SFHVURJKSA-N 0 0 386.879 5.260 50 0 GKAARN CCOC(=O)Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)cc1 ZINC000035561699 570554560 /nfs/dbraw/zinc/55/45/60/570554560.db2.gz DSWOIVZZLIDOBQ-JOCHJYFZSA-N 0 0 394.515 5.250 50 0 GKAARN Cc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000009301234 570554543 /nfs/dbraw/zinc/55/45/43/570554543.db2.gz YDTTUXLKBBQRHA-UHFFFAOYSA-N 0 0 379.272 5.464 50 0 GKAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CCC(=O)c2ccc3ccccc3c2)o1 ZINC000032970241 570554700 /nfs/dbraw/zinc/55/47/00/570554700.db2.gz QPCVAHQKUCCVTQ-HRAATJIYSA-N 0 0 375.468 5.178 50 0 GKAARN CC1=CC[C@@H](C(=O)NCc2ccccc2)[C@H](c2ccc(Br)cc2)C1 ZINC000006728280 570554906 /nfs/dbraw/zinc/55/49/06/570554906.db2.gz HVDCPEISTNTUFH-UXHICEINSA-N 0 0 384.317 5.205 50 0 GKAARN C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000032970958 570555307 /nfs/dbraw/zinc/55/53/07/570555307.db2.gz QQVSLBTYUXKUJR-GOSISDBHSA-N 0 0 383.451 5.156 50 0 GKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccccc1C ZINC000064820125 570555441 /nfs/dbraw/zinc/55/54/41/570555441.db2.gz 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570600726 /nfs/dbraw/zinc/60/07/26/570600726.db2.gz MZUZWCQPAWOJGM-UHFFFAOYSA-N 0 0 385.941 6.222 50 0 GKAARN Fc1ccc(Nc2nc(-c3ccc(F)cc3)c3c(n2)-c2ccccc2OC3)cc1 ZINC000006800247 570601246 /nfs/dbraw/zinc/60/12/46/570601246.db2.gz HULFGNDEMYMEME-UHFFFAOYSA-N 0 0 387.389 5.725 50 0 aggregator GKAARN Clc1ccc(CSc2nc3cc(Br)cnc3[nH]2)c(Cl)c1 ZINC000005455674 570601266 /nfs/dbraw/zinc/60/12/66/570601266.db2.gz VKRPNYPUQIDKSV-UHFFFAOYSA-N 0 0 389.105 5.320 50 0 GKAARN COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000005458289 570601764 /nfs/dbraw/zinc/60/17/64/570601764.db2.gz VMFJGHWHHQTYJC-TZIWHRDSSA-N 0 0 389.886 5.845 50 0 GKAARN CN(Cc1ccccn1)C(=O)Nc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000225679584 570602128 /nfs/dbraw/zinc/60/21/28/570602128.db2.gz UJCHHXUZVZWTMF-UHFFFAOYSA-N 0 0 384.439 5.086 50 0 GKAARN Cc1cccc(-n2cc(CN(C)[C@H](C)c3ccon3)c(-c3cccc(F)c3)n2)c1 ZINC000012057208 570603067 /nfs/dbraw/zinc/60/30/67/570603067.db2.gz WYWWSFHVSWCUOF-QGZVFWFLSA-N 0 0 390.462 5.168 50 0 GKAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000003320444 570603202 /nfs/dbraw/zinc/60/32/02/570603202.db2.gz ZLEIMUOTEYRAPN-KRWDZBQOSA-N 0 0 389.451 5.225 50 0 GKAARN Cc1cc(C)c(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1C ZINC000003319863 570603242 /nfs/dbraw/zinc/60/32/42/570603242.db2.gz MFROTFDVNYQQEH-UHFFFAOYSA-N 0 0 393.552 5.311 50 0 GKAARN O=C(c1cn(Cc2ccccc2Cl)c2ccccc12)C(Cl)(Cl)Cl ZINC000040545806 570603330 /nfs/dbraw/zinc/60/33/30/570603330.db2.gz FBVFVOCXVWKSDM-UHFFFAOYSA-N 0 0 387.093 5.896 50 0 GKAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)/C=C/c3ccco3)cc2)cc1 ZINC000003320021 570603308 /nfs/dbraw/zinc/60/33/08/570603308.db2.gz LCFJHUZBEFCAQG-FOCLMDBBSA-N 0 0 375.468 6.411 50 0 GKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003321904 570603410 /nfs/dbraw/zinc/60/34/10/570603410.db2.gz HCCIGAIQBUFVTP-UHFFFAOYSA-N 0 0 381.859 5.928 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2c(F)cccc2F)c2ccccc2)c1 ZINC000003300073 570603771 /nfs/dbraw/zinc/60/37/71/570603771.db2.gz 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Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000041091570 570614843 /nfs/dbraw/zinc/61/48/43/570614843.db2.gz DPXCPQNEJFDWSM-JXMROGBWSA-N 0 0 389.842 5.504 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000006810593 570615070 /nfs/dbraw/zinc/61/50/70/570615070.db2.gz ZMDYNSZFRQGJSS-UHFFFAOYSA-N 0 0 379.843 5.830 50 0 GKAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1ccco1)Cc1ccc(C)cc1 ZINC000006810712 570615291 /nfs/dbraw/zinc/61/52/91/570615291.db2.gz NYSNXNQLSUVHKN-UHFFFAOYSA-N 0 0 393.870 6.139 50 0 GKAARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2C)cc1 ZINC000006810690 570615310 /nfs/dbraw/zinc/61/53/10/570615310.db2.gz TZTJDTKGMAJGLY-UHFFFAOYSA-N 0 0 383.875 5.158 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000169685684 570615324 /nfs/dbraw/zinc/61/53/24/570615324.db2.gz NBDHWBQVSKIXPJ-AVRDEDQJSA-N 0 0 394.858 5.574 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccco1)Cc1ccccc1Cl ZINC000006810701 570615414 /nfs/dbraw/zinc/61/54/14/570615414.db2.gz 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ZINC000006817116 570618538 /nfs/dbraw/zinc/61/85/38/570618538.db2.gz VSWPYRXFUDSIIQ-UHFFFAOYSA-N 0 0 397.474 5.453 50 0 GKAARN c1csc(CCNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)c1 ZINC000064969942 570620301 /nfs/dbraw/zinc/62/03/01/570620301.db2.gz QVKCEKMIIPSZDQ-UHFFFAOYSA-N 0 0 399.479 5.063 50 0 GKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(C)cc3C)cc2C)s1 ZINC000033008305 570621409 /nfs/dbraw/zinc/62/14/09/570621409.db2.gz YGONOEDMUKAYBW-UHFFFAOYSA-N 0 0 382.489 5.214 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000004592247 570621731 /nfs/dbraw/zinc/62/17/31/570621731.db2.gz AZCQKLXAIZTEBW-LJQANCHMSA-N 0 0 381.397 5.650 50 0 GKAARN O=C1c2cccc(F)c2C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004591075 570621846 /nfs/dbraw/zinc/62/18/46/570621846.db2.gz ITYSGDLUUTZOQO-UHFFFAOYSA-N 0 0 375.443 5.094 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)cc1 ZINC000033010568 570622089 /nfs/dbraw/zinc/62/20/89/570622089.db2.gz GJBHLSWNODSURL-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN CCCN(CCC)C(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1 ZINC000033010659 570622141 /nfs/dbraw/zinc/62/21/41/570622141.db2.gz VACWKSBYYZMNLK-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192218 570622250 /nfs/dbraw/zinc/62/22/50/570622250.db2.gz VRWOGABCCOGONY-AOYPEHQESA-N 0 0 398.506 6.108 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012192201 570622309 /nfs/dbraw/zinc/62/23/09/570622309.db2.gz ORBLBEZCQIBCIS-NOZRDPDXSA-N 0 0 382.507 6.226 50 0 GKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NC4CCCCC4)c3)ncn2)c1 ZINC000033010449 570622338 /nfs/dbraw/zinc/62/23/38/570622338.db2.gz BTODSYDPMHYMOH-UHFFFAOYSA-N 0 0 386.499 5.258 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1C ZINC000033010921 570622830 /nfs/dbraw/zinc/62/28/30/570622830.db2.gz YQAFYHUDZBLHBB-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN O=C(NCCC1=CCCCC1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033010911 570622839 /nfs/dbraw/zinc/62/28/39/570622839.db2.gz HYUGABPSXFUJMG-UHFFFAOYSA-N 0 0 398.510 5.508 50 0 GKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3)ncn2)cc1 ZINC000033010797 570622929 /nfs/dbraw/zinc/62/29/29/570622929.db2.gz VYSZFNVBPLZKAZ-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN CC(C)c1csc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)n1 ZINC000012195574 570623065 /nfs/dbraw/zinc/62/30/65/570623065.db2.gz IILNVTLCZBSFEO-INIZCTEOSA-N 0 0 389.540 5.037 50 0 GKAARN COc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccco3)C[C@@H]21 ZINC000012196481 570623256 /nfs/dbraw/zinc/62/32/56/570623256.db2.gz ZCWCNOAZMQYJTD-LAUBAEHRSA-N 0 0 380.831 5.184 50 0 GKAARN Cc1cc2sc(N3CCC(C(=O)Nc4ccccc4Cl)CC3)nc2c(C)c1 ZINC000006821127 570623308 /nfs/dbraw/zinc/62/33/08/570623308.db2.gz BDNFSIXJPCKRIZ-UHFFFAOYSA-N 0 0 399.947 5.422 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000033011728 570623547 /nfs/dbraw/zinc/62/35/47/570623547.db2.gz QRAXBBCXHAFWEY-UHFFFAOYSA-N 0 0 386.904 5.174 50 0 GKAARN COc1cccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn32)c1 ZINC000005516272 570623805 /nfs/dbraw/zinc/62/38/05/570623805.db2.gz HSTKJVIJOGEIRK-UHFFFAOYSA-N 0 0 386.499 5.754 50 0 GKAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc(C)c(Cl)c2)n1 ZINC000006822672 570623903 /nfs/dbraw/zinc/62/39/03/570623903.db2.gz FCDYPEAJAHLBFA-UHFFFAOYSA-N 0 0 398.297 5.791 50 0 GKAARN CCCCC(=O)N(CCC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000006825276 570624459 /nfs/dbraw/zinc/62/44/59/570624459.db2.gz QLGZLQHSZSBVCE-UHFFFAOYSA-N 0 0 381.339 5.506 50 0 GKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1oc2ccccc2c1C ZINC000006825379 570624588 /nfs/dbraw/zinc/62/45/88/570624588.db2.gz XDMCWTNBHQRIFR-UHFFFAOYSA-N 0 0 391.448 5.509 50 0 GKAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000005529133 570624784 /nfs/dbraw/zinc/62/47/84/570624784.db2.gz PDNMINOSFUDWKS-AWEZNQCLSA-N 0 0 395.912 5.087 50 0 GKAARN CCCOc1ccc(C(=O)N(CCC)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000006826554 570624827 /nfs/dbraw/zinc/62/48/27/570624827.db2.gz 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Cc1cccc(N(C)C(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)c1 ZINC000006868666 570656489 /nfs/dbraw/zinc/65/64/89/570656489.db2.gz PQQKWEQBJVFQRS-UHFFFAOYSA-N 0 0 377.463 5.001 50 0 GKAARN Cc1nn2c(nc(C)cc2N[C@H](C)c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000005573869 570656813 /nfs/dbraw/zinc/65/68/13/570656813.db2.gz QIQYKDVGXCKUIZ-OAHLLOKOSA-N 0 0 376.891 5.840 50 0 GKAARN Cc1ccc(-c2noc(CCN(C(=O)c3cccs3)C3CCCCC3)n2)cc1 ZINC000006869364 570656878 /nfs/dbraw/zinc/65/68/78/570656878.db2.gz SFWBBRAFKLUIRZ-UHFFFAOYSA-N 0 0 395.528 5.124 50 0 GKAARN CC1CCN(C(=O)Cn2cc(SCc3ccccc3F)c3ccccc32)CC1 ZINC000006867510 570657120 /nfs/dbraw/zinc/65/71/20/570657120.db2.gz FCMLASDCJXFUJN-UHFFFAOYSA-N 0 0 396.531 5.331 50 0 GKAARN Cc1ccc(CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 ZINC000006867463 570657125 /nfs/dbraw/zinc/65/71/25/570657125.db2.gz MIDFNVONVRZKFY-UHFFFAOYSA-N 0 0 392.568 5.645 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033025170 570657466 /nfs/dbraw/zinc/65/74/66/570657466.db2.gz IVMGCIFKJWYQPO-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1Cl ZINC000012419553 570657547 /nfs/dbraw/zinc/65/75/47/570657547.db2.gz FXIZLQUMKIUDLF-HNNXBMFYSA-N 0 0 399.899 5.463 50 0 GKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NC4CCCCC4)c3)n2)cc1 ZINC000033025225 570658261 /nfs/dbraw/zinc/65/82/61/570658261.db2.gz JYQOODYAQZPQOL-UHFFFAOYSA-N 0 0 386.499 5.258 50 0 GKAARN Cc1ccccc1NC(=O)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025320 570658278 /nfs/dbraw/zinc/65/82/78/570658278.db2.gz UZEWYXWGEHATLS-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)Nc4cccc(F)c4)c3)n2)cc1 ZINC000033025247 570658357 /nfs/dbraw/zinc/65/83/57/570658357.db2.gz LHCVBYXWXBUJJZ-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN CCOc1ccc2nc(NC(=O)c3snc4ccc(Cl)cc43)sc2c1 ZINC000005578581 570658910 /nfs/dbraw/zinc/65/89/10/570658910.db2.gz BGYCQPFZVGEDQY-UHFFFAOYSA-N 0 0 389.889 5.210 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)c1 ZINC000033025391 570659710 /nfs/dbraw/zinc/65/97/10/570659710.db2.gz OGAXWFJXBQKLFO-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000048524596 570659745 /nfs/dbraw/zinc/65/97/45/570659745.db2.gz HRKLSAPQMTUJJO-JTHBVZDNSA-N 0 0 376.887 6.163 50 0 GKAARN CNP(=O)(OC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 ZINC000005256969 570660179 /nfs/dbraw/zinc/66/01/79/570660179.db2.gz SWDDQUKQHWWTOB-UHFFFAOYSA-N 0 0 379.481 5.285 50 0 GKAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033025847 570660501 /nfs/dbraw/zinc/66/05/01/570660501.db2.gz FHEVKEYYROQXRL-UHFFFAOYSA-N 0 0 398.434 5.222 50 0 GKAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1 ZINC000033025856 570660590 /nfs/dbraw/zinc/66/05/90/570660590.db2.gz AGUCOJKPJBHYKE-UHFFFAOYSA-N 0 0 394.471 5.392 50 0 GKAARN Cc1ccccc1S(=O)(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033025773 570660597 /nfs/dbraw/zinc/66/05/97/570660597.db2.gz CIOYVNIUSWHQMV-UHFFFAOYSA-N 0 0 396.899 5.598 50 0 GKAARN CCc1ccccc1S(=O)(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033025854 570660624 /nfs/dbraw/zinc/66/06/24/570660624.db2.gz NCSXSTJFGYUHNJ-UHFFFAOYSA-N 0 0 394.471 5.337 50 0 GKAARN CC(=O)c1sc(NC(=O)Cc2cccc3ccccc32)nc1-c1ccccc1 ZINC000005383485 570660686 /nfs/dbraw/zinc/66/06/86/570660686.db2.gz CYHKCHROBFHDEZ-UHFFFAOYSA-N 0 0 386.476 5.347 50 0 GKAARN Cc1ccc(F)cc1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000005278924 570661592 /nfs/dbraw/zinc/66/15/92/570661592.db2.gz JJEDVEXNEDKKCH-UHFFFAOYSA-N 0 0 377.506 5.020 50 0 GKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc(F)cc1 ZINC000004607741 570661968 /nfs/dbraw/zinc/66/19/68/570661968.db2.gz ZPFSEVWTUBASTC-QRXVHFADSA-N 0 0 386.470 5.818 50 0 GKAARN CCN1c2ccccc2N[C@@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@@H]21 ZINC000005585579 570662047 /nfs/dbraw/zinc/66/20/47/570662047.db2.gz RSIONSCWANFRLG-KKXVOBOWSA-N 0 0 398.547 5.085 50 0 GKAARN O=C1c2ccccc2[C@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccccc1 ZINC000004608283 570662350 /nfs/dbraw/zinc/66/23/50/570662350.db2.gz HTAFVKHTYCBPNN-HXUWFJFHSA-N 0 0 382.385 5.472 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(CSc2ccc3c(c2)OCCCO3)cc1 ZINC000005365669 570662437 /nfs/dbraw/zinc/66/24/37/570662437.db2.gz DMIVBGBGKFFEML-UHFFFAOYSA-N 0 0 391.492 5.393 50 0 GKAARN O=C1C2=C(CCCC2)[C@@H](N(c2ccccc2)c2ccccc2)N1Cc1ccccc1 ZINC000004608465 570662438 /nfs/dbraw/zinc/66/24/38/570662438.db2.gz ZNSSIPPPTAFSAY-AREMUKBSSA-N 0 0 394.518 6.064 50 0 GKAARN C[C@H](Cc1nc(-c2cc(Cl)sc2Cl)cs1)n1cc(Cl)cn1 ZINC000060332760 570662858 /nfs/dbraw/zinc/66/28/58/570662858.db2.gz AFKJLAYUKAZCEA-SSDOTTSWSA-N 0 0 378.737 5.832 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000005445366 570662927 /nfs/dbraw/zinc/66/29/27/570662927.db2.gz DAKRTXMLPQHXBE-NYYWCZLTSA-N 0 0 387.523 5.815 50 0 GKAARN C[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005972836 570665973 /nfs/dbraw/zinc/66/59/73/570665973.db2.gz FLUSIEKVDDLZCI-MMVUMSBSSA-N 0 0 377.450 5.440 50 0 GKAARN CC(C)N(Cc1nnc(-c2cccc(Br)c2)o1)c1ccc(F)cc1 ZINC000060339033 570666063 /nfs/dbraw/zinc/66/60/63/570666063.db2.gz AAUBCYPWRCIPDK-UHFFFAOYSA-N 0 0 390.256 5.053 50 0 GKAARN O=C(NC1CCCCC1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065057998 570666529 /nfs/dbraw/zinc/66/65/29/570666529.db2.gz SBAOYCWJULJWIV-UHFFFAOYSA-N 0 0 391.446 5.138 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1 ZINC000065058023 570666561 /nfs/dbraw/zinc/66/65/61/570666561.db2.gz IWYWGARWQMQIRJ-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)c1 ZINC000065058083 570666564 /nfs/dbraw/zinc/66/65/64/570666564.db2.gz NEURFGBJBPKUOR-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN O=C(Nc1ccccc1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058012 570666567 /nfs/dbraw/zinc/66/65/67/570666567.db2.gz MWJJQZCEIREHSH-UHFFFAOYSA-N 0 0 385.398 5.327 50 0 GKAARN O=C(NCc1ccc(F)cc1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058112 570666588 /nfs/dbraw/zinc/66/65/88/570666588.db2.gz KPNWGBGNMBXATF-UHFFFAOYSA-N 0 0 399.425 5.005 50 0 GKAARN CCc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)cc1 ZINC000065058069 570666634 /nfs/dbraw/zinc/66/66/34/570666634.db2.gz QFCCZOZNLXELDR-UHFFFAOYSA-N 0 0 395.462 5.751 50 0 GKAARN CC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)c2ccccc2S1 ZINC000006877025 570667104 /nfs/dbraw/zinc/66/71/04/570667104.db2.gz GWJMAKZJXKZKNK-GFCCVEGCSA-N 0 0 395.297 5.511 50 0 GKAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004611449 570667626 /nfs/dbraw/zinc/66/76/26/570667626.db2.gz RGZCWBZYJBWWQT-AUWJEWJLSA-N 0 0 397.055 5.100 50 0 GKAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000005603953 570668097 /nfs/dbraw/zinc/66/80/97/570668097.db2.gz LBOZGEVDYWIBAA-UHFFFAOYSA-N 0 0 385.507 5.214 50 0 GKAARN Nn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000005604430 570668473 /nfs/dbraw/zinc/66/84/73/570668473.db2.gz AGKWBAMKLYXFTF-UHFFFAOYSA-N 0 0 386.498 6.870 50 0 GKAARN CCCCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000051326014 570668653 /nfs/dbraw/zinc/66/86/53/570668653.db2.gz RDXSNZCRELIMSU-UHFFFAOYSA-N 0 0 380.492 5.019 50 0 GKAARN Cc1sc(NC(=O)/C=C/c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000006254845 570668987 /nfs/dbraw/zinc/66/89/87/570668987.db2.gz ZQDHKBFREKOFJP-FMIVXFBMSA-N 0 0 399.313 5.533 50 0 GKAARN C[C@@H](c1ccccc1)N1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 ZINC000013692640 570669139 /nfs/dbraw/zinc/66/91/39/570669139.db2.gz HUTNMWJTGGMACV-KRWDZBQOSA-N 0 0 383.447 5.373 50 0 biogenic GKAARN Cc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)c3ccccc3n2)cc1C ZINC000005618154 570669330 /nfs/dbraw/zinc/66/93/30/570669330.db2.gz FVIZQRSHPVELSJ-UHFFFAOYSA-N 0 0 392.502 6.112 50 0 GKAARN Cc1cc(CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)on1 ZINC000012458138 570669516 /nfs/dbraw/zinc/66/95/16/570669516.db2.gz NBIKRRZIGRGXJM-UHFFFAOYSA-N 0 0 386.499 5.085 50 0 GKAARN Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nc4ccccc4s3)c(C)o2)o1 ZINC000012457542 570669792 /nfs/dbraw/zinc/66/97/92/570669792.db2.gz OIGXFVNUKQBADS-QGZVFWFLSA-N 0 0 379.485 5.498 50 0 GKAARN Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1C ZINC000012462274 570670697 /nfs/dbraw/zinc/67/06/97/570670697.db2.gz FOMOSYIXMPHRIE-QPLCGJKRSA-N 0 0 384.548 6.309 50 0 GKAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCc2ccon2)cc1 ZINC000012462173 570670751 /nfs/dbraw/zinc/67/07/51/570670751.db2.gz GQDAUTZYLPYWJL-UHFFFAOYSA-N 0 0 381.888 5.781 50 0 GKAARN O=C(/C=C/c1ccc2ccccc2n1)OCc1csc(-c2ccc(F)cc2)n1 ZINC000006558933 570670790 /nfs/dbraw/zinc/67/07/90/570670790.db2.gz JJZSASXACJLCEB-VAWYXSNFSA-N 0 0 390.439 5.254 50 0 GKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc4c(c3)OCCO4)c2c1 ZINC000012418212 570670813 /nfs/dbraw/zinc/67/08/13/570670813.db2.gz CPPZEICECKZGFH-NCELDCMTSA-N 0 0 389.838 5.757 50 0 GKAARN Cc1ccccc1Cn1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000012463069 570671092 /nfs/dbraw/zinc/67/10/92/570671092.db2.gz GVUASEVRFNXISH-UHFFFAOYSA-N 0 0 378.475 6.125 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1ccc(Sc2ccccn2)c(Cl)c1 ZINC000012462955 570671221 /nfs/dbraw/zinc/67/12/21/570671221.db2.gz AGTOOSBTYCHZCT-UHFFFAOYSA-N 0 0 384.888 5.456 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)o1 ZINC000013751531 570671323 /nfs/dbraw/zinc/67/13/23/570671323.db2.gz OQPHJABODZIHKL-KNQAVFIVSA-N 0 0 378.859 5.792 50 0 GKAARN Clc1ccc(CSc2nnc(COc3cccc4ccccc43)o2)cc1 ZINC000000862985 570671334 /nfs/dbraw/zinc/67/13/34/570671334.db2.gz QOGXSASBAYQTGM-UHFFFAOYSA-N 0 0 382.872 5.748 50 0 GKAARN Cc1ccc(C(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccc(C)cc2)cc1 ZINC000005621779 570672400 /nfs/dbraw/zinc/67/24/00/570672400.db2.gz NTZGJYFTYRYGNK-HSZRJFAPSA-N 0 0 399.519 5.600 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033036596 570672431 /nfs/dbraw/zinc/67/24/31/570672431.db2.gz XRLLXUZYADVWQW-UHFFFAOYSA-N 0 0 376.843 5.749 50 0 GKAARN Cc1cc(C(=O)NCc2ccc(Cl)cc2)c2cccc(-c3ccccc3)c2n1 ZINC000033036643 570672480 /nfs/dbraw/zinc/67/24/80/570672480.db2.gz YDBWLODRFBHWIE-UHFFFAOYSA-N 0 0 386.882 5.794 50 0 GKAARN COc1ccc(OCC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033036563 570672530 /nfs/dbraw/zinc/67/25/30/570672530.db2.gz GMQCVKVDCISVOW-UHFFFAOYSA-N 0 0 390.414 5.000 50 0 GKAARN CCc1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000005624098 570672703 /nfs/dbraw/zinc/67/27/03/570672703.db2.gz DNAUKTDACLVBHC-UHFFFAOYSA-N 0 0 398.557 5.192 50 0 GKAARN Cc1ccc(-c2cccc3c(C(=O)NCc4ccccc4F)cc(C)nc23)cc1 ZINC000033036966 570673093 /nfs/dbraw/zinc/67/30/93/570673093.db2.gz GXUBYNSGYLWXBB-UHFFFAOYSA-N 0 0 384.454 5.588 50 0 GKAARN Cc1ccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)s1 ZINC000033037434 570673678 /nfs/dbraw/zinc/67/36/78/570673678.db2.gz SQPUBIBQFHUNHT-UHFFFAOYSA-N 0 0 378.482 5.482 50 0 GKAARN Cn1cc(C(=O)Nc2ccc(Oc3cccc4[nH]ccc43)nc2)c2ccccc21 ZINC000072326188 570673974 /nfs/dbraw/zinc/67/39/74/570673974.db2.gz KUMUQAANYUEESU-UHFFFAOYSA-N 0 0 382.423 5.099 50 0 biogenic GKAARN Cc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)cc1 ZINC000065063173 570674284 /nfs/dbraw/zinc/67/42/84/570674284.db2.gz UIRPHZRLIHRZGB-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN CCCCCCNC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000065063288 570674336 /nfs/dbraw/zinc/67/43/36/570674336.db2.gz LAYLCEMMFKHCPA-UHFFFAOYSA-N 0 0 393.462 5.385 50 0 GKAARN C[C@@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc21)c1ccccc1 ZINC000072328481 570674418 /nfs/dbraw/zinc/67/44/18/570674418.db2.gz JRGVRJHGXPAHAQ-MRXNPFEDSA-N 0 0 393.918 5.687 50 0 GKAARN COCc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 ZINC000006881254 570675615 /nfs/dbraw/zinc/67/56/15/570675615.db2.gz DBUHNMCNPYKAMN-UHFFFAOYSA-N 0 0 388.492 5.286 50 0 GKAARN CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C1c2ccccc2-c2ccccc21 ZINC000685944807 570675833 /nfs/dbraw/zinc/67/58/33/570675833.db2.gz ZKHGNGSTQWCYPY-LXLRPHJXSA-N 0 0 375.515 6.966 50 0 GKAARN O=C(CSc1nc2ccccc2s1)Nc1ccccc1-c1ccccc1 ZINC000005629119 570675973 /nfs/dbraw/zinc/67/59/73/570675973.db2.gz OCSOKYQSRACEHG-UHFFFAOYSA-N 0 0 376.506 5.694 50 0 GKAARN CC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000005632236 570676527 /nfs/dbraw/zinc/67/65/27/570676527.db2.gz ODJBHPRWATUXSZ-UHFFFAOYSA-N 0 0 390.386 5.284 50 0 GKAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1OCC ZINC000004341988 570676982 /nfs/dbraw/zinc/67/69/82/570676982.db2.gz UGGCRTLOHURTKG-UHFFFAOYSA-N 0 0 380.444 5.213 50 0 GKAARN Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441710 570677180 /nfs/dbraw/zinc/67/71/80/570677180.db2.gz SNUBXWLQQRZOKL-UHFFFAOYSA-N 0 0 394.887 5.210 50 0 GKAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C(CC)CC)n2)cc1 ZINC000012442146 570677467 /nfs/dbraw/zinc/67/74/67/570677467.db2.gz QLNVZUWJRUISAZ-UHFFFAOYSA-N 0 0 398.532 5.078 50 0 GKAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(C(C)C)c3)cc2)n1 ZINC000032578907 570677784 /nfs/dbraw/zinc/67/77/84/570677784.db2.gz WEDYQXHHFNNHCX-UHFFFAOYSA-N 0 0 379.460 5.001 50 0 GKAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000005638192 570678181 /nfs/dbraw/zinc/67/81/81/570678181.db2.gz DNKQYLUSSVLVTR-UHFFFAOYSA-N 0 0 398.890 6.111 50 0 GKAARN COc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1OC ZINC000033040019 570678568 /nfs/dbraw/zinc/67/85/68/570678568.db2.gz GBKCGUZDUDZGAY-UHFFFAOYSA-N 0 0 394.521 5.926 50 0 GKAARN CCOc1ccc(-c2csc(-c3nc(-c4ccc(C)c(C)c4)cs3)n2)cc1 ZINC000033040033 570679023 /nfs/dbraw/zinc/67/90/23/570679023.db2.gz CIYSJEPZBFWAJA-UHFFFAOYSA-N 0 0 392.549 6.616 50 0 GKAARN COc1ccc(C(C)=O)cc1CSCc1coc(-c2ccc(C)cc2C)n1 ZINC000036395774 570679623 /nfs/dbraw/zinc/67/96/23/570679623.db2.gz KBZXUHLRNSCPHK-UHFFFAOYSA-N 0 0 381.497 5.603 50 0 GKAARN CC(C)(C)c1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)cc1 ZINC000002759868 570679892 /nfs/dbraw/zinc/67/98/92/570679892.db2.gz MLLAPZGKTSDBSE-UHFFFAOYSA-N 0 0 389.524 5.032 50 0 GKAARN Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000032594197 570680004 /nfs/dbraw/zinc/68/00/04/570680004.db2.gz JMAJATPQSASOSH-IBGZPJMESA-N 0 0 391.515 5.078 50 0 GKAARN CCSc1nc2c(sc3nc(C)cc(C)c32)c(Sc2ccccc2)n1 ZINC000005655009 570680461 /nfs/dbraw/zinc/68/04/61/570680461.db2.gz NDSGQPRWANZZFI-UHFFFAOYSA-N 0 0 383.567 6.120 50 0 GKAARN CC[C@](C)(OC(=O)c1ccc(Br)cc1)[C@@](C)(CC)c1ccccc1 ZINC000003132606 570680772 /nfs/dbraw/zinc/68/07/72/570680772.db2.gz WMSRUBHZRHNWHT-SFTDATJTSA-N 0 0 389.333 6.143 50 0 GKAARN CC[C@](C)(OC(=O)c1ccc(Br)cc1)C(C)(C)c1ccccc1 ZINC000003132602 570680806 /nfs/dbraw/zinc/68/08/06/570680806.db2.gz DXAGXSFEDDTBTC-FQEVSTJZSA-N 0 0 375.306 5.752 50 0 GKAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(Cl)c1 ZINC000006886626 570680953 /nfs/dbraw/zinc/68/09/53/570680953.db2.gz LOPVDZZXSAXCKY-UHFFFAOYSA-N 0 0 380.856 5.994 50 0 GKAARN Cc1ccc2nc(NC(=O)c3ccccc3NC(=O)c3ccccc3)sc2c1 ZINC000006886853 570681232 /nfs/dbraw/zinc/68/12/32/570681232.db2.gz SKEDPDFOSUXWPV-UHFFFAOYSA-N 0 0 387.464 5.109 50 0 GKAARN CCCn1nc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2c1=O ZINC000008724150 570681579 /nfs/dbraw/zinc/68/15/79/570681579.db2.gz HMKBKNCERTUXAR-UHFFFAOYSA-N 0 0 391.515 5.306 50 0 GKAARN O=C(NCCCOC1CCCCC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000036397471 570681681 /nfs/dbraw/zinc/68/16/81/570681681.db2.gz BWSDHAGWZQFSSB-RTBURBONSA-N 0 0 398.572 5.202 50 0 GKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCN(c2ccccc2)C[C@@H]1C ZINC000055099409 570683069 /nfs/dbraw/zinc/68/30/69/570683069.db2.gz GHZNPXCTRGYORS-INIZCTEOSA-N 0 0 381.907 5.014 50 0 GKAARN CC(C)c1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1 ZINC000169772005 570683784 /nfs/dbraw/zinc/68/37/84/570683784.db2.gz AWXMPDUKTIKBKX-OAQYLSRUSA-N 0 0 395.890 5.184 50 0 GKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccc(F)cc1)CCCC3 ZINC000033043018 570685437 /nfs/dbraw/zinc/68/54/37/570685437.db2.gz PJHMIAYBAKJSNY-CQSZACIVSA-N 0 0 395.503 5.665 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)N1CCS[C@H](c2ccccc2C)CC1 ZINC000219298521 570686663 /nfs/dbraw/zinc/68/66/63/570686663.db2.gz BZUJLNOOIFTAHE-IBGZPJMESA-N 0 0 390.936 5.369 50 0 GKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc1 ZINC000012602679 570690188 /nfs/dbraw/zinc/69/01/88/570690188.db2.gz FBOBPJHLCCIAPC-UHFFFAOYSA-N 0 0 391.261 5.943 50 0 GKAARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)c(C)c1 ZINC000005793494 570690757 /nfs/dbraw/zinc/69/07/57/570690757.db2.gz QYGROZVUYMWCSY-UHFFFAOYSA-N 0 0 388.536 5.614 50 0 GKAARN CC(C)[C@H]1Cc2c(sc3nc(SC/C=C\c4ccccc4)nc(N)c23)CO1 ZINC000005796411 570691242 /nfs/dbraw/zinc/69/12/42/570691242.db2.gz HCGYCTGQSXLEHQ-CXOKCQFOSA-N 0 0 397.569 5.176 50 0 GKAARN CC[C@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccccc1C ZINC000006893865 570692104 /nfs/dbraw/zinc/69/21/04/570692104.db2.gz WFUUYMQQMTXKSS-KRWDZBQOSA-N 0 0 396.541 5.070 50 0 GKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nncn2c3ccoc3cc12 ZINC000006893960 570693372 /nfs/dbraw/zinc/69/33/72/570693372.db2.gz OUWXYKRZCCJWQM-UHFFFAOYSA-N 0 0 376.441 5.040 50 0 GKAARN CCc1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3 ZINC000006894456 570693817 /nfs/dbraw/zinc/69/38/17/570693817.db2.gz WUDDVTWTQYAXIX-UHFFFAOYSA-N 0 0 377.440 5.300 50 0 GKAARN CCc1nnc(SCc2nc(-c3ccccc3)oc2C)c2cc3occc3n21 ZINC000006894192 570693876 /nfs/dbraw/zinc/69/38/76/570693876.db2.gz NZTONMQXWZRUOZ-UHFFFAOYSA-N 0 0 390.468 5.294 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)cc2Cl)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000006894463 570693889 /nfs/dbraw/zinc/69/38/89/570693889.db2.gz NXBDLLUCXHITND-UHFFFAOYSA-N 0 0 397.858 5.699 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3 ZINC000006894467 570693918 /nfs/dbraw/zinc/69/39/18/570693918.db2.gz QGZLVTHXAULYDW-UHFFFAOYSA-N 0 0 391.467 5.608 50 0 GKAARN COc1ccccc1-n1c(SCc2cc(F)cc(F)c2)nnc1-c1ccco1 ZINC000004358556 570694154 /nfs/dbraw/zinc/69/41/54/570694154.db2.gz HMBUBUMBOIDKEL-UHFFFAOYSA-N 0 0 399.422 5.106 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccs1)C1CCOCC1 ZINC000207962209 570695477 /nfs/dbraw/zinc/69/54/77/570695477.db2.gz KXYCPVDRUQROTH-UHFFFAOYSA-N 0 0 385.316 5.268 50 0 GKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C1(c2ccccc2)CCCC1 ZINC000012651775 570695534 /nfs/dbraw/zinc/69/55/34/570695534.db2.gz QCWNJUBZCGBIOS-UHFFFAOYSA-N 0 0 383.451 5.340 50 0 GKAARN Cc1cc(NC(=O)c2ccccc2)cc(-c2nc3cc(Cl)ccc3o2)c1O ZINC000012651573 570695603 /nfs/dbraw/zinc/69/56/03/570695603.db2.gz WDTGRXLSXROYDJ-UHFFFAOYSA-N 0 0 378.815 5.415 50 0 GKAARN Cc1ccc(-c2noc(COc3ccc4ccccc4c3Br)n2)cc1 ZINC000012653951 570695906 /nfs/dbraw/zinc/69/59/06/570695906.db2.gz HTABEILPWJBCTJ-UHFFFAOYSA-N 0 0 395.256 5.540 50 0 GKAARN COc1ccc(-c2c/c(=N\c3cc(OC)ccc3OC)c3ccccc3o2)cc1 ZINC000012662278 570696497 /nfs/dbraw/zinc/69/64/97/570696497.db2.gz PJGLLSWBTLOMDJ-LKUDQCMESA-N 0 0 387.435 5.358 50 0 biogenic GKAARN Cc1ccccc1-n1c(SCc2ccccn2)nnc1-c1ccccc1F ZINC000004357134 570696934 /nfs/dbraw/zinc/69/69/34/570696934.db2.gz JNMPBXNNQBJJES-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN CCc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)cc1 ZINC000006901995 570696995 /nfs/dbraw/zinc/69/69/95/570696995.db2.gz CXKNQBWUQLNMMS-UHFFFAOYSA-N 0 0 379.529 5.063 50 0 GKAARN CCc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 ZINC000006901997 570696998 /nfs/dbraw/zinc/69/69/98/570696998.db2.gz SMUYTWUMMCLVDP-UHFFFAOYSA-N 0 0 393.556 5.453 50 0 GKAARN O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccccc1 ZINC000006901973 570697008 /nfs/dbraw/zinc/69/70/08/570697008.db2.gz NEUQHLWATGBCMZ-UHFFFAOYSA-N 0 0 379.529 5.281 50 0 GKAARN Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 ZINC000004357511 570697405 /nfs/dbraw/zinc/69/74/05/570697405.db2.gz DRNDJVXWCZQOBQ-UHFFFAOYSA-N 0 0 386.524 5.547 50 0 GKAARN Cc1ccccc1-n1c(SCc2ccccc2F)nnc1-c1cccnc1 ZINC000004357907 570697635 /nfs/dbraw/zinc/69/76/35/570697635.db2.gz RWOITXMWHUCZKN-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN Cc1ccccc1-n1c(SCc2cccc(F)c2)nnc1-c1ccc(F)cc1 ZINC000004357644 570697831 /nfs/dbraw/zinc/69/78/31/570697831.db2.gz VLYTYQGDTNDVCI-UHFFFAOYSA-N 0 0 393.462 5.813 50 0 GKAARN Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1 ZINC000004358486 570698239 /nfs/dbraw/zinc/69/82/39/570698239.db2.gz HXJDPMAQZNAOBN-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN Fc1ccc(-n2c(SCc3ccc(F)cc3F)nnc2-c2ccco2)cc1 ZINC000004358733 570698625 /nfs/dbraw/zinc/69/86/25/570698625.db2.gz WVTUSTRQDLEFRD-UHFFFAOYSA-N 0 0 387.386 5.237 50 0 GKAARN CC(=O)N(c1nc(CSc2nc3cc(C)ccc3[nH]2)cs1)c1ccccc1 ZINC000006908907 570698639 /nfs/dbraw/zinc/69/86/39/570698639.db2.gz CYFYCHQBTSGXOM-UHFFFAOYSA-N 0 0 394.525 5.305 50 0 GKAARN COCCn1c(-c2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000006908274 570698863 /nfs/dbraw/zinc/69/88/63/570698863.db2.gz ZZZYNFUUKNFCFW-UHFFFAOYSA-N 0 0 384.479 5.539 50 0 GKAARN Cc1ccc(-n2c(SCc3cc(F)cc(F)c3)nnc2-c2cccnc2)cc1 ZINC000004359005 570699069 /nfs/dbraw/zinc/69/90/69/570699069.db2.gz KOBMPGWYNOAKCG-UHFFFAOYSA-N 0 0 394.450 5.208 50 0 GKAARN COc1ccccc1-n1c(SCc2cccc(F)c2F)nnc1-c1ccco1 ZINC000004359017 570699095 /nfs/dbraw/zinc/69/90/95/570699095.db2.gz STFAWGKJHQMELW-UHFFFAOYSA-N 0 0 399.422 5.106 50 0 GKAARN FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2Cc1ccccc1 ZINC000006909349 570699205 /nfs/dbraw/zinc/69/92/05/570699205.db2.gz YMYPEVUWRBFEJT-UHFFFAOYSA-N 0 0 386.804 6.424 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2COc2ccccc2-3)cc1 ZINC000013828406 570699602 /nfs/dbraw/zinc/69/96/02/570699602.db2.gz MQNWGBGWLBYZDQ-UHFFFAOYSA-N 0 0 383.422 6.123 50 0 GKAARN CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(F)F ZINC000015010880 570700218 /nfs/dbraw/zinc/70/02/18/570700218.db2.gz UUDLVLGZUCOKFT-UHFFFAOYSA-N 0 0 376.186 5.246 50 0 GKAARN CCOCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1 ZINC000006913575 570700328 /nfs/dbraw/zinc/70/03/28/570700328.db2.gz DTFSYAXVUVBXRW-UHFFFAOYSA-N 0 0 398.934 5.116 50 0 GKAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NC3CCCC3)cc12 ZINC000006913511 570700347 /nfs/dbraw/zinc/70/03/47/570700347.db2.gz LBGNSBDVBFQRNU-UHFFFAOYSA-N 0 0 380.919 5.632 50 0 GKAARN COc1ccc([C@H](C)N(C)Cc2nc(-c3ccc(OC)c(C)c3)oc2C)cc1 ZINC000012710970 570702804 /nfs/dbraw/zinc/70/28/04/570702804.db2.gz SLOXJPVEQWLWOV-INIZCTEOSA-N 0 0 380.488 5.169 50 0 GKAARN COc1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(F)c1 ZINC000012713758 570703832 /nfs/dbraw/zinc/70/38/32/570703832.db2.gz DXLFRNGZJBJBAD-INIZCTEOSA-N 0 0 389.474 5.332 50 0 GKAARN CN(C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)C1CCCCC1 ZINC000017356643 570704818 /nfs/dbraw/zinc/70/48/18/570704818.db2.gz 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CC[C@H](C)c1ccccc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000005063776 570730827 /nfs/dbraw/zinc/73/08/27/570730827.db2.gz YJLDYOICGLKXSX-KRWDZBQOSA-N 0 0 397.474 6.226 50 0 GKAARN CCCN(C(=O)Nc1ccc(NC(=O)OCC)cc1)[C@H]1CCc2ccccc21 ZINC000058392385 570730899 /nfs/dbraw/zinc/73/08/99/570730899.db2.gz HPNCQPPUSWJXJU-FQEVSTJZSA-N 0 0 381.476 5.186 50 0 GKAARN COc1ccc(Oc2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 ZINC000000939357 570731046 /nfs/dbraw/zinc/73/10/46/570731046.db2.gz FRBURVONQVOXLS-UHFFFAOYSA-N 0 0 388.419 5.481 50 0 biogenic GKAARN COc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2ccc(OC)cc2)cc1 ZINC000000939930 570731381 /nfs/dbraw/zinc/73/13/81/570731381.db2.gz SKYINHGMARPJMJ-HSZRJFAPSA-N 0 0 393.508 5.392 50 0 GKAARN COc1ccc(-c2nc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)sc2C)cc1 ZINC000058419245 570732488 /nfs/dbraw/zinc/73/24/88/570732488.db2.gz BMFPLULSWJFUSU-LSDHHAIUSA-N 0 0 398.450 5.434 50 0 GKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@H](C)CC2)cc1 ZINC000058424840 570732497 /nfs/dbraw/zinc/73/24/97/570732497.db2.gz XGWUPXSRWYRXJY-SFHVURJKSA-N 0 0 390.527 5.425 50 0 GKAARN Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 ZINC000000942833 570732429 /nfs/dbraw/zinc/73/24/29/570732429.db2.gz CLEYUUPWDKQMML-UHFFFAOYSA-N 0 0 395.311 5.513 50 0 GKAARN COC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000000942768 570732716 /nfs/dbraw/zinc/73/27/16/570732716.db2.gz PNPUUHZEGLRNEO-UHFFFAOYSA-N 0 0 394.301 5.058 50 0 GKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005810924 570732758 /nfs/dbraw/zinc/73/27/58/570732758.db2.gz SRLWMUQGWKOYLX-GRYGXNNOSA-N 0 0 388.592 5.804 50 0 GKAARN CCC(C)(C)[C@@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCC4 ZINC000012970698 570733034 /nfs/dbraw/zinc/73/30/34/570733034.db2.gz VEHVYJNZTDZLNX-GOSISDBHSA-N 0 0 389.608 7.302 50 0 GKAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3cccc(C(F)(F)F)c3)c2n1 ZINC000012970434 570733181 /nfs/dbraw/zinc/73/31/81/570733181.db2.gz BXJKEYJXTYLMIQ-UHFFFAOYSA-N 0 0 386.200 6.448 50 0 GKAARN CC(C)C(=O)Oc1ccc2c(c1)oc(C(C)C)c(-c1nc3ccccc3[nH]1)c2=O ZINC000000945292 570734177 /nfs/dbraw/zinc/73/41/77/570734177.db2.gz SXBVXMLJZLQZPF-UHFFFAOYSA-N 0 0 390.439 5.021 50 0 biogenic GKAARN Cc1oc2ccc(OCc3c(Cl)cccc3Cl)cc2c1C(=O)OC(C)C ZINC000000946553 570734582 /nfs/dbraw/zinc/73/45/82/570734582.db2.gz WEPVELSVZIZEJR-UHFFFAOYSA-N 0 0 393.266 6.192 50 0 GKAARN Cc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C(=O)OC(C)C ZINC000000946552 570734718 /nfs/dbraw/zinc/73/47/18/570734718.db2.gz KBWOBQKKZYMPNF-UHFFFAOYSA-N 0 0 376.811 5.678 50 0 GKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000065218912 570734777 /nfs/dbraw/zinc/73/47/77/570734777.db2.gz LVKCIAPIBSZBNT-UHFFFAOYSA-N 0 0 393.443 5.094 50 0 GKAARN Cc1ccsc1C(=O)Nc1ccsc1-c1nc(-c2ccc(C)cc2)no1 ZINC000065218894 570734839 /nfs/dbraw/zinc/73/48/39/570734839.db2.gz VFJOARDPGBGELP-UHFFFAOYSA-N 0 0 381.482 5.396 50 0 GKAARN Cc1ccc(C(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)cc1F ZINC000065219398 570734845 /nfs/dbraw/zinc/73/48/45/570734845.db2.gz PDXPRZUDILHRTK-UHFFFAOYSA-N 0 0 397.406 5.304 50 0 GKAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cc(Cl)ccc1OC ZINC000000949054 570735120 /nfs/dbraw/zinc/73/51/20/570735120.db2.gz XPTXPFLAXSFDBA-UHFFFAOYSA-N 0 0 384.863 5.434 50 0 GKAARN c1sc2ncnc(Sc3ccc4c(c3)OCCO4)c2c1-c1ccccc1 ZINC000000948844 570735143 /nfs/dbraw/zinc/73/51/43/570735143.db2.gz PXOMFMUHDVSNER-UHFFFAOYSA-N 0 0 378.478 5.281 50 0 GKAARN O=C(c1c[nH]c2ccccc12)[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000032679721 570736386 /nfs/dbraw/zinc/73/63/86/570736386.db2.gz LWCJCNMMTJZDBO-DEOSSOPVSA-N 0 0 398.462 5.365 50 0 GKAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000007005687 570736527 /nfs/dbraw/zinc/73/65/27/570736527.db2.gz ZZZLDOJFAVHMPJ-UHFFFAOYSA-N 0 0 398.510 5.457 50 0 GKAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1ccccc1Cl ZINC000007005663 570736554 /nfs/dbraw/zinc/73/65/54/570736554.db2.gz VORDOHPYNHZRIZ-UHFFFAOYSA-N 0 0 390.874 5.186 50 0 GKAARN CCN(C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)c1cccc(Cl)c1 ZINC000007000818 570737018 /nfs/dbraw/zinc/73/70/18/570737018.db2.gz HYCHFHOWAJVGQK-UHFFFAOYSA-N 0 0 397.906 5.369 50 0 GKAARN CSc1cccc(N[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1 ZINC000007002616 570737219 /nfs/dbraw/zinc/73/72/19/570737219.db2.gz SYRNFSJVQGFKCI-NSHDSACASA-N 0 0 399.566 5.608 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000955471 570737493 /nfs/dbraw/zinc/73/74/93/570737493.db2.gz BVHLNVLBHRFOEH-SOFGYWHQSA-N 0 0 398.673 5.150 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1Br)c1cccnc1 ZINC000000952064 570737516 /nfs/dbraw/zinc/73/75/16/570737516.db2.gz QOAZTZJDOKVJEH-NRFANRHFSA-N 0 0 392.300 5.835 50 0 GKAARN Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000011197667 570737894 /nfs/dbraw/zinc/73/78/94/570737894.db2.gz MYUCPUXZIHKCDB-GOSISDBHSA-N 0 0 379.529 5.225 50 0 GKAARN O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000000955634 570737972 /nfs/dbraw/zinc/73/79/72/570737972.db2.gz SFXRWLJRYTYHBI-UHFFFAOYSA-N 0 0 387.291 5.480 50 0 GKAARN CCOC(=O)c1nc2ccccc2c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000000956538 570738319 /nfs/dbraw/zinc/73/83/19/570738319.db2.gz PTAZGUNUSHZMJL-UHFFFAOYSA-N 0 0 385.423 5.342 50 0 GKAARN COc1ccc([C@H](Nc2cc(C)ccn2)c2c(C)[nH]c3ccccc32)cc1OC ZINC000000956926 570738388 /nfs/dbraw/zinc/73/83/88/570738388.db2.gz BHALWJOZQZIUHM-DEOSSOPVSA-N 0 0 387.483 5.398 50 0 GKAARN Cc1cc(=O)oc2cc(OC(=O)/C=C/c3c(Cl)cccc3Cl)ccc12 ZINC000000957085 570738424 /nfs/dbraw/zinc/73/84/24/570738424.db2.gz SFCDXPOSRFDNRC-BQYQJAHWSA-N 0 0 375.207 5.027 50 0 GKAARN Cc1cccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3C)c2-n2cccc2)c1 ZINC000007006014 570738678 /nfs/dbraw/zinc/73/86/78/570738678.db2.gz HTXKDHWMDZUFFK-UHFFFAOYSA-N 0 0 390.874 5.186 50 0 GKAARN CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(C)cc1)c2=O ZINC000000957155 570738807 /nfs/dbraw/zinc/73/88/07/570738807.db2.gz JIVVOZFDBVEEGL-CVEARBPZSA-N 0 0 396.439 5.003 50 0 GKAARN CCC[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1cccs1 ZINC000033052746 570739180 /nfs/dbraw/zinc/73/91/80/570739180.db2.gz QUNRVVLDBZSIFI-FQEVSTJZSA-N 0 0 387.508 5.630 50 0 GKAARN O=C(Cc1cccc2cccnc21)Nc1ccccc1N1CCc2ccccc21 ZINC000059849880 570739758 /nfs/dbraw/zinc/73/97/58/570739758.db2.gz BAJDEEWLHXYAEZ-UHFFFAOYSA-N 0 0 379.463 5.110 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000954907 570740086 /nfs/dbraw/zinc/74/00/86/570740086.db2.gz FUQBRBBTMBSOSP-XVNBXDOJSA-N 0 0 398.673 5.150 50 0 GKAARN Cc1ccc(OC(=O)Nc2c(C)cc(C)cc2C)c(I)c1 ZINC000000971304 570740901 /nfs/dbraw/zinc/74/09/01/570740901.db2.gz NHNYNMZANDIACS-UHFFFAOYSA-N 0 0 395.240 5.136 50 0 GKAARN CCCCCCC(=O)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000013002834 570741075 /nfs/dbraw/zinc/74/10/75/570741075.db2.gz JSFOUSGVHCJKRC-UHFFFAOYSA-N 0 0 387.527 5.706 50 0 GKAARN CC[C@@H](Cc1cc(OC)c(C)cc1OC)NC(=O)Nc1cccc2ccccc21 ZINC000000973740 570741188 /nfs/dbraw/zinc/74/11/88/570741188.db2.gz CSVCUIIUIQIYAS-IBGZPJMESA-N 0 0 392.499 5.308 50 0 GKAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000013006849 570741551 /nfs/dbraw/zinc/74/15/51/570741551.db2.gz FYWVTBJFUOQCGI-JOCHJYFZSA-N 0 0 395.886 5.186 50 0 GKAARN Cc1c(C(=O)Nc2c(C(C)C)cccc2C(C)C)cnn1-c1ccc(C)cc1 ZINC000013007207 570741561 /nfs/dbraw/zinc/74/15/61/570741561.db2.gz CBNSAFAPQIKVEP-UHFFFAOYSA-N 0 0 375.516 5.988 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1sc2nc3ccc(C)cc3cc2c1N ZINC000000976949 570742026 /nfs/dbraw/zinc/74/20/26/570742026.db2.gz MFSJMKCFCCQVSH-UHFFFAOYSA-N 0 0 389.524 5.717 50 0 GKAARN O=C1COc2ccc(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)cc2N1 ZINC000000990164 570742520 /nfs/dbraw/zinc/74/25/20/570742520.db2.gz MHZQYGPLUJKGBO-JOCHJYFZSA-N 0 0 386.476 5.375 50 0 GKAARN O=C1COc2ccc(C3=Nc4ccccc4S[C@H](c4ccccc4)C3)cc2N1 ZINC000000990165 570742574 /nfs/dbraw/zinc/74/25/74/570742574.db2.gz MHZQYGPLUJKGBO-QFIPXVFZSA-N 0 0 386.476 5.375 50 0 GKAARN O=C1Nc2ccccc2S[C@H](c2cccc3ccccc32)[C@H]1c1ccccc1 ZINC000000984729 570743405 /nfs/dbraw/zinc/74/34/05/570743405.db2.gz IGFQMKXQRLVIKV-DNQXCXABSA-N 0 0 381.500 6.409 50 0 GKAARN Cc1nc2c(sc3c2[C@H](c2ccccc2)CC(c2cccs2)=N3)c(=O)o1 ZINC000000989334 570743717 /nfs/dbraw/zinc/74/37/17/570743717.db2.gz MMJKTADZSUWMGQ-ZDUSSCGKSA-N 0 0 378.478 5.218 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000013063071 570744696 /nfs/dbraw/zinc/74/46/96/570744696.db2.gz HLNQAZNJGRHLJI-SFHVURJKSA-N 0 0 391.515 5.146 50 0 GKAARN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)Cc1ccccc1 ZINC000013060764 570744770 /nfs/dbraw/zinc/74/47/70/570744770.db2.gz DNICZCFLAMVTMR-UHFFFAOYSA-N 0 0 380.875 5.203 50 0 GKAARN CCn1cc(-c2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c2cccnc21 ZINC000065240989 570744931 /nfs/dbraw/zinc/74/49/31/570744931.db2.gz LRKRRMVXUSBIPK-UHFFFAOYSA-N 0 0 396.903 5.014 50 0 GKAARN CCn1cc(-c2nc(C)c(C(=O)Nc3cc(F)ccc3F)s2)c2cccnc21 ZINC000065240904 570745025 /nfs/dbraw/zinc/74/50/25/570745025.db2.gz WKTNVQMIHQKBQK-UHFFFAOYSA-N 0 0 398.438 5.019 50 0 GKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccsc1 ZINC000025250174 570745101 /nfs/dbraw/zinc/74/51/01/570745101.db2.gz FUBSEVLZNWDVDG-OUKQBFOZSA-N 0 0 399.519 5.273 50 0 GKAARN COc1ccc(OC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001017395 570745950 /nfs/dbraw/zinc/74/59/50/570745950.db2.gz FOXWLGRSZYQUSG-VIFPVBQESA-N 0 0 375.635 5.028 50 0 GKAARN O=C1S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccccc1 ZINC000001005426 570745955 /nfs/dbraw/zinc/74/59/55/570745955.db2.gz WTNQYAAHEUBWRX-PDGQHHTCSA-N 0 0 381.840 5.841 50 0 GKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2Nc1ccccc1 ZINC000021797996 570745945 /nfs/dbraw/zinc/74/59/45/570745945.db2.gz PSLLOGDNBNAAIZ-UHFFFAOYSA-N 0 0 376.463 6.140 50 0 GKAARN Cc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1CCc1ccccc1 ZINC000013097160 570746130 /nfs/dbraw/zinc/74/61/30/570746130.db2.gz LYRVQEFTISUOEU-UHFFFAOYSA-N 0 0 385.866 5.402 50 0 GKAARN CCCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000096465702 570746393 /nfs/dbraw/zinc/74/63/93/570746393.db2.gz MCPXZDSFFFVTCF-POHAHGRESA-N 0 0 378.255 5.212 50 0 GKAARN Cc1ccc(-c2nnc(-n3cnc4cc(C)c(C)cc43)c3ccccc32)cc1C ZINC000001014169 570746860 /nfs/dbraw/zinc/74/68/60/570746860.db2.gz DOYIGJYEJMWYMT-UHFFFAOYSA-N 0 0 378.479 5.869 50 0 GKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000033059924 570746925 /nfs/dbraw/zinc/74/69/25/570746925.db2.gz LUDUFLLEILQYDK-INIZCTEOSA-N 0 0 375.497 5.195 50 0 GKAARN C[C@H](C(=O)c1ccc(Cl)cc1)[C@H](O)c1cccn(-c2ccccc2)c1=S ZINC000001023813 570747266 /nfs/dbraw/zinc/74/72/66/570747266.db2.gz XDCBXKOCHRSIGY-VLIAUNLRSA-N 0 0 383.900 5.413 50 0 GKAARN CSc1cccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1 ZINC000001026332 570747717 /nfs/dbraw/zinc/74/77/17/570747717.db2.gz AQDXISXONQAADD-UHFFFAOYSA-N 0 0 397.550 5.581 50 0 GKAARN O=C(Nc1cccnc1)c1sc(Nc2ccccc2F)nc1-c1ccccc1 ZINC000001061180 570749479 /nfs/dbraw/zinc/74/94/79/570749479.db2.gz GCLFKPRTMFRCJN-UHFFFAOYSA-N 0 0 390.443 5.340 50 0 GKAARN Fc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2c2ccccc2)cc1 ZINC000004414470 570749927 /nfs/dbraw/zinc/74/99/27/570749927.db2.gz RSKBCIXXDMRWOF-MHZLTWQESA-N 0 0 392.477 6.848 50 0 GKAARN Cc1c(O)ccc([C@]23CCC[C@@H]2C2(CCCC2)c2ccc(O)c(C)c2O3)c1O ZINC000001079803 570750754 /nfs/dbraw/zinc/75/07/54/570750754.db2.gz QYRVEVBLKHVGPQ-HYBUGGRVSA-N 0 0 380.484 5.320 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccc(C)c(C)c3)c12 ZINC000036615826 570751586 /nfs/dbraw/zinc/75/15/86/570751586.db2.gz GCQFVEVKQNKWKH-UHFFFAOYSA-N 0 0 388.446 5.046 50 0 GKAARN Cn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Cl)cc1Cl ZINC000036616291 570751914 /nfs/dbraw/zinc/75/19/14/570751914.db2.gz ZVMQLXAKEHNZSM-UHFFFAOYSA-N 0 0 397.265 5.194 50 0 GKAARN COc1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2-c2ccccc2)cc1 ZINC000013284578 570752568 /nfs/dbraw/zinc/75/25/68/570752568.db2.gz VGQIDHJBTXEVOG-UHFFFAOYSA-N 0 0 378.834 6.212 50 0 GKAARN Fc1cccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)c1 ZINC000013284573 570752584 /nfs/dbraw/zinc/75/25/84/570752584.db2.gz RKOJDXQNKHMLAT-UHFFFAOYSA-N 0 0 383.253 6.857 50 0 GKAARN Clc1cc(Cl)cc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 ZINC000013281843 570752608 /nfs/dbraw/zinc/75/26/08/570752608.db2.gz QYMNETLJURHNJL-UHFFFAOYSA-N 0 0 397.290 6.004 50 0 GKAARN CCN(C(=O)c1cc(-c2cnn(C(C)C)c2)nc2cc(C)cc(C)c21)C(C)C ZINC000063882949 570752806 /nfs/dbraw/zinc/75/28/06/570752806.db2.gz LIIMNWAOLTZMOI-UHFFFAOYSA-N 0 0 378.520 5.167 50 0 GKAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ccccc1CC ZINC000036616490 570752875 /nfs/dbraw/zinc/75/28/75/570752875.db2.gz UFGRTZVPCDZKJF-UHFFFAOYSA-N 0 0 376.504 5.232 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccccc3)c12 ZINC000036616482 570752994 /nfs/dbraw/zinc/75/29/94/570752994.db2.gz LSHQCXLJGGKGNA-MRXNPFEDSA-N 0 0 396.494 5.097 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cccc4ccccc43)c12 ZINC000036616716 570753281 /nfs/dbraw/zinc/75/32/81/570753281.db2.gz RJZVTMFLWLYICJ-UHFFFAOYSA-N 0 0 392.462 5.443 50 0 GKAARN CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013364388 570753765 /nfs/dbraw/zinc/75/37/65/570753765.db2.gz VIDKCUMGBNEAEY-UHFFFAOYSA-N 0 0 391.290 5.222 50 0 GKAARN Clc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364357 570753832 /nfs/dbraw/zinc/75/38/32/570753832.db2.gz VQJRHZULTKHXFL-LJQANCHMSA-N 0 0 396.277 6.245 50 0 GKAARN COc1ccc([C@@H]2CCCCN(C(=O)Nc3cc(Cl)ccc3OC)C2)cc1 ZINC000206887140 570754507 /nfs/dbraw/zinc/75/45/07/570754507.db2.gz JQIOWEAEYULORR-MRXNPFEDSA-N 0 0 388.895 5.159 50 0 GKAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1Cl ZINC000064471765 570754479 /nfs/dbraw/zinc/75/44/79/570754479.db2.gz XVKUXJOACJJLQY-UHFFFAOYSA-N 0 0 397.931 5.129 50 0 GKAARN COc1ccc([C@@H]2CCCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000206887032 570754679 /nfs/dbraw/zinc/75/46/79/570754679.db2.gz OPTRVEYWFZLJMM-MRXNPFEDSA-N 0 0 392.421 5.516 50 0 GKAARN Cc1cccn2cc(-c3ccccc3NC(=O)Cc3c(F)cccc3Cl)nc12 ZINC000206901770 570754901 /nfs/dbraw/zinc/75/49/01/570754901.db2.gz QOHDJRAZZXYHQP-UHFFFAOYSA-N 0 0 393.849 5.283 50 0 GKAARN c1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N24)cc1 ZINC000013511058 570756214 /nfs/dbraw/zinc/75/62/14/570756214.db2.gz MJAVVCYAKFNNDX-QSEAXJEQSA-N 0 0 378.519 6.644 50 0 GKAARN Cc1ccc(-c2nn(Cc3ccc(F)cc3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000036611545 570756364 /nfs/dbraw/zinc/75/63/64/570756364.db2.gz HGNIVGPNSSERBC-UHFFFAOYSA-N 0 0 390.889 6.675 50 0 GKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2)n1 ZINC000064801263 570756318 /nfs/dbraw/zinc/75/63/18/570756318.db2.gz GZHKHRKREUSGHH-UHFFFAOYSA-N 0 0 390.491 5.221 50 0 GKAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000064984146 570757215 /nfs/dbraw/zinc/75/72/15/570757215.db2.gz LQQJZQZESLPFQY-LBPRGKRZSA-N 0 0 375.968 5.077 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Cl)cc3)c12 ZINC000036613912 570757727 /nfs/dbraw/zinc/75/77/27/570757727.db2.gz DKYXNULOMDLCPO-UHFFFAOYSA-N 0 0 381.794 5.243 50 0 GKAARN CCOc1ccc(/N=c2\ssc3c2-c2cc(C)cc(C)c2NC3(C)C)cc1 ZINC000013552415 570757790 /nfs/dbraw/zinc/75/77/90/570757790.db2.gz ROAXCALYJFZDMK-LNVKXUELSA-N 0 0 396.581 6.385 50 0 GKAARN COc1ccc2cc([C@@H](C)C(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)ccc2c1 ZINC000032718851 570758440 /nfs/dbraw/zinc/75/84/40/570758440.db2.gz KBGQRHZWGMMACA-KGLIPLIRSA-N 0 0 379.422 5.141 50 0 GKAARN COc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)c(OC)c1 ZINC000007039818 570758480 /nfs/dbraw/zinc/75/84/80/570758480.db2.gz ZDPKKTFLLASKFW-SDNWHVSQSA-N 0 0 397.474 6.001 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3C)c2C)c1-c1ccccc1 ZINC000021914695 570758670 /nfs/dbraw/zinc/75/86/70/570758670.db2.gz KTWYJRMUEHYSEC-UHFFFAOYSA-N 0 0 390.874 5.227 50 0 GKAARN Cc1ccc(N[P@](=O)(CC(F)(F)F)Oc2ccc(Cl)cc2)cc1C ZINC000096558459 570759207 /nfs/dbraw/zinc/75/92/07/570759207.db2.gz NEAQDGBPODSSRI-DEOSSOPVSA-N 0 0 377.730 6.203 50 0 GKAARN CCCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c21 ZINC000036618367 570759405 /nfs/dbraw/zinc/75/94/05/570759405.db2.gz SCJDDUUJKQZDME-UHFFFAOYSA-N 0 0 395.459 5.287 50 0 GKAARN CCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1C ZINC000007044762 570762888 /nfs/dbraw/zinc/76/28/88/570762888.db2.gz DPSASHSXUJTXTD-QGZVFWFLSA-N 0 0 394.544 5.010 50 0 GKAARN Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(N3CCCC3)cc2C)c1C ZINC000032719528 570763757 /nfs/dbraw/zinc/76/37/57/570763757.db2.gz XDEWUHCWYPFNDB-UHFFFAOYSA-N 0 0 379.529 5.317 50 0 GKAARN O=C(CCC(=O)N1CCS[C@H](c2ccccc2Cl)CC1)c1ccccc1 ZINC000206990579 570764088 /nfs/dbraw/zinc/76/40/88/570764088.db2.gz ZOJDFMUYQAVPKE-FQEVSTJZSA-N 0 0 387.932 5.010 50 0 GKAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000036620399 570764297 /nfs/dbraw/zinc/76/42/97/570764297.db2.gz NPGDFZJOHGPHPX-FQEVSTJZSA-N 0 0 377.937 5.064 50 0 GKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000036619743 570765650 /nfs/dbraw/zinc/76/56/50/570765650.db2.gz YFAZBBUKDHNBLC-JOCHJYFZSA-N 0 0 387.520 5.399 50 0 GKAARN Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)c2c(n1)onc2-c1ccccc1 ZINC000013641749 570765703 /nfs/dbraw/zinc/76/57/03/570765703.db2.gz FFSNGTPCTKNSBU-NRFANRHFSA-N 0 0 397.478 5.566 50 0 GKAARN COc1ccccc1Cn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000013648289 570766805 /nfs/dbraw/zinc/76/68/05/570766805.db2.gz USFNEGFNDJYVSU-HXUWFJFHSA-N 0 0 398.550 6.444 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206991917 570767245 /nfs/dbraw/zinc/76/72/45/570767245.db2.gz HGELHEHHCRBHCO-HXUWFJFHSA-N 0 0 384.932 5.071 50 0 GKAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000032727591 570769401 /nfs/dbraw/zinc/76/94/01/570769401.db2.gz FFGMHMUQZSCGHA-UHFFFAOYSA-N 0 0 381.357 5.297 50 0 GKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1ccccc1)O2 ZINC000013688330 570774726 /nfs/dbraw/zinc/77/47/26/570774726.db2.gz ZQCXPUWIDFXPJG-XLIONFOSSA-N 0 0 395.256 5.284 50 0 GKAARN c1ccc(-c2cc([C@H]3c4ccccc4-c4ncccc43)c(-c3ccccc3)nn2)cc1 ZINC000096602603 570775213 /nfs/dbraw/zinc/77/52/13/570775213.db2.gz DBSKZBPOZJFAMA-SANMLTNESA-N 0 0 397.481 6.366 50 0 GKAARN O=C(C[C@H]1c2ccccc2C=C2c3cc4c(cc3CCN21)OCO4)c1ccccc1 ZINC000036635922 570775332 /nfs/dbraw/zinc/77/53/32/570775332.db2.gz PYCJPMXDAORYHF-QHCPKHFHSA-N 0 0 395.458 5.099 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000013690877 570775551 /nfs/dbraw/zinc/77/55/51/570775551.db2.gz ZBRWJDYQLWRGSJ-UHFFFAOYSA-N 0 0 387.483 5.254 50 0 GKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc2cccc3c2c1CC3 ZINC000004644294 570776206 /nfs/dbraw/zinc/77/62/06/570776206.db2.gz YXLFLTMCVKOIMU-GRSHGNNSSA-N 0 0 394.257 5.590 50 0 GKAARN CCCCOc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1 ZINC000004644533 570776588 /nfs/dbraw/zinc/77/65/88/570776588.db2.gz YWWJCMCVSIUTNP-AQTBWJFISA-N 0 0 389.373 5.229 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1Cl ZINC000005670386 570777152 /nfs/dbraw/zinc/77/71/52/570777152.db2.gz IPHJSXDTVFRMDA-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN O=C(COCc1nc2ccccc2s1)Nc1ccc(Oc2ccccc2)cc1 ZINC000007061243 570777236 /nfs/dbraw/zinc/77/72/36/570777236.db2.gz DMCYTWPXBJTUDW-UHFFFAOYSA-N 0 0 390.464 5.244 50 0 GKAARN CCc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000007061284 570777655 /nfs/dbraw/zinc/77/76/55/570777655.db2.gz SAXPJXURXKKQNH-UHFFFAOYSA-N 0 0 389.282 5.430 50 0 GKAARN Fc1cccc(Cl)c1CN[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000022024828 570777890 /nfs/dbraw/zinc/77/78/90/570777890.db2.gz FGDAWWAFLHJPQD-NRFANRHFSA-N 0 0 379.866 5.429 50 0 GKAARN O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1ccccc1Br ZINC000067192372 570778980 /nfs/dbraw/zinc/77/89/80/570778980.db2.gz ZJASUCCAEQKZKU-JOCHJYFZSA-N 0 0 394.312 5.288 50 0 GKAARN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1cc(C2CC2)[nH]n1 ZINC000067542286 570781381 /nfs/dbraw/zinc/78/13/81/570781381.db2.gz AHKOSFXAWHUXPI-UHFFFAOYSA-N 0 0 388.446 5.014 50 0 GKAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)Cc1ccc2nccnc2c1 ZINC000067561497 570781644 /nfs/dbraw/zinc/78/16/44/570781644.db2.gz BIMONUSTZUDRLP-UHFFFAOYSA-N 0 0 394.478 5.378 50 0 GKAARN c1csc(CNc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c1 ZINC000007063118 570782248 /nfs/dbraw/zinc/78/22/48/570782248.db2.gz SZTLFTLQYOQKBR-UHFFFAOYSA-N 0 0 378.526 5.306 50 0 GKAARN COc1ccc2ccc(OC(=O)Cc3nc(-c4cccs4)oc3C)cc2c1 ZINC000036660564 570783336 /nfs/dbraw/zinc/78/33/36/570783336.db2.gz VDFIGPTWZRBVDV-UHFFFAOYSA-N 0 0 379.437 5.021 50 0 GKAARN O=C(CSc1nc2ccccc2s1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004451388 570783686 /nfs/dbraw/zinc/78/36/86/570783686.db2.gz ZRYNLBZJWGTABB-UHFFFAOYSA-N 0 0 386.586 5.111 50 0 GKAARN COc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1OC ZINC000013739506 570784454 /nfs/dbraw/zinc/78/44/54/570784454.db2.gz BOJTXPXBSLEUBC-VHXPQNKSSA-N 0 0 388.492 5.455 50 0 GKAARN Cc1cccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000013749235 570784558 /nfs/dbraw/zinc/78/45/58/570784558.db2.gz CWWPLIFJUHCIDA-OAQYLSRUSA-N 0 0 395.506 5.222 50 0 GKAARN C[C@H]1SC2=NC3=C(CCc4ccccc43)[C@H](c3ccc(Cl)cc3)N2C1=O ZINC000007089660 570784538 /nfs/dbraw/zinc/78/45/38/570784538.db2.gz ZWNGAVDMKOQOCV-BLVKFPJESA-N 0 0 380.900 5.072 50 0 GKAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2cc(C)cc(C)c2)o1)c1ccccc1 ZINC000007074003 570784863 /nfs/dbraw/zinc/78/48/63/570784863.db2.gz YSUPZFJMQPQTIX-IBGZPJMESA-N 0 0 395.528 5.055 50 0 GKAARN Cc1ccccc1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673403 570785188 /nfs/dbraw/zinc/78/51/88/570785188.db2.gz KRFKOWZDFITKJX-UHFFFAOYSA-N 0 0 393.870 5.056 50 0 GKAARN CC(C)CCn1c2ccccc2nc1S[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000032739536 570785350 /nfs/dbraw/zinc/78/53/50/570785350.db2.gz RDYBBIJOUVUGEC-INIZCTEOSA-N 0 0 392.528 5.986 50 0 GKAARN O=C(Cc1csc(-c2cccc(Cl)c2)n1)N1CCSc2ccccc21 ZINC000032740700 570786287 /nfs/dbraw/zinc/78/62/87/570786287.db2.gz WTPXQJHQLGYYRC-UHFFFAOYSA-N 0 0 386.929 5.145 50 0 GKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000032738025 570789336 /nfs/dbraw/zinc/78/93/36/570789336.db2.gz HLLJCUUGHIEZLF-UHFFFAOYSA-N 0 0 388.920 5.437 50 0 GKAARN CCCc1cncnc1NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067788536 570791273 /nfs/dbraw/zinc/79/12/73/570791273.db2.gz OEWAIWYCGIWJBY-UHFFFAOYSA-N 0 0 388.393 5.247 50 0 GKAARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1Cl ZINC000007108395 570791350 /nfs/dbraw/zinc/79/13/50/570791350.db2.gz GPIMIDUPQZUVNM-UHFFFAOYSA-N 0 0 383.618 5.054 50 0 GKAARN COc1cccc(/C=C/C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1 ZINC000024383865 570792654 /nfs/dbraw/zinc/79/26/54/570792654.db2.gz RNDYXUCVNYYQGR-HYSAVQALSA-N 0 0 378.497 5.072 50 0 GKAARN CCOc1ccc([C@H]2CCCN2C(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000032745074 570792744 /nfs/dbraw/zinc/79/27/44/570792744.db2.gz QDMSUAMSGGVHRH-GOSISDBHSA-N 0 0 394.462 5.638 50 0 GKAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000036705381 570793142 /nfs/dbraw/zinc/79/31/42/570793142.db2.gz GHLUNFVVBRVCNI-UHFFFAOYSA-N 0 0 389.411 5.087 50 0 GKAARN Cc1nc(-c2ccc(-c3cccc(C(=O)N4CCC(F)CC4)c3)s2)cs1 ZINC000534667071 570793470 /nfs/dbraw/zinc/79/34/70/570793470.db2.gz RPRHQWJLKAUFJE-UHFFFAOYSA-N 0 0 386.517 5.421 50 0 GKAARN CCN(Cc1ccccc1F)C(=O)c1ccc(-c2ccc(C(C)C)nn2)cc1 ZINC000534655093 570793509 /nfs/dbraw/zinc/79/35/09/570793509.db2.gz KKZDTCOPQVGQSX-UHFFFAOYSA-N 0 0 377.463 5.068 50 0 GKAARN Cc1nc2ccccc2n1Cc1cc(C)c(Cn2c(C)nc3ccccc32)cc1C ZINC000001201602 570793835 /nfs/dbraw/zinc/79/38/35/570793835.db2.gz BLDAQIRKIICGFT-UHFFFAOYSA-N 0 0 394.522 5.716 50 0 GKAARN c1ncn(C2CC2)c1CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067846786 570794176 /nfs/dbraw/zinc/79/41/76/570794176.db2.gz UQPDGJBRAGUGOY-UHFFFAOYSA-N 0 0 396.494 5.098 50 0 GKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219484505 570794227 /nfs/dbraw/zinc/79/42/27/570794227.db2.gz VQFQFTOLQNEVCZ-KRWDZBQOSA-N 0 0 395.977 5.266 50 0 GKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCS[C@@H](c2cccs2)CC1 ZINC000219484426 570794252 /nfs/dbraw/zinc/79/42/52/570794252.db2.gz VQFQFTOLQNEVCZ-QGZVFWFLSA-N 0 0 395.977 5.266 50 0 GKAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)c2ccccc2Cl)cc1 ZINC000004463893 570794417 /nfs/dbraw/zinc/79/44/17/570794417.db2.gz XCBFATFZVXBMBA-AWEZNQCLSA-N 0 0 385.847 5.442 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000011396718 570795001 /nfs/dbraw/zinc/79/50/01/570795001.db2.gz NVMPZZCYWMXJFL-UHFFFAOYSA-N 0 0 388.414 5.645 50 0 GKAARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000005825353 570795104 /nfs/dbraw/zinc/79/51/04/570795104.db2.gz UWNAEUKNBHFYPT-MLPAPPSSSA-N 0 0 380.488 5.899 50 0 GKAARN Fc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccco3)n2)cc1 ZINC000004477913 570796012 /nfs/dbraw/zinc/79/60/12/570796012.db2.gz KYYMPAXIKZPOPT-QGZVFWFLSA-N 0 0 395.484 5.959 50 0 GKAARN Cc1c(C(=O)N2CCC[C@H]2c2ccc(C)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000032754152 570796972 /nfs/dbraw/zinc/79/69/72/570796972.db2.gz GACUWUWMVHKCCT-SFHVURJKSA-N 0 0 391.540 5.471 50 0 GKAARN CCOc1ccccc1/N=c1\ssc2c1-c1cc(OC)ccc1NC2(C)C ZINC000018038240 570797277 /nfs/dbraw/zinc/79/72/77/570797277.db2.gz CDSULZZPRWJZPU-XDOYNYLZSA-N 0 0 398.553 5.777 50 0 GKAARN Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3C)no2)c1 ZINC000065320598 570798136 /nfs/dbraw/zinc/79/81/36/570798136.db2.gz TWHWNUQGYFSRBK-LJQANCHMSA-N 0 0 376.460 5.031 50 0 GKAARN Cc1ccc(-c2nnc(SCCOc3c(Cl)cccc3Cl)o2)cc1 ZINC000005864330 570798350 /nfs/dbraw/zinc/79/83/50/570798350.db2.gz ODBTUCFYKUZSPQ-UHFFFAOYSA-N 0 0 381.284 5.523 50 0 GKAARN CCOc1ccc(/N=c2\scc(-c3ccc(Br)s3)n2C)cc1 ZINC000005673377 570798707 /nfs/dbraw/zinc/79/87/07/570798707.db2.gz JXEYWHCUDDRMOA-VLGSPTGOSA-N 0 0 395.347 5.209 50 0 GKAARN Cc1ccc(-c2noc(CN(Cc3ccc(C(F)(F)F)cc3)C3CC3)n2)cc1 ZINC000032777461 570799939 /nfs/dbraw/zinc/79/99/39/570799939.db2.gz DBQCGSUICNCMIH-UHFFFAOYSA-N 0 0 387.405 5.228 50 0 GKAARN CN(Cc1ccc(Br)s1)C(=O)c1ccc(Cl)cc1Cl ZINC000018107727 570800113 /nfs/dbraw/zinc/80/01/13/570800113.db2.gz UWRXYKSNFVUBHN-UHFFFAOYSA-N 0 0 379.106 5.090 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1Cl ZINC000004487767 570800364 /nfs/dbraw/zinc/80/03/64/570800364.db2.gz FQAVZAZEIHVFBD-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1F ZINC000004487760 570800371 /nfs/dbraw/zinc/80/03/71/570800371.db2.gz URQJUKDSDHXCAS-UHFFFAOYSA-N 0 0 378.428 5.363 50 0 GKAARN C[C@]1(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CC1(Cl)Cl ZINC000022191307 570801178 /nfs/dbraw/zinc/80/11/78/570801178.db2.gz RZKHUDKAJUIKPT-QGZVFWFLSA-N 0 0 377.296 5.486 50 0 GKAARN CCOc1ccc(N=C2S/C(=C/c3ccc(Cl)cc3)C(=O)N2CC)cc1 ZINC000005897046 570801742 /nfs/dbraw/zinc/80/17/42/570801742.db2.gz HGAXWNXBKWZTNH-RAYXNOPOSA-N 0 0 386.904 5.363 50 0 GKAARN COc1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3n2C)cc1 ZINC000005901454 570802671 /nfs/dbraw/zinc/80/26/71/570802671.db2.gz IVKCDMJDLRUVIE-UHFFFAOYSA-N 0 0 380.451 5.306 50 0 GKAARN O=C(NCCSCc1cccs1)c1ccc(CSc2ccccc2)cc1 ZINC000005901468 570803052 /nfs/dbraw/zinc/80/30/52/570803052.db2.gz IREMSQJURKFEEY-UHFFFAOYSA-N 0 0 399.606 5.704 50 0 GKAARN CCOc1cc(-c2cccs2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000005906043 570803136 /nfs/dbraw/zinc/80/31/36/570803136.db2.gz OZLDFMMPECLRGD-LKUDQCMESA-N 0 0 389.520 6.718 50 0 biogenic GKAARN COc1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000005917879 570803583 /nfs/dbraw/zinc/80/35/83/570803583.db2.gz IRAZEYNZZJVYML-UHFFFAOYSA-N 0 0 378.375 5.090 50 0 GKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073105 570804052 /nfs/dbraw/zinc/80/40/52/570804052.db2.gz YBOUISHBPZFSJZ-UHFFFAOYSA-N 0 0 383.854 5.270 50 0 GKAARN Cc1cc(C)cc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000033072554 570804103 /nfs/dbraw/zinc/80/41/03/570804103.db2.gz OINHXFXJQFJNFC-UHFFFAOYSA-N 0 0 398.510 5.058 50 0 GKAARN Cc1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1C ZINC000033072515 570804209 /nfs/dbraw/zinc/80/42/09/570804209.db2.gz AZSZQNYVVAMEOW-UHFFFAOYSA-N 0 0 398.510 5.058 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000005926907 570804549 /nfs/dbraw/zinc/80/45/49/570804549.db2.gz OIAJLQQPORPYLT-UHFFFAOYSA-N 0 0 396.446 6.419 50 0 GKAARN c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 ZINC000005934632 570805322 /nfs/dbraw/zinc/80/53/22/570805322.db2.gz LLDHFGNRQBOROK-UHFFFAOYSA-N 0 0 383.480 5.103 50 0 GKAARN Cc1cc(NC(=O)c2cc3ccccc3[nH]2)ccc1-c1nc2ccccc2s1 ZINC000033084486 570805926 /nfs/dbraw/zinc/80/59/26/570805926.db2.gz XEOKXGMSQFQCDG-UHFFFAOYSA-N 0 0 383.476 6.005 50 0 GKAARN C[C@@H](NC(=O)CSc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000007157240 570805988 /nfs/dbraw/zinc/80/59/88/570805988.db2.gz FYHOCODODGLZGG-BUBBNXEVSA-N 0 0 386.586 5.110 50 0 GKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CSc3ccccc3)cc12 ZINC000033084553 570806253 /nfs/dbraw/zinc/80/62/53/570806253.db2.gz MBYHNGWHCCCVIL-UHFFFAOYSA-N 0 0 391.540 5.264 50 0 GKAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc(Cl)cc3)cc12 ZINC000033084536 570806317 /nfs/dbraw/zinc/80/63/17/570806317.db2.gz NHDUIJAZXJSVSB-UHFFFAOYSA-N 0 0 379.891 5.439 50 0 GKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc(Cl)cc3)cc12 ZINC000033084707 570806331 /nfs/dbraw/zinc/80/63/31/570806331.db2.gz VCXQJRBRAGBWLB-UHFFFAOYSA-N 0 0 393.918 5.685 50 0 GKAARN Cc1cc(C(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)c(C)n1C1CC1 ZINC000007160273 570806369 /nfs/dbraw/zinc/80/63/69/570806369.db2.gz FHWUFNYJMPHXGT-UHFFFAOYSA-N 0 0 381.501 5.082 50 0 GKAARN C[C@H](Sc1ncnc2sccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000005938214 570806973 /nfs/dbraw/zinc/80/69/73/570806973.db2.gz JHQRQJPRQKTUHD-QMMMGPOBSA-N 0 0 384.313 5.117 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)ns1)c1cc(-c2ccccn2)ccc1Cl ZINC000165598303 570807214 /nfs/dbraw/zinc/80/72/14/570807214.db2.gz SDRCMCYJUMHGPE-UHFFFAOYSA-N 0 0 392.871 5.173 50 0 GKAARN O=c1oc(-c2cccs2)nc2scc(-c3ccc(Br)cc3)c21 ZINC000005945403 570807309 /nfs/dbraw/zinc/80/73/09/570807309.db2.gz FKLFTMVHILDNGL-UHFFFAOYSA-N 0 0 390.283 5.408 50 0 GKAARN Clc1ccc(OCCSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000005950366 570807715 /nfs/dbraw/zinc/80/77/15/570807715.db2.gz CTLQBOFDGQQUFC-UHFFFAOYSA-N 0 0 376.934 5.395 50 0 GKAARN N#CC1=C(c2ccccc2)C[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C1=O ZINC000005947827 570807723 /nfs/dbraw/zinc/80/77/23/570807723.db2.gz RSWJSZXTWQDYRD-HSZRJFAPSA-N 0 0 384.866 5.795 50 0 GKAARN Cc1noc(C)c1COc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000036739642 570807769 /nfs/dbraw/zinc/80/77/69/570807769.db2.gz UWGBCCWZRUUHNW-OAHLLOKOSA-N 0 0 398.890 5.357 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)C1CCCCC1 ZINC000005947948 570807775 /nfs/dbraw/zinc/80/77/75/570807775.db2.gz WYURQPZEHMEXMV-UHFFFAOYSA-N 0 0 390.508 5.560 50 0 GKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1ncnc2sccc21 ZINC000032779246 570807815 /nfs/dbraw/zinc/80/78/15/570807815.db2.gz VTAYTCWHUWBVKX-OAHLLOKOSA-N 0 0 388.496 5.141 50 0 GKAARN Fc1ccc(CSc2nnc(-c3cc4c(s3)-c3ccccc3CC4)o2)cc1 ZINC000005948203 570807842 /nfs/dbraw/zinc/80/78/42/570807842.db2.gz GVPYSZIDXTUNJI-UHFFFAOYSA-N 0 0 394.496 5.995 50 0 GKAARN CCCCn1nc(C)c2c1nc(-c1ccc(Cl)c(Cl)c1)cc2C(F)F ZINC000013961129 570808650 /nfs/dbraw/zinc/80/86/50/570808650.db2.gz MKXFCWLUTMZAAX-UHFFFAOYSA-N 0 0 384.257 6.451 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3Cl)n2)cc1 ZINC000013960507 570808807 /nfs/dbraw/zinc/80/88/07/570808807.db2.gz MBFPMUDWWIFVLS-UHFFFAOYSA-N 0 0 393.317 7.130 50 0 GKAARN C[C@H](c1nnc(S[C@@H](C)c2ccc(F)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000004490694 570809058 /nfs/dbraw/zinc/80/90/58/570809058.db2.gz DFCMHEKHVCHDJN-KGLIPLIRSA-N 0 0 388.487 5.021 50 0 GKAARN CCC(=O)N(CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000001774414 570809065 /nfs/dbraw/zinc/80/90/65/570809065.db2.gz LUVDFJKIHZPFDY-VXKWHMMOSA-N 0 0 397.559 5.472 50 0 biogenic GKAARN O=C(c1cccc(OC(F)F)c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032781461 570809176 /nfs/dbraw/zinc/80/91/76/570809176.db2.gz NKEBWVSSTKLDDU-KRWDZBQOSA-N 0 0 391.464 5.199 50 0 GKAARN COc1ccc(-c2nc(C(=O)NC3CCCCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000005959572 570809212 /nfs/dbraw/zinc/80/92/12/570809212.db2.gz WPYJPRNMYNZDCT-UHFFFAOYSA-N 0 0 399.494 5.454 50 0 biogenic GKAARN CC(=O)c1cc(CCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000032787422 570809920 /nfs/dbraw/zinc/80/99/20/570809920.db2.gz XWRRRTSJIQSYIM-INIZCTEOSA-N 0 0 375.468 5.268 50 0 GKAARN Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4F)o3)cs2)cc1 ZINC000005968361 570810118 /nfs/dbraw/zinc/81/01/18/570810118.db2.gz SAHLVGYZUDDCKG-UHFFFAOYSA-N 0 0 398.488 5.677 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2ccccc2F)cc1Cl ZINC000004659606 570810138 /nfs/dbraw/zinc/81/01/38/570810138.db2.gz WTGBNUOGDJKCEP-QBFSEMIESA-N 0 0 390.845 5.657 50 0 GKAARN CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000004659766 570810229 /nfs/dbraw/zinc/81/02/29/570810229.db2.gz NOBMXWQKPMXPAQ-UHFFFAOYSA-N 0 0 394.902 5.060 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccc(F)c(Cl)c1 ZINC000004659514 570810231 /nfs/dbraw/zinc/81/02/31/570810231.db2.gz VSADZISFMAIASG-FMIVXFBMSA-N 0 0 394.808 5.488 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)cs1 ZINC000005972008 570810690 /nfs/dbraw/zinc/81/06/90/570810690.db2.gz LAEYWXRGMJSAMK-UHFFFAOYSA-N 0 0 390.917 5.203 50 0 GKAARN O=C(CSc1c[nH]c2ccccc12)N1CCS[C@H](c2cccs2)CC1 ZINC000219524334 570810856 /nfs/dbraw/zinc/81/08/56/570810856.db2.gz XVPMTJYQSNNEMS-KRWDZBQOSA-N 0 0 388.583 5.028 50 0 GKAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c(Cl)c1 ZINC000005972546 570811164 /nfs/dbraw/zinc/81/11/64/570811164.db2.gz HZUCEUIMCNAZKD-UHFFFAOYSA-N 0 0 392.311 5.218 50 0 GKAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)cc1Cl ZINC000005689582 570811248 /nfs/dbraw/zinc/81/12/48/570811248.db2.gz PTLWJVFLUINAMX-JOCHJYFZSA-N 0 0 392.886 5.091 50 0 GKAARN CC[C@@H]1CCCCN1C(=S)Nc1sc(-c2ccccc2)cc1C(=O)OC ZINC000005984614 570811531 /nfs/dbraw/zinc/81/15/31/570811531.db2.gz WFUZFVWNQKIACU-OAHLLOKOSA-N 0 0 388.558 5.163 50 0 GKAARN CCCn1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 ZINC000034941087 570811533 /nfs/dbraw/zinc/81/15/33/570811533.db2.gz LYMUKHWREZFOSB-NDENLUEZSA-N 0 0 394.471 5.427 50 0 GKAARN CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 ZINC000004663412 570811983 /nfs/dbraw/zinc/81/19/83/570811983.db2.gz WLYKCBFLZSANHC-FDDCHVKYSA-N 0 0 386.495 5.678 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000004662075 570811998 /nfs/dbraw/zinc/81/19/98/570811998.db2.gz ODRLFLIPGSNKMV-UHFFFAOYSA-N 0 0 382.485 5.250 50 0 GKAARN CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000004663215 570812015 /nfs/dbraw/zinc/81/20/15/570812015.db2.gz QTTIYMOFSPKBAW-RZPHLTDDSA-N 0 0 384.523 6.223 50 0 GKAARN Cc1ccc(-c2nc(CSCC(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000032779052 570812040 /nfs/dbraw/zinc/81/20/40/570812040.db2.gz LGFUXLYTPCWVEJ-UHFFFAOYSA-N 0 0 382.554 5.607 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113757 570812382 /nfs/dbraw/zinc/81/23/82/570812382.db2.gz IZBQOVYVKFTGGY-UHFFFAOYSA-N 0 0 388.492 5.319 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4ccccc4n3)c2)cc1C ZINC000033113823 570812422 /nfs/dbraw/zinc/81/24/22/570812422.db2.gz RUQTUQUPKRWGTF-UHFFFAOYSA-N 0 0 388.492 5.319 50 0 GKAARN Cc1ccc2nc(-c3ccccc3NC(=O)COc3ccc(F)cc3)ccc2c1 ZINC000033113738 570812432 /nfs/dbraw/zinc/81/24/32/570812432.db2.gz AFQVWSIXARFVTJ-UHFFFAOYSA-N 0 0 386.426 5.367 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@H](C)SCc2csc(-c3ccsc3)n2)c1 ZINC000032779133 570812441 /nfs/dbraw/zinc/81/24/41/570812441.db2.gz BYRNLOCBZXAMSO-AWEZNQCLSA-N 0 0 388.583 5.749 50 0 GKAARN Cc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1-c1nc2ccccc2[nH]1 ZINC000004663847 570812740 /nfs/dbraw/zinc/81/27/40/570812740.db2.gz LTFUKRKHLADZGS-VYIQYICTSA-N 0 0 385.854 6.170 50 0 GKAARN O=C(CCCSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000007191788 570813032 /nfs/dbraw/zinc/81/30/32/570813032.db2.gz DZXAYEFDMHBAAF-UHFFFAOYSA-N 0 0 381.476 5.039 50 0 GKAARN CCc1ccccc1-n1cnc2cc(C(=O)NCc3ccccc3Cl)ccc21 ZINC000004668638 570813213 /nfs/dbraw/zinc/81/32/13/570813213.db2.gz MACPDSGGSQOAON-UHFFFAOYSA-N 0 0 389.886 5.171 50 0 GKAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3[C@H](C)CC)nc2c1 ZINC000006004266 570813454 /nfs/dbraw/zinc/81/34/54/570813454.db2.gz MVOSTOBOAUWDFZ-CQSZACIVSA-N 0 0 383.517 5.206 50 0 GKAARN CCOc1ccccc1NC(=O)[C@H](Nc1cccc(SC)c1)c1ccccc1 ZINC000005694313 570813712 /nfs/dbraw/zinc/81/37/12/570813712.db2.gz NJTLGOHEPLPOQM-JOCHJYFZSA-N 0 0 392.524 5.599 50 0 GKAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)c(C)c1 ZINC000004498733 570813992 /nfs/dbraw/zinc/81/39/92/570813992.db2.gz 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CCOc1c2cc(NC(=O)[C@@H](CC)c3ccccc3)ccc2sc1C(=O)OC ZINC000033123396 570815302 /nfs/dbraw/zinc/81/53/02/570815302.db2.gz JBGQDXPLLZDBDX-INIZCTEOSA-N 0 0 397.496 5.219 50 0 GKAARN CCOc1ccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033123944 570815534 /nfs/dbraw/zinc/81/55/34/570815534.db2.gz SWLFNTIEDIBQCA-UHFFFAOYSA-N 0 0 389.430 6.017 50 0 GKAARN CCC[C@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000032795303 570815634 /nfs/dbraw/zinc/81/56/34/570815634.db2.gz BSPJVTAJTUCINR-ZBFHGGJFSA-N 0 0 386.446 5.333 50 0 GKAARN Cc1ccc(CNC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033123877 570815670 /nfs/dbraw/zinc/81/56/70/570815670.db2.gz CIPCLYIORRACIW-UHFFFAOYSA-N 0 0 389.886 6.118 50 0 GKAARN COc1ccc(OC)c(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1 ZINC000033123760 570815684 /nfs/dbraw/zinc/81/56/84/570815684.db2.gz LGUXMOMZSJOGTR-UHFFFAOYSA-N 0 0 387.439 5.496 50 0 GKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)Nc1ccccc1Cl ZINC000033123912 570815703 /nfs/dbraw/zinc/81/57/03/570815703.db2.gz CYHLADLHKODGJW-UHFFFAOYSA-N 0 0 379.822 6.271 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1Cl ZINC000033123919 570815717 /nfs/dbraw/zinc/81/57/17/570815717.db2.gz BUZDSWCPWOKNDP-UHFFFAOYSA-N 0 0 393.849 6.580 50 0 GKAARN COc1ccc(NC(=O)Nc2cccc(-c3cc4cc(Cl)ccc4[nH]3)c2)cc1 ZINC000033123661 570815739 /nfs/dbraw/zinc/81/57/39/570815739.db2.gz AJIGZOCFQLATHI-UHFFFAOYSA-N 0 0 391.858 6.141 50 0 GKAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3c(Cl)cccc3Cl)C2)cc1 ZINC000101127665 570815833 /nfs/dbraw/zinc/81/58/33/570815833.db2.gz FMNLHSOOOHCLFK-HNNXBMFYSA-N 0 0 377.662 5.294 50 0 GKAARN CSc1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000033124136 570815891 /nfs/dbraw/zinc/81/58/91/570815891.db2.gz FBWUSTKPVOREDE-UHFFFAOYSA-N 0 0 391.521 6.329 50 0 GKAARN CCOc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033124098 570815928 /nfs/dbraw/zinc/81/59/28/570815928.db2.gz DVQFJKDTHYQJCG-UHFFFAOYSA-N 0 0 389.480 6.006 50 0 GKAARN COc1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000033124065 570815994 /nfs/dbraw/zinc/81/59/94/570815994.db2.gz MUGWSIMJPZILGK-UHFFFAOYSA-N 0 0 375.453 5.616 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124099 570815998 /nfs/dbraw/zinc/81/59/98/570815998.db2.gz CQBHXCFTYKBHQU-UHFFFAOYSA-N 0 0 393.899 6.569 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1F ZINC000033123968 570816009 /nfs/dbraw/zinc/81/60/09/570816009.db2.gz YVTHVXZATXJMRT-UHFFFAOYSA-N 0 0 377.394 6.066 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1cc(F)ccc1F ZINC000033124123 570816056 /nfs/dbraw/zinc/81/60/56/570816056.db2.gz WJQMFWCMIVPCIY-UHFFFAOYSA-N 0 0 381.407 5.886 50 0 GKAARN COc1ccc(C)cc1NC(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033123979 570816060 /nfs/dbraw/zinc/81/60/60/570816060.db2.gz XLVGPEKGUKVEMC-UHFFFAOYSA-N 0 0 389.430 5.935 50 0 GKAARN COc1ccc(C)cc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124128 570816141 /nfs/dbraw/zinc/81/61/41/570816141.db2.gz SSUDLNFWCKJJTE-UHFFFAOYSA-N 0 0 389.480 5.924 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000033124175 570816144 /nfs/dbraw/zinc/81/61/44/570816144.db2.gz YVGUFQNIPKCRCJ-UHFFFAOYSA-N 0 0 393.899 6.569 50 0 GKAARN Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccco3)oc12 ZINC000101192219 570816609 /nfs/dbraw/zinc/81/66/09/570816609.db2.gz FTQWXWICPUNZEQ-UHFFFAOYSA-N 0 0 379.799 5.267 50 0 GKAARN CCC1=Nc2cc(C(=O)NCc3cccnc3)ccc2Sc2ccc(C)cc21 ZINC000004669602 570816782 /nfs/dbraw/zinc/81/67/82/570816782.db2.gz URDKQQIMLBJZOD-UHFFFAOYSA-N 0 0 387.508 5.315 50 0 GKAARN CCCC1=Nc2cc(C(=O)NC3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000004670231 570816788 /nfs/dbraw/zinc/81/67/88/570816788.db2.gz AAFHRLBIEMJBDA-UHFFFAOYSA-N 0 0 392.568 6.443 50 0 GKAARN Clc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)cc1 ZINC000101236877 570817063 /nfs/dbraw/zinc/81/70/63/570817063.db2.gz DQFZYAUKEHJUHF-QFIPXVFZSA-N 0 0 384.870 5.655 50 0 GKAARN Clc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3nc4ccccc4n32)cc1 ZINC000101227367 570817144 /nfs/dbraw/zinc/81/71/44/570817144.db2.gz KLNXWHDMRJSQCS-TZIWHRDSSA-N 0 0 394.305 6.489 50 0 GKAARN Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000004502001 570817153 /nfs/dbraw/zinc/81/71/53/570817153.db2.gz PCDGCFQVVJKMRO-IBGZPJMESA-N 0 0 398.915 5.451 50 0 GKAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000004503035 570817235 /nfs/dbraw/zinc/81/72/35/570817235.db2.gz CSYRCBUYFTUILY-KPKJPENVSA-N 0 0 392.252 6.000 50 0 GKAARN CC(C(=O)Nc1ccc2c(c1)oc1ccccc12)(c1ccccc1)c1ccccc1 ZINC000004503030 570817258 /nfs/dbraw/zinc/81/72/58/570817258.db2.gz DICGSPUNORCXOK-UHFFFAOYSA-N 0 0 391.470 6.531 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1ccc(F)cc1 ZINC000005699392 570817409 /nfs/dbraw/zinc/81/74/09/570817409.db2.gz VVKDUSZNRZEXSJ-UHFFFAOYSA-N 0 0 394.446 5.015 50 0 GKAARN CN(C)c1cccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000005699422 570817581 /nfs/dbraw/zinc/81/75/81/570817581.db2.gz FSMACIBIYVXLNB-XMMPIXPASA-N 0 0 398.462 5.015 50 0 GKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cccc(Cl)c1 ZINC000033128707 570818089 /nfs/dbraw/zinc/81/80/89/570818089.db2.gz JCFIHEQGJCBLBG-UHFFFAOYSA-N 0 0 391.858 5.187 50 0 GKAARN C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000032797138 570818977 /nfs/dbraw/zinc/81/89/77/570818977.db2.gz JEWHTRNBMYDMAS-HNNXBMFYSA-N 0 0 384.401 5.812 50 0 GKAARN CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000032797126 570819035 /nfs/dbraw/zinc/81/90/35/570819035.db2.gz HXQMKHCPKRIPSB-NSHDSACASA-N 0 0 386.801 5.197 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126442 570819096 /nfs/dbraw/zinc/81/90/96/570819096.db2.gz CJUWCOJVFCMWGU-UHFFFAOYSA-N 0 0 384.414 5.279 50 0 GKAARN Cc1occc1-c1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1C ZINC000007236533 570819261 /nfs/dbraw/zinc/81/92/61/570819261.db2.gz KXQUGCWRKHNXLE-IBGZPJMESA-N 0 0 395.915 5.919 50 0 GKAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC=C(c2ccccc2)CC1 ZINC000014083777 570819557 /nfs/dbraw/zinc/81/95/57/570819557.db2.gz JPJHLQUBOOBNQX-UHFFFAOYSA-N 0 0 380.447 5.424 50 0 GKAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000004672485 570819630 /nfs/dbraw/zinc/81/96/30/570819630.db2.gz COTFNIJKWWJIFT-GSHUGGBRSA-N 0 0 388.511 5.465 50 0 GKAARN C[C@H](NC(=O)CCC(=O)NC1CCCCCCCCCCC1)c1ccccc1 ZINC000004671626 570820262 /nfs/dbraw/zinc/82/02/62/570820262.db2.gz JWIWXHRTCYBYIS-FQEVSTJZSA-N 0 0 386.580 5.434 50 0 GKAARN CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccccc1 ZINC000001829167 570820400 /nfs/dbraw/zinc/82/04/00/570820400.db2.gz LIMHPUIROCNJCR-XMMPIXPASA-N 0 0 381.560 6.042 50 0 biogenic GKAARN O=C(c1ncc(Cl)c(Cl)c1Cl)N1CCSc2ccc(Cl)cc21 ZINC000032802011 570820726 /nfs/dbraw/zinc/82/07/26/570820726.db2.gz KZUHXCPQYBGMEI-UHFFFAOYSA-N 0 0 394.110 5.448 50 0 GKAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130450 570821148 /nfs/dbraw/zinc/82/11/48/570821148.db2.gz MQAAXNYXEOJZPT-UHFFFAOYSA-N 0 0 399.425 5.005 50 0 GKAARN O=C(Nc1c2ccccc2[nH]c1-c1cccnc1)Nc1ccc(F)c(Cl)c1 ZINC000033130695 570821179 /nfs/dbraw/zinc/82/11/79/570821179.db2.gz WSKXKVRNNNOQCJ-UHFFFAOYSA-N 0 0 380.810 5.666 50 0 GKAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccccc4)c3)n2)cc1 ZINC000033130482 570821305 /nfs/dbraw/zinc/82/13/05/570821305.db2.gz AXGNBZJIJWFFDE-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)Nc1c2cc(F)ccc2[nH]c1-c1cccnc1 ZINC000033130758 570821498 /nfs/dbraw/zinc/82/14/98/570821498.db2.gz WQHMSTBGQQUJBP-UHFFFAOYSA-N 0 0 394.837 5.975 50 0 GKAARN CCOc1ccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)cc1 ZINC000033130756 570821619 /nfs/dbraw/zinc/82/16/19/570821619.db2.gz MTOQEBOYOQSZDN-UHFFFAOYSA-N 0 0 390.418 5.412 50 0 GKAARN COc1ccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)cc1 ZINC000033130752 570821646 /nfs/dbraw/zinc/82/16/46/570821646.db2.gz GEIINPNUDNPPQT-UHFFFAOYSA-N 0 0 376.391 5.022 50 0 GKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C12 ZINC000101423499 570821759 /nfs/dbraw/zinc/82/17/59/570821759.db2.gz BXQRDJGHVAJGMO-AREMUKBSSA-N 0 0 391.495 7.090 50 0 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/nfs/dbraw/zinc/84/14/52/570841452.db2.gz AKBZLTWPZQKGLJ-UHFFFAOYSA-N 0 0 390.442 6.414 50 0 GKAARN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000003315046 570842097 /nfs/dbraw/zinc/84/20/97/570842097.db2.gz OFCOGEFVBGRTGG-NRFANRHFSA-N 0 0 391.514 6.363 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004521962 570842588 /nfs/dbraw/zinc/84/25/88/570842588.db2.gz FQVDJRIGAKBRKW-UHFFFAOYSA-N 0 0 381.541 5.264 50 0 GKAARN COc1ccccc1NC(=O)[C@@H](C)Sc1cc(C)c2cc(C)cc(C)c2n1 ZINC000012542055 570842900 /nfs/dbraw/zinc/84/29/00/570842900.db2.gz SCZHYCYOWFYCPO-MRXNPFEDSA-N 0 0 380.513 5.288 50 0 GKAARN O=C(Nc1ccccc1F)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000102201180 570843205 /nfs/dbraw/zinc/84/32/05/570843205.db2.gz CIOJYQKSDPQVHB-UHFFFAOYSA-N 0 0 395.434 5.321 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000007435643 570843406 /nfs/dbraw/zinc/84/34/06/570843406.db2.gz QDCXCFYTFYPLFW-UHFFFAOYSA-N 0 0 390.533 6.023 50 0 GKAARN Cc1noc([C@H](C)Sc2nnc(-c3sc4ccccc4c3Cl)o2)n1 ZINC000037149609 570843452 /nfs/dbraw/zinc/84/34/52/570843452.db2.gz GKGGOGUFLOFHDM-ZETCQYMHSA-N 0 0 378.866 5.149 50 0 GKAARN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCc2nc(C)no2)cc1 ZINC000037143517 570843481 /nfs/dbraw/zinc/84/34/81/570843481.db2.gz XZFWKZXCHZRSPP-UHFFFAOYSA-N 0 0 393.365 5.200 50 0 GKAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1csc(-c2ccsc2)n1 ZINC000012543730 570844095 /nfs/dbraw/zinc/84/40/95/570844095.db2.gz WCBKDHMURGCXMY-UHFFFAOYSA-N 0 0 397.569 5.134 50 0 GKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccncc2)nn1 ZINC000007446755 570844327 /nfs/dbraw/zinc/84/43/27/570844327.db2.gz WFZRNWGANSZKSB-UHFFFAOYSA-N 0 0 394.500 5.402 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000003262165 570844359 /nfs/dbraw/zinc/84/43/59/570844359.db2.gz GKQFDRZMIIIZSM-UHFFFAOYSA-N 0 0 380.271 5.221 50 0 GKAARN Cc1cccc(OC(F)F)c1NC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000102257172 570844760 /nfs/dbraw/zinc/84/47/60/570844760.db2.gz XPMSSJNHYQKOBC-UHFFFAOYSA-N 0 0 384.382 5.381 50 0 GKAARN O=C(Nc1cccnc1Oc1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000032832668 570844952 /nfs/dbraw/zinc/84/49/52/570844952.db2.gz BNUIGUZMXVYINW-UHFFFAOYSA-N 0 0 377.202 5.572 50 0 GKAARN CN(C)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1 ZINC000032832458 570844988 /nfs/dbraw/zinc/84/49/88/570844988.db2.gz BCHXUSRLHJMPSO-UHFFFAOYSA-N 0 0 391.220 5.259 50 0 GKAARN Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=C\c1ccc(Br)cc1 ZINC000004534843 570846732 /nfs/dbraw/zinc/84/67/32/570846732.db2.gz DWRADOYUDPGUMG-MOSHPQCFSA-N 0 0 398.303 6.875 50 0 GKAARN O[C@@H]1CCCc2c(Oc3ncnc4scc(-c5ccc(F)cc5)c43)cccc21 ZINC000007467155 570847134 /nfs/dbraw/zinc/84/71/34/570847134.db2.gz UISOKTDYHWOTFW-GOSISDBHSA-N 0 0 392.455 5.659 50 0 GKAARN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)/C=C\c1c(F)cccc1F ZINC000102373923 570847565 /nfs/dbraw/zinc/84/75/65/570847565.db2.gz BURYLPCHELLLNV-KHPPLWFESA-N 0 0 383.398 5.099 50 0 GKAARN Cc1ccc(-c2c3c4c(sc3nc3c2C[C@@H](C(C)(C)C)CC3)CCC4)cc1 ZINC000012546721 570847788 /nfs/dbraw/zinc/84/77/88/570847788.db2.gz BSAAMECKEJZEBT-KRWDZBQOSA-N 0 0 375.581 6.911 50 0 GKAARN CC(C)c1ccc([C@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ncnn32)cc1 ZINC000102402262 570848315 /nfs/dbraw/zinc/84/83/15/570848315.db2.gz GAUUKOAFNLRMAB-IERDGZPVSA-N 0 0 390.512 5.528 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2cccc3ccccc32)N1c1ccc(Cl)cc1 ZINC000003280307 570848277 /nfs/dbraw/zinc/84/82/77/570848277.db2.gz MQDRKBWUZFZZOD-HSZRJFAPSA-N 0 0 384.866 6.264 50 0 GKAARN COc1ccc(N2C(=O)c3ccccc3N[C@]2(C)c2ccc(Cl)cc2)cc1 ZINC000003278262 570848382 /nfs/dbraw/zinc/84/83/82/570848382.db2.gz ZHCCYSPSRRWUAB-QFIPXVFZSA-N 0 0 378.859 5.294 50 0 GKAARN O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012547636 570849359 /nfs/dbraw/zinc/84/93/59/570849359.db2.gz ORCCDDHYPLIWQR-QFIPXVFZSA-N 0 0 383.451 5.333 50 0 GKAARN CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1Cl ZINC000060018358 570849495 /nfs/dbraw/zinc/84/94/95/570849495.db2.gz JLQBGRMBKHXZRD-UHFFFAOYSA-N 0 0 392.602 5.398 50 0 GKAARN CC[C@@H]1CN2C=Nc3oc(C)c(C(=O)Nc4ccc(-c5ccccc5)cc4)c3C2=N1 ZINC000102505193 570849504 /nfs/dbraw/zinc/84/95/04/570849504.db2.gz GOAWUFOCNVYKIF-GOSISDBHSA-N 0 0 398.466 5.022 50 0 GKAARN COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)oc1C ZINC000004537832 570849693 /nfs/dbraw/zinc/84/96/93/570849693.db2.gz NYOKDYOCIBFFKN-UHFFFAOYSA-N 0 0 376.239 5.823 50 0 GKAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003283614 570850649 /nfs/dbraw/zinc/85/06/49/570850649.db2.gz APXVUUVQXXBMAQ-UHFFFAOYSA-N 0 0 388.448 5.002 50 0 GKAARN Cc1sc(CNC(=O)c2cccc3ncccc32)nc1-c1ccc(Cl)cc1 ZINC000065680057 570850927 /nfs/dbraw/zinc/85/09/27/570850927.db2.gz PPUNCQMJGSQIGO-UHFFFAOYSA-N 0 0 393.899 5.250 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)COc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000003284877 570851198 /nfs/dbraw/zinc/85/11/98/570851198.db2.gz LXEVWDJINAWTMB-CQSZACIVSA-N 0 0 395.528 5.101 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(C)o1 ZINC000004539981 570851551 /nfs/dbraw/zinc/85/15/51/570851551.db2.gz 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/nfs/dbraw/zinc/85/33/35/570853335.db2.gz HSLQVUSMHZHHHS-UHFFFAOYSA-N 0 0 399.541 5.191 50 0 GKAARN Cc1nn2c(c1-c1ccccc1)N=C1CC(C)(C)CC(=O)C1[C@H]2c1cccnc1 ZINC000102588359 570853323 /nfs/dbraw/zinc/85/33/23/570853323.db2.gz IPRWRBMHLBDRKT-JOCHJYFZSA-N 0 0 384.483 5.561 50 0 GKAARN CC(C)(CO)CCCNC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1 ZINC000170596630 570853468 /nfs/dbraw/zinc/85/34/68/570853468.db2.gz RQDYNGVJNQOUMA-UHFFFAOYSA-N 0 0 395.927 5.159 50 0 GKAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@@H](c3cccs3)C12 ZINC000102597831 570853509 /nfs/dbraw/zinc/85/35/09/570853509.db2.gz ILOFNDYMLQFITR-XIKOKIGWSA-N 0 0 382.876 5.058 50 0 GKAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000033214621 570853684 /nfs/dbraw/zinc/85/36/84/570853684.db2.gz BDOIJIKROHIILK-UHFFFAOYSA-N 0 0 381.482 5.071 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000033215869 570853837 /nfs/dbraw/zinc/85/38/37/570853837.db2.gz SLUVVNLWCFGSPV-UHFFFAOYSA-N 0 0 392.484 5.205 50 0 GKAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(Cl)cc1 ZINC000012551198 570854064 /nfs/dbraw/zinc/85/40/64/570854064.db2.gz QTLFWROOOKGHKZ-CQSZACIVSA-N 0 0 395.915 5.136 50 0 GKAARN CCCCOCCCNC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 ZINC000004702636 570854143 /nfs/dbraw/zinc/85/41/43/570854143.db2.gz IICMLHPPOWYEMD-UHFFFAOYSA-N 0 0 380.488 5.205 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000004709241 570855258 /nfs/dbraw/zinc/85/52/58/570855258.db2.gz GMOYHRIQMCCNST-KRWDZBQOSA-N 0 0 382.851 5.067 50 0 GKAARN C[C@H](CNc1ncnc2c3ccccc3oc21)c1nc2ccccc2n1C(F)F ZINC000032855849 570855416 /nfs/dbraw/zinc/85/54/16/570855416.db2.gz URQRFEBCQWNHJF-GFCCVEGCSA-N 0 0 393.397 5.336 50 0 GKAARN CCOc1ccccc1Nc1nnc(SCc2c(F)cccc2Cl)s1 ZINC000003316450 570855452 /nfs/dbraw/zinc/85/54/52/570855452.db2.gz VGRZDHVBZOPSEU-UHFFFAOYSA-N 0 0 395.912 5.765 50 0 GKAARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000102608252 570855547 /nfs/dbraw/zinc/85/55/47/570855547.db2.gz 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570856903 /nfs/dbraw/zinc/85/69/03/570856903.db2.gz JSPBQFDYTACFKF-NYHFZMIOSA-N 0 0 382.423 5.090 50 0 GKAARN CSc1nc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2s1 ZINC000003328671 570857118 /nfs/dbraw/zinc/85/71/18/570857118.db2.gz BKXMYLCPYHVGIA-UHFFFAOYSA-N 0 0 382.432 5.218 50 0 GKAARN Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102645681 570857251 /nfs/dbraw/zinc/85/72/51/570857251.db2.gz JTYNSIVVWFLURM-JOCHJYFZSA-N 0 0 380.919 6.828 50 0 GKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000102644477 570857256 /nfs/dbraw/zinc/85/72/56/570857256.db2.gz ZNWIALKGDFCAFT-QHCPKHFHSA-N 0 0 392.474 6.028 50 0 GKAARN COc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004548041 570857390 /nfs/dbraw/zinc/85/73/90/570857390.db2.gz LLJVOKSVTINLIT-JOCHJYFZSA-N 0 0 397.305 6.358 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(Nc2ccc(F)cc2)s1 ZINC000014731057 570857463 /nfs/dbraw/zinc/85/74/63/570857463.db2.gz LARCYBRIGCPWMZ-UHFFFAOYSA-N 0 0 398.488 5.677 50 0 GKAARN COc1ccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000004548037 570857534 /nfs/dbraw/zinc/85/75/34/570857534.db2.gz LLJVOKSVTINLIT-QFIPXVFZSA-N 0 0 397.305 6.358 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@H]2c1cccs1 ZINC000102707818 570857709 /nfs/dbraw/zinc/85/77/09/570857709.db2.gz MSBDCDXZQYVOCH-NRFANRHFSA-N 0 0 392.524 5.951 50 0 GKAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12 ZINC000102681350 570858168 /nfs/dbraw/zinc/85/81/68/570858168.db2.gz OGZQQRQCXXGMRO-HJPURHCSSA-N 0 0 397.503 6.163 50 0 GKAARN CCCC1=Nc2cc(C(=O)NCCC(C)C)ccc2Sc2ccc(C)cc21 ZINC000004712617 570858256 /nfs/dbraw/zinc/85/82/56/570858256.db2.gz UERDXAKLYRPLPC-UHFFFAOYSA-N 0 0 380.557 6.156 50 0 GKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(F)c(Cl)c1 ZINC000102723456 570858618 /nfs/dbraw/zinc/85/86/18/570858618.db2.gz KRKAGJASURTATC-UHFFFAOYSA-N 0 0 385.851 5.369 50 0 GKAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccccc1Cl ZINC000102726624 570859033 /nfs/dbraw/zinc/85/90/33/570859033.db2.gz UQDGUKIEKHAGFS-UHFFFAOYSA-N 0 0 381.888 5.226 50 0 GKAARN O=C(OCc1nc2ccccc2n1C(F)F)C(c1ccccc1)c1ccccc1 ZINC000012556869 570859223 /nfs/dbraw/zinc/85/92/23/570859223.db2.gz BCZYSDYQVVMYNH-UHFFFAOYSA-N 0 0 392.405 5.307 50 0 GKAARN COc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000102732347 570859930 /nfs/dbraw/zinc/85/99/30/570859930.db2.gz IMLACQNCGRRCRH-OPAMFIHVSA-N 0 0 386.451 5.599 50 0 GKAARN Brc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1 ZINC000003351468 570860536 /nfs/dbraw/zinc/86/05/36/570860536.db2.gz XVGVDGVBUGPNEH-UHFFFAOYSA-N 0 0 392.347 5.205 50 0 GKAARN Cc1cc(C)c(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)c(C)c1 ZINC000065694983 570860701 /nfs/dbraw/zinc/86/07/01/570860701.db2.gz AHKDOLWJMVJKBK-UHFFFAOYSA-N 0 0 392.450 5.120 50 0 GKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3CC(C)C)cc1OC ZINC000102737084 570860750 /nfs/dbraw/zinc/86/07/50/570860750.db2.gz XHEVNCUYQHJIJW-HZPDHXFCSA-N 0 0 396.487 5.606 50 0 GKAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)cc2)cc1Cl ZINC000033252583 570860775 /nfs/dbraw/zinc/86/07/75/570860775.db2.gz UVBXYLVRKFKXEY-UHFFFAOYSA-N 0 0 396.853 5.582 50 0 GKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3CC(C)C)cc1OC ZINC000102737083 570860830 /nfs/dbraw/zinc/86/08/30/570860830.db2.gz XHEVNCUYQHJIJW-JKSUJKDBSA-N 0 0 396.487 5.606 50 0 GKAARN COc1ccc(Cl)cc1Nc1ncnc2c1c(C)c(C)n2-c1ccc(F)cc1 ZINC000033252576 570860996 /nfs/dbraw/zinc/86/09/96/570860996.db2.gz SBTXMWZSVUQVSJ-UHFFFAOYSA-N 0 0 396.853 5.582 50 0 GKAARN CCn1c(CCc2ccc(NC(=O)c3cccc(OC)c3)cc2)nc2ccccc21 ZINC000033252607 570861029 /nfs/dbraw/zinc/86/10/29/570861029.db2.gz WKABENQKSCGKJW-UHFFFAOYSA-N 0 0 399.494 5.102 50 0 GKAARN Cc1cccc(Nc2ccccc2C(=O)Nc2nc(C(C)(C)C)cs2)c1C ZINC000003357064 570861037 /nfs/dbraw/zinc/86/10/37/570861037.db2.gz WPZIBVCPSANEAE-UHFFFAOYSA-N 0 0 379.529 6.053 50 0 GKAARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012559655 570861528 /nfs/dbraw/zinc/86/15/28/570861528.db2.gz 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/nfs/dbraw/zinc/86/22/36/570862236.db2.gz YGSSVGJTIZTGCV-UHFFFAOYSA-N 0 0 399.903 5.013 50 0 GKAARN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCCC2)no1 ZINC000044086254 570862689 /nfs/dbraw/zinc/86/26/89/570862689.db2.gz ZBXZRLNAKIYOGV-UHFFFAOYSA-N 0 0 396.516 5.083 50 0 GKAARN CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088113 570862962 /nfs/dbraw/zinc/86/29/62/570862962.db2.gz ZLXIENYOUJUYPG-UHFFFAOYSA-N 0 0 376.428 5.261 50 0 GKAARN O=C(Cc1ccccc1Cl)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000170605871 570863341 /nfs/dbraw/zinc/86/33/41/570863341.db2.gz GTSQYZIOUMOCPX-HXUWFJFHSA-N 0 0 379.891 5.026 50 0 GKAARN COc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000044087049 570863488 /nfs/dbraw/zinc/86/34/88/570863488.db2.gz DYXLLRLIEVLEPX-UHFFFAOYSA-N 0 0 390.483 5.979 50 0 GKAARN Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(NCc3ccccc3)n2c1 ZINC000004720612 570863455 /nfs/dbraw/zinc/86/34/55/570863455.db2.gz JSIXQNRHCOMSGV-UHFFFAOYSA-N 0 0 381.401 5.941 50 0 GKAARN CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000033257162 570863771 /nfs/dbraw/zinc/86/37/71/570863771.db2.gz QMZOTVUUVHNCFG-UHFFFAOYSA-N 0 0 378.476 5.231 50 0 GKAARN CC(C)c1ccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)cc1 ZINC000033257423 570863990 /nfs/dbraw/zinc/86/39/90/570863990.db2.gz BOZHKDUHULQCMC-UHFFFAOYSA-N 0 0 376.460 5.772 50 0 GKAARN CSc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000003388515 570864413 /nfs/dbraw/zinc/86/44/13/570864413.db2.gz VXLCOEQTNRZHPX-FQEVSTJZSA-N 0 0 386.520 5.452 50 0 GKAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032869823 570864830 /nfs/dbraw/zinc/86/48/30/570864830.db2.gz CFFOHGJXICHFQY-UHFFFAOYSA-N 0 0 392.455 5.021 50 0 GKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000012560758 570864856 /nfs/dbraw/zinc/86/48/56/570864856.db2.gz ITOJFBWDFBYXFF-GASCZTMLSA-N 0 0 390.499 6.148 50 0 GKAARN Cc1ccc(-c2noc([C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1F ZINC000170606717 570864998 /nfs/dbraw/zinc/86/49/98/570864998.db2.gz QJCNJDJOCAIMIT-DYVFJYSZSA-N 0 0 376.790 5.222 50 0 GKAARN Cc1ccc(-c2noc([C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1F ZINC000170606716 570865176 /nfs/dbraw/zinc/86/51/76/570865176.db2.gz QJCNJDJOCAIMIT-SUMWQHHRSA-N 0 0 376.790 5.222 50 0 GKAARN CCOCc1c2ccccc2oc1C(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000003414269 570865557 /nfs/dbraw/zinc/86/55/57/570865557.db2.gz SYRPUAUXSDUWDJ-UHFFFAOYSA-N 0 0 385.891 6.000 50 0 GKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)Nc4ccccc4)c3)ncn2)c1 ZINC000033260931 570866004 /nfs/dbraw/zinc/86/60/04/570866004.db2.gz ZMRJIQIPPCDWMK-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033261117 570866685 /nfs/dbraw/zinc/86/66/85/570866685.db2.gz ULJDNIOTVHNBQP-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN C[C@H](Sc1nnc(-c2ccccc2Cl)o1)c1noc(-c2ccccc2)n1 ZINC000170610425 570866914 /nfs/dbraw/zinc/86/69/14/570866914.db2.gz XGFFXZFPJMQSGX-NSHDSACASA-N 0 0 384.848 5.293 50 0 GKAARN C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)c1noc(-c2ccccc2)n1 ZINC000170610426 570866970 /nfs/dbraw/zinc/86/69/70/570866970.db2.gz XGFFXZFPJMQSGX-LLVKDONJSA-N 0 0 384.848 5.293 50 0 GKAARN CCCCOc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1 ZINC000044165745 570867114 /nfs/dbraw/zinc/86/71/14/570867114.db2.gz TWHLWJLFADAMCM-UHFFFAOYSA-N 0 0 389.524 5.868 50 0 GKAARN O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccc(Cl)cc2)n1 ZINC000004551179 570867296 /nfs/dbraw/zinc/86/72/96/570867296.db2.gz OVFUBJGCQNTYKE-UHFFFAOYSA-N 0 0 389.263 5.967 50 0 GKAARN CCn1ccc(CN(C)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1 ZINC000170611354 570867806 /nfs/dbraw/zinc/86/78/06/570867806.db2.gz KRKCSRREDIFXJZ-UHFFFAOYSA-N 0 0 388.467 5.105 50 0 GKAARN O=C(c1ccc2ccccc2c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000003435385 570868467 /nfs/dbraw/zinc/86/84/67/570868467.db2.gz CZXTYZRLAYNMSV-IBGZPJMESA-N 0 0 388.492 5.275 50 0 GKAARN Clc1ccc(-c2csc3ncnc(N4CCc5ccccc5C4)c23)cc1 ZINC000003440213 570868875 /nfs/dbraw/zinc/86/88/75/570868875.db2.gz 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/nfs/dbraw/zinc/87/53/52/570875352.db2.gz BGRLNAABKZTWBX-UHFFFAOYSA-N 0 0 389.480 5.451 50 0 GKAARN C[C@@H]1CCCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)C1 ZINC000170618954 570876417 /nfs/dbraw/zinc/87/64/17/570876417.db2.gz AWRSWAYFWPCBSP-CQSZACIVSA-N 0 0 382.305 5.296 50 0 GKAARN Cc1oc(-c2cccc(F)c2F)nc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000015069610 570876668 /nfs/dbraw/zinc/87/66/68/570876668.db2.gz AWKPQQXJKLXJFZ-UHFFFAOYSA-N 0 0 396.359 5.579 50 0 GKAARN CCCOc1ccc(-c2ccc(-c3nc(-c4ccccc4Cl)no3)cc2)cc1 ZINC000003584836 570877420 /nfs/dbraw/zinc/87/74/20/570877420.db2.gz IPBPWBVWYSGBMF-UHFFFAOYSA-N 0 0 390.870 6.513 50 0 GKAARN CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000007543314 570877659 /nfs/dbraw/zinc/87/76/59/570877659.db2.gz FAXJHFSVLDPGLM-OAQYLSRUSA-N 0 0 395.506 5.168 50 0 GKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000007543324 570877673 /nfs/dbraw/zinc/87/76/73/570877673.db2.gz FAXJHFSVLDPGLM-NRFANRHFSA-N 0 0 395.506 5.168 50 0 GKAARN O=C(NC1(c2cccc(Cl)c2)CCC1)NC1(c2cccc(Cl)c2)CCC1 ZINC000003622447 570878172 /nfs/dbraw/zinc/87/81/72/570878172.db2.gz QKUBDNRWKJYYFF-UHFFFAOYSA-N 0 0 389.326 5.751 50 0 GKAARN Fc1ccc(-c2ccc(SCc3nc(-c4ccccc4Cl)no3)nn2)cc1 ZINC000033262505 570878507 /nfs/dbraw/zinc/87/85/07/570878507.db2.gz DZHJCWUXBCSNCK-UHFFFAOYSA-N 0 0 398.850 5.278 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)[C@H]1CCCOC1 ZINC000170620723 570878612 /nfs/dbraw/zinc/87/86/12/570878612.db2.gz NUHQGQFIRXNOGD-LBPRGKRZSA-N 0 0 383.341 5.002 50 0 GKAARN COc1ccc2oc([C@@H](C)NC(=O)Nc3ccc4c(c3)OC(C)(C)O4)c(C)c2c1 ZINC000170622291 570879743 /nfs/dbraw/zinc/87/97/43/570879743.db2.gz KFHSUPIEFKWZBQ-CYBMUJFWSA-N 0 0 396.443 5.140 50 0 GKAARN CN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc2ccccc2c1 ZINC000170622911 570880165 /nfs/dbraw/zinc/88/01/65/570880165.db2.gz FJBCQFCWBRJHPT-UHFFFAOYSA-N 0 0 397.356 5.185 50 0 GKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2)N3)C1 ZINC000004553450 570880155 /nfs/dbraw/zinc/88/01/55/570880155.db2.gz MJQOCFMRWDAOKL-KUHUBIRLSA-N 0 0 384.545 5.727 50 0 GKAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)cc2)cs1 ZINC000012586188 570881216 /nfs/dbraw/zinc/88/12/16/570881216.db2.gz FJVQJHWJRDUADM-ZDUSSCGKSA-N 0 0 385.920 5.519 50 0 GKAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)c1C ZINC000003655529 570881339 /nfs/dbraw/zinc/88/13/39/570881339.db2.gz KZIMIMMFEFPUQL-UHFFFAOYSA-N 0 0 399.446 5.298 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000003655374 570881428 /nfs/dbraw/zinc/88/14/28/570881428.db2.gz QFMQWKCTBBHUBH-UHFFFAOYSA-N 0 0 393.801 5.709 50 0 GKAARN C[C@@H]1CCCN(c2ccccc2OCc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000170623609 570881640 /nfs/dbraw/zinc/88/16/40/570881640.db2.gz IIVJLEXTSAHVHD-OAHLLOKOSA-N 0 0 383.879 5.205 50 0 GKAARN CC(C)(C)c1ncc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)s1 ZINC000170623561 570881740 /nfs/dbraw/zinc/88/17/40/570881740.db2.gz MJOBOBXQOIZISJ-UHFFFAOYSA-N 0 0 396.447 5.484 50 0 GKAARN CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SC(C)C)cc1 ZINC000003658767 570881773 /nfs/dbraw/zinc/88/17/73/570881773.db2.gz AOBKQVDRUJJUHC-UHFFFAOYSA-N 0 0 389.524 5.987 50 0 GKAARN CC[C@@H]1CCCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000003662504 570882207 /nfs/dbraw/zinc/88/22/07/570882207.db2.gz SLLVYVDIXLFMIR-LJQANCHMSA-N 0 0 379.610 6.010 50 0 GKAARN c1s/c(=N\c2ccccc2)n(Cc2ccc3c(c2)OCO3)c1-c1ccccc1 ZINC000015163145 570882989 /nfs/dbraw/zinc/88/29/89/570882989.db2.gz VKZKDMRJHDWGSI-VHXPQNKSSA-N 0 0 386.476 5.226 50 0 GKAARN Cc1nc(C)c(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)s1 ZINC000033264685 570883154 /nfs/dbraw/zinc/88/31/54/570883154.db2.gz MLDAVZAGGAUCFB-UHFFFAOYSA-N 0 0 393.497 5.186 50 0 GKAARN COc1ccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)cc1 ZINC000033264699 570883157 /nfs/dbraw/zinc/88/31/57/570883157.db2.gz CJBMEWBJONIHFP-UHFFFAOYSA-N 0 0 388.452 5.121 50 0 GKAARN COc1cccc(-c2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)c1 ZINC000033264700 570883187 /nfs/dbraw/zinc/88/31/87/570883187.db2.gz 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388.555 5.563 50 0 GKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc(C)c(F)c1 ZINC000004562993 570890138 /nfs/dbraw/zinc/89/01/38/570890138.db2.gz OOCRQWIZBOVKRB-UHFFFAOYSA-N 0 0 388.826 5.265 50 0 GKAARN CN(Cc1nc(-c2cccs2)no1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000032893579 570890655 /nfs/dbraw/zinc/89/06/55/570890655.db2.gz YOVYNEGZQMYLKA-HXUWFJFHSA-N 0 0 379.460 5.159 50 0 GKAARN COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1 ZINC000110243517 570890744 /nfs/dbraw/zinc/89/07/44/570890744.db2.gz CQJJITORTUQAOB-MSOLQXFVSA-N 0 0 397.478 5.289 50 0 GKAARN Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3Cl)cc2)cs1 ZINC000012614370 570890880 /nfs/dbraw/zinc/89/08/80/570890880.db2.gz PDHUHCRKZGWMPQ-UHFFFAOYSA-N 0 0 377.296 5.355 50 0 GKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccccc1F ZINC000004563775 570890984 /nfs/dbraw/zinc/89/09/84/570890984.db2.gz DUDYKFZHFSAMRM-UHFFFAOYSA-N 0 0 381.428 5.204 50 0 GKAARN CCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccc(C)c(C)c1 ZINC000004563609 570891055 /nfs/dbraw/zinc/89/10/55/570891055.db2.gz PQXGFZNQVIBPDS-UHFFFAOYSA-N 0 0 377.465 5.291 50 0 GKAARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000103970045 570891168 /nfs/dbraw/zinc/89/11/68/570891168.db2.gz XTAKUQJEZJMFRM-IQMFZBJNSA-N 0 0 390.483 6.516 50 0 GKAARN CCCC1CCC(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)CC1 ZINC000003583783 570891210 /nfs/dbraw/zinc/89/12/10/570891210.db2.gz FHALBWASIKGIHZ-UHFFFAOYSA-N 0 0 376.500 6.486 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000012617893 570891292 /nfs/dbraw/zinc/89/12/92/570891292.db2.gz CWRBPSKMGKHLDQ-UHFFFAOYSA-N 0 0 389.480 5.345 50 0 GKAARN CCc1ccc(NC(=O)[C@H](C)Sc2nccn2-c2cccc(Cl)c2)cc1 ZINC000012617124 570891307 /nfs/dbraw/zinc/89/13/07/570891307.db2.gz LCBGTKCFXCTOLR-AWEZNQCLSA-N 0 0 385.920 5.207 50 0 GKAARN CCCN(CCC)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000012618521 570891391 /nfs/dbraw/zinc/89/13/91/570891391.db2.gz NGVVUMAMUHRJTA-UHFFFAOYSA-N 0 0 383.497 7.131 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(CSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000010219529 570892695 /nfs/dbraw/zinc/89/26/95/570892695.db2.gz NFAPKHUTHXXYQY-UHFFFAOYSA-N 0 0 392.509 5.078 50 0 GKAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000004568725 570892788 /nfs/dbraw/zinc/89/27/88/570892788.db2.gz GJIHIWNOAVTARW-QGZVFWFLSA-N 0 0 382.851 5.067 50 0 GKAARN Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2)cc1 ZINC000015412446 570893854 /nfs/dbraw/zinc/89/38/54/570893854.db2.gz DIKOXQYKMXBQPB-RUZDIDTESA-N 0 0 398.506 5.041 50 0 GKAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C ZINC000013326529 570895429 /nfs/dbraw/zinc/89/54/29/570895429.db2.gz AOYOQWZLEJOUSM-UHFFFAOYSA-N 0 0 377.435 5.585 50 0 GKAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1 ZINC000013326535 570895445 /nfs/dbraw/zinc/89/54/45/570895445.db2.gz AAAGFADEANXSGU-UHFFFAOYSA-N 0 0 377.435 5.585 50 0 GKAARN S=C(Nc1ccn(Cc2ccccc2Cl)n1)Nc1ccccc1Cl ZINC000013330910 570895517 /nfs/dbraw/zinc/89/55/17/570895517.db2.gz 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/nfs/dbraw/zinc/92/67/20/570926720.db2.gz ZGACRQNMQKIVCC-UHFFFAOYSA-N 0 0 395.930 7.083 50 0 GKAARN Cc1ccc(C)c(Cn2cc(SCc3ccc(F)cc3)c3ccccc32)c1 ZINC000004059735 570926772 /nfs/dbraw/zinc/92/67/72/570926772.db2.gz QIYVOGSBOBINST-UHFFFAOYSA-N 0 0 375.512 6.738 50 0 GKAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)N1CCCCCC1 ZINC000004059631 570926792 /nfs/dbraw/zinc/92/67/92/570926792.db2.gz PTIKJGOTCLTWPS-UHFFFAOYSA-N 0 0 378.541 5.184 50 0 GKAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc2ccccc2n1 ZINC000004063003 570928102 /nfs/dbraw/zinc/92/81/02/570928102.db2.gz ZMMWAHWNVZFZLR-UHFFFAOYSA-N 0 0 382.448 5.159 50 0 GKAARN CCCCC1CCC(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)CC1 ZINC000004063006 570928132 /nfs/dbraw/zinc/92/81/32/570928132.db2.gz CHCAITIIWQNBLH-UHFFFAOYSA-N 0 0 393.556 6.293 50 0 GKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccccc2C)nn1 ZINC000017135903 570928453 /nfs/dbraw/zinc/92/84/53/570928453.db2.gz KQQKQRKEWZXUDF-UHFFFAOYSA-N 0 0 395.578 6.238 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(Cl)cc(Cl)c1 ZINC000004070257 570928658 /nfs/dbraw/zinc/92/86/58/570928658.db2.gz ADLDSXHYUJNMOR-UHFFFAOYSA-N 0 0 389.716 6.084 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl ZINC000004071562 570929140 /nfs/dbraw/zinc/92/91/40/570929140.db2.gz WRXYBVWLDHERCI-UHFFFAOYSA-N 0 0 380.321 6.092 50 0 GKAARN Cc1ccccc1-c1nnc(NC(=O)c2ccc(Cc3ccccc3)cc2)s1 ZINC000004072288 570929497 /nfs/dbraw/zinc/92/94/97/570929497.db2.gz QOGXYZMCQGNGFA-UHFFFAOYSA-N 0 0 385.492 5.357 50 0 GKAARN C[C@@H]1CCCN(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1 ZINC000016641700 570929931 /nfs/dbraw/zinc/92/99/31/570929931.db2.gz IBXOLVKBKXRLOH-OAHLLOKOSA-N 0 0 382.554 5.461 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000000862438 570929992 /nfs/dbraw/zinc/92/99/92/570929992.db2.gz LDKHZYSVRLLXBS-UHFFFAOYSA-N 0 0 380.447 5.665 50 0 GKAARN Cc1cc(O[C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)cc(C)c1Cl ZINC000000935640 570930498 /nfs/dbraw/zinc/93/04/98/570930498.db2.gz VORMKGAIZFKJBB-ZDUSSCGKSA-N 0 0 393.940 5.262 50 0 GKAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cl)nc2)cc1 ZINC000014866792 570930665 /nfs/dbraw/zinc/93/06/65/570930665.db2.gz JNLGKAFFZKOHMA-UHFFFAOYSA-N 0 0 389.238 5.442 50 0 GKAARN O=C(CCSc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004078593 570930756 /nfs/dbraw/zinc/93/07/56/570930756.db2.gz NYJVDLONASAVTM-UHFFFAOYSA-N 0 0 395.911 5.692 50 0 GKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001060344 570930782 /nfs/dbraw/zinc/93/07/82/570930782.db2.gz IKCKIBXBKIFQIF-UHFFFAOYSA-N 0 0 396.277 6.097 50 0 GKAARN COc1ccc(-n2c3c(c(=S)nc2-c2cccc(OC)c2)CCCC3)cc1 ZINC000001062573 570930920 /nfs/dbraw/zinc/93/09/20/570930920.db2.gz IIDVHQYDEWRQCD-UHFFFAOYSA-N 0 0 378.497 5.165 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(-c2ccccc2Cl)s1 ZINC000004079076 570931190 /nfs/dbraw/zinc/93/11/90/570931190.db2.gz FVLHVSFOSNLNMG-UHFFFAOYSA-N 0 0 387.936 5.404 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000004079034 570931198 /nfs/dbraw/zinc/93/11/98/570931198.db2.gz MJPFBKOYPOOFJI-UHFFFAOYSA-N 0 0 387.936 5.404 50 0 GKAARN O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000016709647 570931693 /nfs/dbraw/zinc/93/16/93/570931693.db2.gz ZDJJNYYJTYMXEW-HNNXBMFYSA-N 0 0 385.838 5.255 50 0 GKAARN Cc1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)cc1C(F)(F)F ZINC000012628559 570931763 /nfs/dbraw/zinc/93/17/63/570931763.db2.gz PQPVGPIHJQJTHH-LBPRGKRZSA-N 0 0 393.434 5.323 50 0 GKAARN O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000001122381 570931830 /nfs/dbraw/zinc/93/18/30/570931830.db2.gz FZVMVKBDBQRLQE-GZTJUZNOSA-N 0 0 399.830 5.568 50 0 GKAARN CCCCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000001787246 570932208 /nfs/dbraw/zinc/93/22/08/570932208.db2.gz CMAUFXJRSLGXGQ-IBGZPJMESA-N 0 0 389.495 5.939 50 0 GKAARN Cc1cc(OCCCC(=O)Nc2nnc(C3CCCCC3)s2)ccc1Cl ZINC000001787195 570932292 /nfs/dbraw/zinc/93/22/92/570932292.db2.gz ZSKRMFIOSPKBRQ-UHFFFAOYSA-N 0 0 393.940 5.345 50 0 GKAARN CCCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c2ccccc12 ZINC000001925612 570932760 /nfs/dbraw/zinc/93/27/60/570932760.db2.gz VYRBDJUXFVXZKV-UHFFFAOYSA-N 0 0 389.904 5.391 50 0 GKAARN Cc1ccc(OCCCOc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000001791543 570932779 /nfs/dbraw/zinc/93/27/79/570932779.db2.gz DKHRTOOORQJFKS-UHFFFAOYSA-N 0 0 375.468 5.404 50 0 GKAARN O=C1OC(c2cccs2)=N/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000002821813 570933235 /nfs/dbraw/zinc/93/32/35/570933235.db2.gz RVFVWXXUANAJEI-CPNJWEJPSA-N 0 0 384.460 5.096 50 0 GKAARN O=C(COc1ccccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002869471 570933754 /nfs/dbraw/zinc/93/37/54/570933754.db2.gz DXZXTEWVKPBMGN-UHFFFAOYSA-N 0 0 397.702 5.395 50 0 GKAARN C/C=C/c1ccc(OCCCCOc2cccc3ccc(C)nc32)c(OC)c1 ZINC000002824869 570933768 /nfs/dbraw/zinc/93/37/68/570933768.db2.gz NVEJWIFDPKLLOW-XBXARRHUSA-N 0 0 377.484 5.823 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000002875772 570933813 /nfs/dbraw/zinc/93/38/13/570933813.db2.gz LFSUQRGDEOBPOS-UHFFFAOYSA-N 0 0 381.394 5.535 50 0 GKAARN CCCOc1c(Cl)cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OCC ZINC000002081276 570934726 /nfs/dbraw/zinc/93/47/26/570934726.db2.gz LRAPVMVSFICZDY-PDGQHHTCSA-N 0 0 399.874 5.180 50 0 GKAARN Cc1cc(C)cc(OC[C@@H](O)Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC000016903719 570934778 /nfs/dbraw/zinc/93/47/78/570934778.db2.gz KHCKEYPONCQUPM-FQEVSTJZSA-N 0 0 378.516 5.141 50 0 GKAARN O=C(CCCSCc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000010616405 570936693 /nfs/dbraw/zinc/93/66/93/570936693.db2.gz HPBKWYZKKQDPIQ-UHFFFAOYSA-N 0 0 394.565 5.561 50 0 GKAARN CCc1ccccc1-n1nc(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1 ZINC000017078500 570939963 /nfs/dbraw/zinc/93/99/63/570939963.db2.gz NBYQZISBSAOFKP-UHFFFAOYSA-N 0 0 384.479 5.786 50 0 GKAARN CCn1c(COc2ccc(C)c(C)c2)nnc1SCc1cccc(Cl)c1 ZINC000017079205 570940062 /nfs/dbraw/zinc/94/00/62/570940062.db2.gz QVOJVTSBTZGMJO-UHFFFAOYSA-N 0 0 387.936 5.440 50 0 GKAARN Cn1nc(-c2cccc(Br)c2)cc1-c1cccc(Br)c1 ZINC000017080056 570940884 /nfs/dbraw/zinc/94/08/84/570940884.db2.gz UHALRHBOEXWVMJ-UHFFFAOYSA-N 0 0 392.094 5.279 50 0 GKAARN CC(C)[C@H](CCN(C[C@@H]1CCOC(C)(C)C1)C(=O)c1ccco1)c1ccco1 ZINC000002094197 570940992 /nfs/dbraw/zinc/94/09/92/570940992.db2.gz HRBJKSOWVORBJP-MOPGFXCFSA-N 0 0 387.520 5.350 50 0 biogenic GKAARN C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)cc1 ZINC000017081051 570941243 /nfs/dbraw/zinc/94/12/43/570941243.db2.gz HHOCJJKEASHPTQ-UHFFFAOYSA-N 0 0 396.490 5.926 50 0 GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cccc(C)c4)c(C)c3cc12 ZINC000002095483 570941319 /nfs/dbraw/zinc/94/13/19/570941319.db2.gz BOXYWKXFQQTSPE-UHFFFAOYSA-N 0 0 375.424 5.036 50 0 biogenic GKAARN Cc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2n1-c1ccccc1 ZINC000017144134 570942194 /nfs/dbraw/zinc/94/21/94/570942194.db2.gz SWUJVPZZLUAHSV-UHFFFAOYSA-N 0 0 376.847 5.631 50 0 GKAARN O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccccc1Oc1ccccc1 ZINC000017198335 570943193 /nfs/dbraw/zinc/94/31/93/570943193.db2.gz QVIYZNPVTMTEQX-OAQYLSRUSA-N 0 0 381.884 5.911 50 0 GKAARN COc1cc([C@@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1OC ZINC000033271095 570947119 /nfs/dbraw/zinc/94/71/19/570947119.db2.gz RYMNAUIVIVWUDV-AGRHKRQWSA-N 0 0 377.843 5.131 50 0 GKAARN Clc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1Cl ZINC000001805369 570947137 /nfs/dbraw/zinc/94/71/37/570947137.db2.gz KGKYQEZICXBNRZ-UHFFFAOYSA-N 0 0 399.393 6.430 50 0 GKAARN CCn1c(SCc2cccc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000002264212 570947145 /nfs/dbraw/zinc/94/71/45/570947145.db2.gz RXIBFCKYNSBYQY-UHFFFAOYSA-N 0 0 380.538 5.540 50 0 GKAARN CCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C)cc21 ZINC000002308180 570947152 /nfs/dbraw/zinc/94/71/52/570947152.db2.gz MSHDAZNZOVKZAN-UHFFFAOYSA-N 0 0 377.484 5.956 50 0 GKAARN CCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21 ZINC000002324326 570947159 /nfs/dbraw/zinc/94/71/59/570947159.db2.gz CLVXVFPNPKJFSW-UHFFFAOYSA-N 0 0 397.902 6.301 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1sc2cccc(Cl)c2c1Cl ZINC000002088798 570947192 /nfs/dbraw/zinc/94/71/92/570947192.db2.gz KUXGAGOFPMZGLG-UHFFFAOYSA-N 0 0 391.106 6.767 50 0 GKAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1cc(Br)ccc1OC)N2 ZINC000033271175 570947318 /nfs/dbraw/zinc/94/73/18/570947318.db2.gz GJWLSGOCSJAGKJ-KPOBHBOGSA-N 0 0 388.305 5.265 50 0 GKAARN Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C/C=C/c1ccco1)C2 ZINC000014878884 570947645 /nfs/dbraw/zinc/94/76/45/570947645.db2.gz ZQLPNDLLHFVEQM-QHHAFSJGSA-N 0 0 381.859 5.213 50 0 GKAARN COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(C)cc2)ccc1O ZINC000004735116 570948789 /nfs/dbraw/zinc/94/87/89/570948789.db2.gz KQCLOAXLBQGUGF-UHFFFAOYSA-N 0 0 379.847 5.421 50 0 GKAARN Cc1cc(NC2=NC(=O)C(=Cc3ccc(Br)o3)S2)ccc1Cl ZINC000000641955 570949034 /nfs/dbraw/zinc/94/90/34/570949034.db2.gz BJGCVQOBRVGHAW-GHXNOFRVSA-N 0 0 397.681 5.086 50 0 GKAARN C[C@H](Cn1ccnc1)C(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000638735 570949072 /nfs/dbraw/zinc/94/90/72/570949072.db2.gz SHHHPGCBAJDAIJ-CQSZACIVSA-N 0 0 389.282 5.288 50 0 GKAARN Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)c1 ZINC000017986801 570949569 /nfs/dbraw/zinc/94/95/69/570949569.db2.gz VEKPZUHOSGVOGN-LXBDKUERSA-N 0 0 389.495 5.612 50 0 GKAARN Clc1ccc(Nc2c(-c3cccc(Cl)c3)nc3ccc(Cl)cn32)cc1 ZINC000004733490 570949553 /nfs/dbraw/zinc/94/95/53/570949553.db2.gz SNVHBOFMHZYATO-UHFFFAOYSA-N 0 0 388.685 6.705 50 0 GKAARN c1ccc(-c2nc3sc4c(ncnc4N4CCCCC4)c3c3c2CCC3)cc1 ZINC000001242496 570949738 /nfs/dbraw/zinc/94/97/38/570949738.db2.gz QYOHJONDLRZKRL-UHFFFAOYSA-N 0 0 386.524 5.386 50 0 GKAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 ZINC000001248385 570950127 /nfs/dbraw/zinc/95/01/27/570950127.db2.gz PSXMHVMPISZZMU-UHFFFAOYSA-N 0 0 388.583 5.127 50 0 GKAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C)oc2c3CCCC2)c(C)c1 ZINC000004735803 570950323 /nfs/dbraw/zinc/95/03/23/570950323.db2.gz KYRAMNFQNCQKJQ-UHFFFAOYSA-N 0 0 383.513 5.346 50 0 GKAARN COc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000727328 570950556 /nfs/dbraw/zinc/95/05/56/570950556.db2.gz MZKCOSREQLCKPU-GFJWLWTISA-N 0 0 389.436 5.347 50 0 GKAARN CCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 ZINC000002111632 570950815 /nfs/dbraw/zinc/95/08/15/570950815.db2.gz WBUNCJMJVUKJJP-SWDTZWKESA-N 0 0 376.500 5.343 50 0 biogenic GKAARN Cc1ccccc1-c1nc(C(=O)NCc2cccnc2)cc2c3ccccc3[nH]c21 ZINC000002114135 570950965 /nfs/dbraw/zinc/95/09/65/570950965.db2.gz WJGWCVKZFMBALZ-UHFFFAOYSA-N 0 0 392.462 5.017 50 0 biogenic GKAARN Cn1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c2ccccc21 ZINC000004107135 570951229 /nfs/dbraw/zinc/95/12/29/570951229.db2.gz WHXNQHWKACLIJK-RBZFPXEDSA-N 0 0 393.556 5.245 50 0 GKAARN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl ZINC000001261915 570951366 /nfs/dbraw/zinc/95/13/66/570951366.db2.gz NORSSZJCHJLKTF-UHFFFAOYSA-N 0 0 396.657 6.168 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c12 ZINC000020615293 570951973 /nfs/dbraw/zinc/95/19/73/570951973.db2.gz UQVFKKMLFGQNNA-UHFFFAOYSA-N 0 0 377.438 6.009 50 0 GKAARN O=C1c2ccccc2C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000988658 570953102 /nfs/dbraw/zinc/95/31/02/570953102.db2.gz CUDNZVJKZIBQJZ-UHFFFAOYSA-N 0 0 376.415 5.002 50 0 GKAARN Cc1sc2c3c([nH]c2c1C(=O)Nc1ccc(F)cc1Cl)CCCCC3 ZINC000033280560 570954259 /nfs/dbraw/zinc/95/42/59/570954259.db2.gz VRNCEFMMGKILMM-UHFFFAOYSA-N 0 0 376.884 5.852 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=S)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000003061691 570954461 /nfs/dbraw/zinc/95/44/61/570954461.db2.gz FXQVDMUMGQRSRF-MRXNPFEDSA-N 0 0 394.899 5.030 50 0 GKAARN Cn1c2ccccc2c2c1C[C@H]1CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@]1(C)C2 ZINC000252426662 570955154 /nfs/dbraw/zinc/95/51/54/570955154.db2.gz JNRQIXNKBLHYOI-AVWKAGDGSA-N 0 0 375.556 5.705 50 0 GKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2c(C)cccc2C(C)C)CO1 ZINC000002121213 570955975 /nfs/dbraw/zinc/95/59/75/570955975.db2.gz BIVDWCZZSNOFTD-UHFFFAOYSA-N 0 0 391.511 5.924 50 0 biogenic GKAARN COc1ccc(-c2cc(NC(=O)c3cccc4cccnc43)ccc2OC)cc1 ZINC000012035333 570956079 /nfs/dbraw/zinc/95/60/79/570956079.db2.gz TWUUMBHQEPNXIP-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN Cc1ccccc1[C@@H]1c2ccccc2O[C@]2(c3cccs3)[C@H]1C2(Cl)Cl ZINC000001293998 570956185 /nfs/dbraw/zinc/95/61/85/570956185.db2.gz YHLYFFGLDDNVQW-HSALFYBXSA-N 0 0 387.331 6.280 50 0 GKAARN CCCC(=O)Nc1ccccc1Sc1ncnc2sc3c(c21)CCCC3 ZINC000001295166 570956197 /nfs/dbraw/zinc/95/61/97/570956197.db2.gz ZLOKVGULCBKQSH-UHFFFAOYSA-N 0 0 383.542 5.460 50 0 GKAARN CCCCCC1CCC(c2ccc(C(=O)Nc3nnc(CC)s3)cc2)CC1 ZINC000004742117 570956405 /nfs/dbraw/zinc/95/64/05/570956405.db2.gz UODWVCKVGPCWNR-UHFFFAOYSA-N 0 0 385.577 6.207 50 0 GKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccccc1Cl ZINC000033282140 570957303 /nfs/dbraw/zinc/95/73/03/570957303.db2.gz RPXVOBOJAWMIHO-UHFFFAOYSA-N 0 0 381.884 6.053 50 0 GKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1cccc(Cl)c1 ZINC000033282136 570957358 /nfs/dbraw/zinc/95/73/58/570957358.db2.gz MTVHYCXLEPOWHY-UHFFFAOYSA-N 0 0 381.884 6.053 50 0 GKAARN COc1ccccc1CNC(=O)c1c(C)sc2cc(-c3ccccc3)oc21 ZINC000033282154 570957482 /nfs/dbraw/zinc/95/74/82/570957482.db2.gz QIWSBGHOCDKOLZ-UHFFFAOYSA-N 0 0 377.465 5.408 50 0 GKAARN CCOc1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000012062731 570957639 /nfs/dbraw/zinc/95/76/39/570957639.db2.gz QKYJQFIQRIADSI-UHFFFAOYSA-N 0 0 399.859 5.256 50 0 GKAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000012067186 570957701 /nfs/dbraw/zinc/95/77/01/570957701.db2.gz YIXMKRXRXPYVOL-UHFFFAOYSA-N 0 0 382.467 5.203 50 0 GKAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000012062992 570957702 /nfs/dbraw/zinc/95/77/02/570957702.db2.gz ZCCUREDDVFCKAT-UHFFFAOYSA-N 0 0 391.427 5.141 50 0 GKAARN CSc1ccc(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)cc1 ZINC000033282173 570957789 /nfs/dbraw/zinc/95/77/89/570957789.db2.gz NRSBDVCNCWQWRR-UHFFFAOYSA-N 0 0 393.533 6.122 50 0 GKAARN CC(C)OC(=O)c1ccc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000033283064 570957887 /nfs/dbraw/zinc/95/78/87/570957887.db2.gz IZIFENBVNPCNGT-POHAHGRESA-N 0 0 378.255 5.211 50 0 GKAARN COc1cccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccccc32)c1 ZINC000001322440 570958199 /nfs/dbraw/zinc/95/81/99/570958199.db2.gz JDKZDNUNIRFCSR-LKUDQCMESA-N 0 0 387.435 5.358 50 0 biogenic GKAARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1sccc1-c1ccccc1 ZINC000012108645 570958662 /nfs/dbraw/zinc/95/86/62/570958662.db2.gz ZRQOTFLZROTNIA-OUKQBFOZSA-N 0 0 382.488 6.233 50 0 GKAARN COc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccccc32)cc1 ZINC000001322774 570958697 /nfs/dbraw/zinc/95/86/97/570958697.db2.gz PXRNPWUPRAQZMS-LKUDQCMESA-N 0 0 387.435 5.358 50 0 biogenic GKAARN Cc1ccc(S(=O)(=O)/C(=C/N(C)c2ccccc2C)c2ccccc2)cc1 ZINC000033291172 570959145 /nfs/dbraw/zinc/95/91/45/570959145.db2.gz HRBQLOILJMEVGX-HAVVHWLPSA-N 0 0 377.509 5.212 50 0 GKAARN O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000012691120 570959157 /nfs/dbraw/zinc/95/91/57/570959157.db2.gz TXOKVIYLPPXAIA-LJQANCHMSA-N 0 0 387.813 5.461 50 0 GKAARN Cc1nc([C@@H](C)N(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)c(C)s1 ZINC000012111918 570959197 /nfs/dbraw/zinc/95/91/97/570959197.db2.gz BFUYIHJBFUQXJJ-CYBMUJFWSA-N 0 0 397.544 5.782 50 0 GKAARN C[C@@](CC(=O)Nc1nccs1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032103937 570960441 /nfs/dbraw/zinc/96/04/41/570960441.db2.gz OLPGFWDIRNLYCD-KRWDZBQOSA-N 0 0 396.459 5.558 50 0 GKAARN CC(=O)N(CC[C@](C)(c1cccs1)c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000032104252 570960555 /nfs/dbraw/zinc/96/05/55/570960555.db2.gz TUSDISOFGSIDFM-REWPJTCUSA-N 0 0 385.573 5.250 50 0 GKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)s2)sc1C ZINC000033290100 570960707 /nfs/dbraw/zinc/96/07/07/570960707.db2.gz MXIVONAIVVZCNH-UHFFFAOYSA-N 0 0 398.962 5.251 50 0 GKAARN Cc1csc(-c2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)c(C)s2)n1 ZINC000033289980 570960802 /nfs/dbraw/zinc/96/08/02/570960802.db2.gz CMJKVFIAXCEYKL-UHFFFAOYSA-N 0 0 392.571 5.215 50 0 GKAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000033290127 570960814 /nfs/dbraw/zinc/96/08/14/570960814.db2.gz ZOILKCXUJQGSOX-UHFFFAOYSA-N 0 0 396.534 5.243 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc4cc(C)ccc4n3C)ccc21 ZINC000004749266 570961232 /nfs/dbraw/zinc/96/12/32/570961232.db2.gz PBLSFTUEYMUXMV-UHFFFAOYSA-N 0 0 381.479 5.867 50 0 GKAARN CCn1c2ccc3ccccc3c2s/c1=N/C(=O)c1nc2ccccc2s1 ZINC000012180916 570961789 /nfs/dbraw/zinc/96/17/89/570961789.db2.gz ZJYLTOIHLNWXQI-XTQSDGFTSA-N 0 0 389.505 5.227 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000004134700 570961802 /nfs/dbraw/zinc/96/18/02/570961802.db2.gz PKVSOQLCEZVICH-UHFFFAOYSA-N 0 0 382.250 5.789 50 0 GKAARN CSc1nc2ccc3nc(NC(=O)c4ccccc4Cl)sc3c2s1 ZINC000004134747 570961807 /nfs/dbraw/zinc/96/18/07/570961807.db2.gz KPLTXTZCBMJZRD-UHFFFAOYSA-N 0 0 391.930 5.534 50 0 GKAARN COc1cccc(-c2csc(Cc3nc(-c4cccc(Cl)c4)no3)n2)c1 ZINC000033298185 570962171 /nfs/dbraw/zinc/96/21/71/570962171.db2.gz DCCIVNNSUVMONN-UHFFFAOYSA-N 0 0 383.860 5.113 50 0 GKAARN CCOc1ccc(-c2noc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000033298206 570962423 /nfs/dbraw/zinc/96/24/23/570962423.db2.gz JBJCPTVMRNKDPE-UHFFFAOYSA-N 0 0 397.887 5.503 50 0 GKAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000001024864 570963575 /nfs/dbraw/zinc/96/35/75/570963575.db2.gz FPBVXTPQOMYESI-UHFFFAOYSA-N 0 0 398.595 5.683 50 0 GKAARN COc1ccc(-c2nc(NC(=O)Cc3ccc(SC)cc3)sc2C)cc1 ZINC000007597721 570963644 /nfs/dbraw/zinc/96/36/44/570963644.db2.gz LACOHINABKOLRW-UHFFFAOYSA-N 0 0 384.526 5.030 50 0 GKAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C)c2)cc1 ZINC000004144477 570963782 /nfs/dbraw/zinc/96/37/82/570963782.db2.gz INRYEIBUHUOOFN-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN Cc1cccc(-n2c(SCc3c(F)cccc3F)nnc2-c2ccco2)c1 ZINC000004144486 570963837 /nfs/dbraw/zinc/96/38/37/570963837.db2.gz ZNACOSFWAFKWEN-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN CCSc1ccc(CC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000007597764 570964087 /nfs/dbraw/zinc/96/40/87/570964087.db2.gz ZPHBQVBZBAPVAF-UHFFFAOYSA-N 0 0 380.538 5.202 50 0 GKAARN Cc1cccc(-n2c(SCc3c(F)cccc3Cl)nnc2-c2ccco2)c1 ZINC000004144495 570964361 /nfs/dbraw/zinc/96/43/61/570964361.db2.gz QDMIIXZZPLEACE-UHFFFAOYSA-N 0 0 399.878 5.921 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl ZINC000002142491 570964807 /nfs/dbraw/zinc/96/48/07/570964807.db2.gz OUMBVHQIWMEVCC-UHFFFAOYSA-N 0 0 384.477 6.598 50 0 GKAARN CCc1ccc(-c2ccc(C(=O)Nc3ccccc3CN(CC)C(C)=O)o2)cc1 ZINC000170643197 570964940 /nfs/dbraw/zinc/96/49/40/570964940.db2.gz JVMPAWVJIFHKOI-UHFFFAOYSA-N 0 0 390.483 5.130 50 0 GKAARN COc1ccc2c(ccc3c(C(C)=O)cc(C(=O)c4ccc(Cl)cc4)n32)c1 ZINC000002544900 570965737 /nfs/dbraw/zinc/96/57/37/570965737.db2.gz HWFFKRFKFPGWSX-UHFFFAOYSA-N 0 0 377.827 5.188 50 0 GKAARN O=C(OCc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000003069151 570966669 /nfs/dbraw/zinc/96/66/69/570966669.db2.gz DKLGNOVUCLIDFA-UHFFFAOYSA-N 0 0 384.473 6.311 50 0 GKAARN COc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)cc1OC ZINC000004755302 570966830 /nfs/dbraw/zinc/96/68/30/570966830.db2.gz LXMCYVDYIIKELM-UHFFFAOYSA-N 0 0 393.874 5.284 50 0 GKAARN CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3C)c(C)s2)cs1 ZINC000033308443 570968039 /nfs/dbraw/zinc/96/80/39/570968039.db2.gz QKBKWZKWFXAPAB-UHFFFAOYSA-N 0 0 392.571 5.160 50 0 GKAARN CCOc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(C)n1 ZINC000012225829 570968086 /nfs/dbraw/zinc/96/80/86/570968086.db2.gz JAFYQOJVXYDRGA-UHFFFAOYSA-N 0 0 397.866 5.225 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 ZINC000012226051 570968181 /nfs/dbraw/zinc/96/81/81/570968181.db2.gz WNFASQSWNUOBEW-UHFFFAOYSA-N 0 0 391.475 5.268 50 0 GKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc2ccccc21 ZINC000011326489 570968323 /nfs/dbraw/zinc/96/83/23/570968323.db2.gz IHCJDZZNYWESNY-UHFFFAOYSA-N 0 0 376.843 5.720 50 0 GKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 ZINC000106937359 570969494 /nfs/dbraw/zinc/96/94/94/570969494.db2.gz LBVNYRKGLOLHGR-RBBKRZOGSA-N 0 0 396.824 5.861 50 0 GKAARN COc1ccc(NCc2nc3ccccc3n2CCOc2ccc(C)cc2)cc1 ZINC000004761760 570969634 /nfs/dbraw/zinc/96/96/34/570969634.db2.gz MYKKQUWOSVUDEY-UHFFFAOYSA-N 0 0 387.483 5.044 50 0 GKAARN CCC[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000106937211 570969616 /nfs/dbraw/zinc/96/96/16/570969616.db2.gz LNQQCNSXLSORBH-MOPGFXCFSA-N 0 0 375.299 5.972 50 0 GKAARN Fc1ccc(Oc2cc(N3CCC(Cc4ccccc4)CC3)ncn2)c(F)c1 ZINC000037377740 570969785 /nfs/dbraw/zinc/96/97/85/570969785.db2.gz POELZTYUKYYBDT-UHFFFAOYSA-N 0 0 381.426 5.006 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@H](c2ccccc2)CC1 ZINC000211142164 570970593 /nfs/dbraw/zinc/97/05/93/570970593.db2.gz KRKQEKWTHVXWIK-SFHVURJKSA-N 0 0 396.339 5.079 50 0 GKAARN CCCCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1cccc(OC)c1 ZINC000002146207 570971193 /nfs/dbraw/zinc/97/11/93/570971193.db2.gz SPXOJKPVFGXLFI-UHFFFAOYSA-N 0 0 390.479 6.646 50 0 biogenic GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000033312240 570971170 /nfs/dbraw/zinc/97/11/70/570971170.db2.gz MJKVPZNRYLYRDP-UHFFFAOYSA-N 0 0 397.500 5.027 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(Cl)cc2F)s1 ZINC000033312258 570971268 /nfs/dbraw/zinc/97/12/68/570971268.db2.gz SSFLBSGTTTZDQF-UHFFFAOYSA-N 0 0 389.883 5.802 50 0 GKAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccccc1C(C)C ZINC000033312558 570971554 /nfs/dbraw/zinc/97/15/54/570971554.db2.gz JTZFCEQDGMJDPP-UHFFFAOYSA-N 0 0 394.544 5.366 50 0 GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)c(F)c4)c(C)c3cc12 ZINC000002147726 570971781 /nfs/dbraw/zinc/97/17/81/570971781.db2.gz NWCVKFVQKZKKMX-UHFFFAOYSA-N 0 0 393.414 5.175 50 0 biogenic GKAARN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1c(C(=O)OC)cc2ccsc21 ZINC000033315111 570972596 /nfs/dbraw/zinc/97/25/96/570972596.db2.gz KJPMCSRDIKUCCZ-OAHLLOKOSA-N 0 0 390.892 5.041 50 0 GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cccc(Cl)c4)c(C)c3cc12 ZINC000002150746 570972659 /nfs/dbraw/zinc/97/26/59/570972659.db2.gz GOSDXYDJAFLOHB-UHFFFAOYSA-N 0 0 395.842 5.381 50 0 biogenic GKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccs1 ZINC000004767984 570972777 /nfs/dbraw/zinc/97/27/77/570972777.db2.gz KXOVMTKEYXKVGT-IBGZPJMESA-N 0 0 381.501 5.120 50 0 GKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000045942567 570973268 /nfs/dbraw/zinc/97/32/68/570973268.db2.gz ZIZYXLPYAPGLCE-DEOSSOPVSA-N 0 0 399.490 5.623 50 0 GKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1cccs1 ZINC000002156735 570973800 /nfs/dbraw/zinc/97/38/00/570973800.db2.gz YGXGUKLXHMRBFR-LJQANCHMSA-N 0 0 383.513 5.311 50 0 biogenic GKAARN O=C(N1CCS[C@H](c2ccccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000208045520 570974390 /nfs/dbraw/zinc/97/43/90/570974390.db2.gz FNUPNQOFIZMIKO-FQYNAJQUSA-N 0 0 389.992 5.563 50 0 GKAARN COc1ccccc1/C=C/C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019322197 570974410 /nfs/dbraw/zinc/97/44/10/570974410.db2.gz REWSNFZIGXBLFO-WUKNDPDISA-N 0 0 384.523 5.053 50 0 GKAARN O=C(N1CCS[C@@H](c2ccccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000208045564 570974500 /nfs/dbraw/zinc/97/45/00/570974500.db2.gz FNUPNQOFIZMIKO-ILYDUKKLSA-N 0 0 389.992 5.563 50 0 GKAARN CC(=O)O[C@@H](c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1)c1ccccc1 ZINC000001385480 570975097 /nfs/dbraw/zinc/97/50/97/570975097.db2.gz FTWMMIZVTUBELZ-QGZVFWFLSA-N 0 0 396.752 5.061 50 0 GKAARN Cc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1F ZINC000085808025 570976361 /nfs/dbraw/zinc/97/63/61/570976361.db2.gz MHGGCMWHIXXQRK-UHFFFAOYSA-N 0 0 393.849 6.580 50 0 GKAARN CCc1ccc([C@@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc(F)cc2)cc1 ZINC000004770799 570976385 /nfs/dbraw/zinc/97/63/85/570976385.db2.gz ISLRUKGHKCIZAQ-OAQYLSRUSA-N 0 0 391.442 5.543 50 0 GKAARN COC(=O)Nc1ccc(NC(=O)c2cc3sc4ccccc4c3s2)cc1 ZINC000083891479 570976805 /nfs/dbraw/zinc/97/68/05/570976805.db2.gz NQHDJVQIFLLIMB-UHFFFAOYSA-N 0 0 382.466 5.547 50 0 GKAARN C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000012733939 570977692 /nfs/dbraw/zinc/97/76/92/570977692.db2.gz DYTIKBAWJLREMS-JTQLQIEISA-N 0 0 397.352 5.598 50 0 GKAARN Cc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1 ZINC000001392033 570977960 /nfs/dbraw/zinc/97/79/60/570977960.db2.gz DXJCNEPTBOKQSE-UHFFFAOYSA-N 0 0 388.294 5.399 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1Cl ZINC000012736215 570978424 /nfs/dbraw/zinc/97/84/24/570978424.db2.gz NHKXXUGCYPETBV-UHFFFAOYSA-N 0 0 392.842 5.175 50 0 GKAARN COc1ccc(CCC(=O)N[C@@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1 ZINC000252506270 570978533 /nfs/dbraw/zinc/97/85/33/570978533.db2.gz VXZWMOSDDNVUKF-HSZRJFAPSA-N 0 0 393.531 5.072 50 0 GKAARN Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c(C)c1 ZINC000044837259 570978829 /nfs/dbraw/zinc/97/88/29/570978829.db2.gz HKOVRZNPDBANFP-UHFFFAOYSA-N 0 0 384.277 5.017 50 0 GKAARN Cc1cc(C)c(C2=C(OC(=O)N(C)c3ccccc3)c3ccccc3C2=O)c(C)c1 ZINC000004655766 570978882 /nfs/dbraw/zinc/97/88/82/570978882.db2.gz GWJPADYXIXKSEZ-UHFFFAOYSA-N 0 0 397.474 5.949 50 0 GKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838303 570978985 /nfs/dbraw/zinc/97/89/85/570978985.db2.gz IGFSZDKZMYYQSX-UHFFFAOYSA-N 0 0 391.858 5.453 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H]1C(C)=C(C)C(=O)N1CCc1ccc(Cl)cc1 ZINC000004775470 570978946 /nfs/dbraw/zinc/97/89/46/570978946.db2.gz ZIQXKWHSPXMYBE-JOCHJYFZSA-N 0 0 378.903 5.592 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838156 570979057 /nfs/dbraw/zinc/97/90/57/570979057.db2.gz GFCAVYISYAUDAG-UHFFFAOYSA-N 0 0 382.250 5.789 50 0 GKAARN C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc2ccccc21 ZINC000019358378 570979672 /nfs/dbraw/zinc/97/96/72/570979672.db2.gz PNPMLXRAMHNKQE-CQSZACIVSA-N 0 0 378.522 5.445 50 0 GKAARN COc1ccccc1[C@H]1CC(c2ccsc2)=NN1C(=O)c1cccc(Cl)c1 ZINC000252509276 570979730 /nfs/dbraw/zinc/97/97/30/570979730.db2.gz YJDHAGXXDMDFEW-LJQANCHMSA-N 0 0 396.899 5.402 50 0 GKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(C)n1 ZINC000012225979 570980049 /nfs/dbraw/zinc/98/00/49/570980049.db2.gz GBMBCVGVJADERQ-UHFFFAOYSA-N 0 0 395.438 5.101 50 0 GKAARN O=C(c1cnc(Nc2ccc(Cl)c(Cl)c2)s1)c1ccc(Cl)cc1 ZINC000001399984 570980541 /nfs/dbraw/zinc/98/05/41/570980541.db2.gz SRCAGKOHMZSOCY-UHFFFAOYSA-N 0 0 383.687 6.078 50 0 GKAARN Cc1ccc(-c2nc3ncccc3n2OCc2cccc(C(F)(F)F)c2)cc1 ZINC000001400182 570981517 /nfs/dbraw/zinc/98/15/17/570981517.db2.gz 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CCOc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1 ZINC000045925333 571002167 /nfs/dbraw/zinc/00/21/67/571002167.db2.gz ZUUSZGZODABULZ-UHFFFAOYSA-N 0 0 379.460 5.226 50 0 GKAARN CCOc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1 ZINC000045925330 571002171 /nfs/dbraw/zinc/00/21/71/571002171.db2.gz FYMNUQRFCRPADP-UHFFFAOYSA-N 0 0 375.497 5.396 50 0 GKAARN Cc1ccc(C)c(CSc2nccn3nc(-c4ccc(C(C)C)cc4)cc23)c1 ZINC000045925425 571002173 /nfs/dbraw/zinc/00/21/73/571002173.db2.gz LZQNPTJAOGWSGS-UHFFFAOYSA-N 0 0 387.552 6.429 50 0 GKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045928051 571002268 /nfs/dbraw/zinc/00/22/68/571002268.db2.gz RUUAZFZBQVYDNF-QHCPKHFHSA-N 0 0 385.463 5.056 50 0 GKAARN O=C(c1cccc(F)c1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCC2 ZINC000045933224 571002638 /nfs/dbraw/zinc/00/26/38/571002638.db2.gz GFYSFOLESBOXTH-UHFFFAOYSA-N 0 0 386.879 5.022 50 0 GKAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCCC3)cc1 ZINC000045932749 571002671 /nfs/dbraw/zinc/00/26/71/571002671.db2.gz 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O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045941312 571003101 /nfs/dbraw/zinc/00/31/01/571003101.db2.gz KFCXCIIDTJVIJT-OAQYLSRUSA-N 0 0 375.855 5.393 50 0 GKAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000045941385 571003179 /nfs/dbraw/zinc/00/31/79/571003179.db2.gz SZTSDLGNTHDBTC-QHCPKHFHSA-N 0 0 385.463 5.056 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000045941690 571003439 /nfs/dbraw/zinc/00/34/39/571003439.db2.gz OPYYMEKHRHZNAY-QHCPKHFHSA-N 0 0 387.454 5.495 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045941688 571003446 /nfs/dbraw/zinc/00/34/46/571003446.db2.gz OPYYMEKHRHZNAY-HSZRJFAPSA-N 0 0 387.454 5.495 50 0 GKAARN CCc1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000045941600 571003468 /nfs/dbraw/zinc/00/34/68/571003468.db2.gz NOUHJCYPAUADLP-VWLOTQADSA-N 0 0 397.518 5.919 50 0 GKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)C1c1ccccc1 ZINC000045941698 571003472 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CC(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000006552229 209656142 /nfs/dbraw/zinc/65/61/42/209656142.db2.gz VIUSHYVOPXALDE-QFIPXVFZSA-N 0 0 390.508 5.426 50 0 GKAARN Cc1cc(C)c2nc(SCC(=O)N[C@H]3CCCc4ccccc43)cc(C)c2c1 ZINC000006477176 209652404 /nfs/dbraw/zinc/65/24/04/209652404.db2.gz CURYPFQWERIPRF-NRFANRHFSA-N 0 0 390.552 5.446 50 0 GKAARN Cc1ccc(CSc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000006237423 209639654 /nfs/dbraw/zinc/63/96/54/209639654.db2.gz DDELHXZLYNOCCB-UHFFFAOYSA-N 0 0 397.569 5.689 50 0 GKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006123982 209631694 /nfs/dbraw/zinc/63/16/94/209631694.db2.gz XFFKHRVOFQTWCF-MRXNPFEDSA-N 0 0 397.927 6.038 50 0 GKAARN CCOC(=O)c1c(NC(=S)NC2CCCCC2)sc2c1CCCCCC2 ZINC000005979987 209624074 /nfs/dbraw/zinc/62/40/74/209624074.db2.gz NAHCZLFYCVLPGL-UHFFFAOYSA-N 0 0 394.606 5.203 50 0 GKAARN S=C1N=NC(c2ccc(-c3cc(Cl)ccc3Cl)o2)N1c1ccccc1 ZINC000006045697 209627241 /nfs/dbraw/zinc/62/72/41/209627241.db2.gz FGMCGTTVDBYAMD-UHFFFAOYSA-N 0 0 388.279 5.790 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)c1ccccc1 ZINC000005899780 209621097 /nfs/dbraw/zinc/62/10/97/209621097.db2.gz WPXASYYZTDBRKA-UHFFFAOYSA-N 0 0 384.357 5.580 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000005744984 209613433 /nfs/dbraw/zinc/61/34/33/209613433.db2.gz AFIFAVIFOLIXMM-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2cccc(Br)c2)C1(C)C ZINC000005659515 209607910 /nfs/dbraw/zinc/60/79/10/209607910.db2.gz QQRRSFLCOHSLBS-OALUTQOASA-N 0 0 388.305 5.555 50 0 GKAARN CCCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000005468925 209596757 /nfs/dbraw/zinc/59/67/57/209596757.db2.gz SCCRENOIEPPUJT-WBVHZDCISA-N 0 0 399.556 5.572 50 0 GKAARN Cc1ccc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)cc1Cl ZINC000005387279 209590350 /nfs/dbraw/zinc/59/03/50/209590350.db2.gz FPKGAUURRLENKU-SNAWJCMRSA-N 0 0 380.753 5.181 50 0 GKAARN CSc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000005362272 209589496 /nfs/dbraw/zinc/58/94/96/209589496.db2.gz GTKUNBQEHHARHI-UHFFFAOYSA-N 0 0 383.325 6.058 50 0 GKAARN COCCn1c(SCc2cccc3ccccc32)nnc1-c1cccc(C)c1 ZINC000005243414 209582601 /nfs/dbraw/zinc/58/26/01/209582601.db2.gz VRMHEEOFCNBRCW-UHFFFAOYSA-N 0 0 389.524 5.345 50 0 GKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000005245342 209582752 /nfs/dbraw/zinc/58/27/52/209582752.db2.gz PUFLQCMNEAFCLY-UHFFFAOYSA-N 0 0 375.472 5.283 50 0 GKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccncc2)c(Cl)c1 ZINC000005215838 209581399 /nfs/dbraw/zinc/58/13/99/209581399.db2.gz SWVLUBLAJIUGEU-CTNGQTDRSA-N 0 0 396.277 5.631 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl)c1ccco1 ZINC000005175627 209578508 /nfs/dbraw/zinc/57/85/08/209578508.db2.gz UEOOLPAPAAUDSJ-UHFFFAOYSA-N 0 0 380.787 5.184 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000005147359 209574335 /nfs/dbraw/zinc/57/43/35/209574335.db2.gz MXSYIVVELSTYPJ-UHFFFAOYSA-N 0 0 399.878 5.345 50 0 GKAARN Clc1cc(Cl)c2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccnc1)O2 ZINC000005092160 209569228 /nfs/dbraw/zinc/56/92/28/209569228.db2.gz RTZVNHOYZLOUFJ-TZIWHRDSSA-N 0 0 396.277 5.631 50 0 GKAARN Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc(Cl)c2)cc1 ZINC000005061462 209565239 /nfs/dbraw/zinc/56/52/39/209565239.db2.gz CHRPCIRKGACBLG-KGENOOAVSA-N 0 0 390.870 5.058 50 0 GKAARN Cc1ccc([C@H](Nc2cccc(C(F)(F)F)c2)[P@@]2(=O)OCC[C@H](C)O2)cc1 ZINC000005060744 209563861 /nfs/dbraw/zinc/56/38/61/209563861.db2.gz IPQXNSMHILAWLJ-NPBIKYGYSA-N 0 0 399.349 6.143 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)Nc2cccnc2)c2ccc(Cl)c(C)c2n1 ZINC000005048799 209563248 /nfs/dbraw/zinc/56/32/48/209563248.db2.gz LIZBYTQCPDQYFK-UHFFFAOYSA-N 0 0 387.870 5.819 50 0 GKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccccc2)s1 ZINC000005048020 209563066 /nfs/dbraw/zinc/56/30/66/209563066.db2.gz FBEPJYOVRUHTAN-MDZDMXLPSA-N 0 0 388.414 5.405 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccccc4)c3)oc2c1 ZINC000005046878 209562460 /nfs/dbraw/zinc/56/24/60/209562460.db2.gz WRAOWAZDUGEHHP-XYOKQWHBSA-N 0 0 388.854 6.109 50 0 GKAARN COc1cccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)c1 ZINC000005021707 209559401 /nfs/dbraw/zinc/55/94/01/209559401.db2.gz WKNILOJXTBMBJC-UHFFFAOYSA-N 0 0 386.842 5.298 50 0 GKAARN Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1cccc2ccccc21 ZINC000005025040 209558908 /nfs/dbraw/zinc/55/89/08/209558908.db2.gz RHJAKCCRABMXEJ-ISLYRVAYSA-N 0 0 388.470 6.018 50 0 GKAARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000004993661 209557090 /nfs/dbraw/zinc/55/70/90/209557090.db2.gz CYZDXXJZNOOSDU-UHFFFAOYSA-N 0 0 376.637 5.615 50 0 GKAARN COc1cccc2ccc(/C=C/c3ccc(OC(C)=O)c(Br)c3)nc21 ZINC000004998373 209556273 /nfs/dbraw/zinc/55/62/73/209556273.db2.gz YKAMFPSWMHWRPH-RMKNXTFCSA-N 0 0 398.256 5.102 50 0 GKAARN Cc1ccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1F ZINC000005022493 209559755 /nfs/dbraw/zinc/55/97/55/209559755.db2.gz PDQFURSJXQUXLE-UHFFFAOYSA-N 0 0 383.423 5.141 50 0 GKAARN CCN(C(=O)c1cc2c(s1)c1ccccc1nc2Cl)c1ccc(OC)cc1 ZINC000004938377 209548588 /nfs/dbraw/zinc/54/85/88/209548588.db2.gz SPMDVFUJDWBQME-UHFFFAOYSA-N 0 0 396.899 5.778 50 0 GKAARN Cc1ccc2oc(=O)c3cc(C(=O)Nc4nc5ccccc5s4)sc3c2c1 ZINC000004939266 209548398 /nfs/dbraw/zinc/54/83/98/209548398.db2.gz NLGWFYAHKJYUTC-UHFFFAOYSA-N 0 0 392.461 5.178 50 0 GKAARN Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccc(F)cc3)cn12 ZINC000004930878 209547786 /nfs/dbraw/zinc/54/77/86/209547786.db2.gz PPYKPENZDBIOQX-UHFFFAOYSA-N 0 0 391.471 5.103 50 0 GKAARN O=c1oc2ccccc2c2c1[C@H](c1ccccn1)c1c(ccc3ccccc31)N2 ZINC000004983283 209554672 /nfs/dbraw/zinc/55/46/72/209554672.db2.gz RTDQLYUARQWYEQ-JOCHJYFZSA-N 0 0 376.415 5.578 50 0 GKAARN Cc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000004931076 209547687 /nfs/dbraw/zinc/54/76/87/209547687.db2.gz PQIBFQSDZWWKIY-SQJMNOBHSA-N 0 0 398.462 5.009 50 0 GKAARN Clc1ccccc1Cn1cccc1C1=N[C@@H](CSCc2ccccc2)CO1 ZINC000004970688 209553091 /nfs/dbraw/zinc/55/30/91/209553091.db2.gz BENMXPYDOHXVJY-LJQANCHMSA-N 0 0 396.943 5.269 50 0 GKAARN CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)cc1 ZINC000004969903 209552341 /nfs/dbraw/zinc/55/23/41/209552341.db2.gz YQTFRGCNKQBDRS-UHFFFAOYSA-N 0 0 395.481 6.677 50 0 GKAARN CCOc1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)cc1 ZINC000004961559 209551431 /nfs/dbraw/zinc/55/14/31/209551431.db2.gz VDWUBRDNIZYFFJ-UHFFFAOYSA-N 0 0 396.899 6.062 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2c(Cl)cccc2Cl)nc1 ZINC000004917396 209544439 /nfs/dbraw/zinc/54/44/39/209544439.db2.gz FSIMKRZWSLDRHM-IBGZPJMESA-N 0 0 384.266 5.468 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cc(C)ccc1C ZINC000004913521 209544175 /nfs/dbraw/zinc/54/41/75/209544175.db2.gz JEFFSOCHMZSSMV-IBGZPJMESA-N 0 0 393.600 6.276 50 0 GKAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000004913813 209543776 /nfs/dbraw/zinc/54/37/76/209543776.db2.gz XEEWAVHJRVMPDC-LBPRGKRZSA-N 0 0 380.271 5.265 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CC)c3ccccc3n2)cc1 ZINC000004903341 209542558 /nfs/dbraw/zinc/54/25/58/209542558.db2.gz ZSCJDEXMOJDEGP-LJQANCHMSA-N 0 0 388.511 5.705 50 0 GKAARN COc1ccc2nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)cc3cc2c1 ZINC000004900265 209540921 /nfs/dbraw/zinc/54/09/21/209540921.db2.gz ULWNHGUAWCJTEA-UHFFFAOYSA-N 0 0 386.835 5.503 50 0 GKAARN Cc1ccc(C2=NC3(CCC(C)CC3)N(C(=O)c3ccccc3)C2=S)cc1 ZINC000004891905 209540434 /nfs/dbraw/zinc/54/04/34/209540434.db2.gz CKTKYKUQLXNXCF-UHFFFAOYSA-N 0 0 376.525 5.174 50 0 GKAARN COc1ccc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)cc3cc2c1 ZINC000004900271 209540442 /nfs/dbraw/zinc/54/04/42/209540442.db2.gz IRXZWXAZTGUHSZ-UHFFFAOYSA-N 0 0 398.871 5.372 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2Cl)c(C)c1 ZINC000004857685 209534674 /nfs/dbraw/zinc/53/46/74/209534674.db2.gz QCIWTQNRZYBUSU-UHFFFAOYSA-N 0 0 395.289 5.976 50 0 GKAARN CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000004820742 209529119 /nfs/dbraw/zinc/52/91/19/209529119.db2.gz BYNZLMMFBLCVNT-UHFFFAOYSA-N 0 0 395.886 5.499 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004791156 209527030 /nfs/dbraw/zinc/52/70/30/209527030.db2.gz IDBSXOAMSKKWPU-UHFFFAOYSA-N 0 0 395.384 5.581 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ccc(Cl)cn32)cc1 ZINC000004733953 209518070 /nfs/dbraw/zinc/51/80/70/209518070.db2.gz UVCUDWIMUVRJJS-UHFFFAOYSA-N 0 0 376.891 5.773 50 0 GKAARN CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000004723980 209516823 /nfs/dbraw/zinc/51/68/23/209516823.db2.gz UDYUPPCRDDBGMD-UHFFFAOYSA-N 0 0 392.311 5.247 50 0 GKAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004715858 209516719 /nfs/dbraw/zinc/51/67/19/209516719.db2.gz ZGLHBGXXZMWRQQ-RXVVDRJESA-N 0 0 380.831 5.184 50 0 GKAARN COC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000004717797 209516292 /nfs/dbraw/zinc/51/62/92/209516292.db2.gz LAETZAKZVHNYPP-UHFFFAOYSA-N 0 0 391.448 5.103 50 0 GKAARN Cc1ccccc1OCc1nnc(SCc2c(Cl)cccc2Cl)n1C ZINC000004700100 209514033 /nfs/dbraw/zinc/51/40/33/209514033.db2.gz NTWFQVVSKDKOEZ-UHFFFAOYSA-N 0 0 394.327 5.302 50 0 GKAARN CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 ZINC000004703860 209513381 /nfs/dbraw/zinc/51/33/81/209513381.db2.gz QTDBQXKDBRVUDD-UHFFFAOYSA-N 0 0 398.506 6.994 50 0 GKAARN C(=C/c1ccc2cccc(OCc3ccccc3)c2n1)\c1ccc2c(c1)OCO2 ZINC000004660109 209505741 /nfs/dbraw/zinc/50/57/41/209505741.db2.gz XPAKQUHPTQLTQB-FMIVXFBMSA-N 0 0 381.431 5.713 50 0 GKAARN COc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3n2)cc1 ZINC000004672483 209509307 /nfs/dbraw/zinc/50/93/07/209509307.db2.gz COTFNIJKWWJIFT-DRSNIGMVSA-N 0 0 388.511 5.465 50 0 GKAARN O=C(CCc1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000004670602 209508337 /nfs/dbraw/zinc/50/83/37/209508337.db2.gz SUFGJHHXMTVMEX-UHFFFAOYSA-N 0 0 389.933 5.055 50 0 GKAARN Cc1ccccc1-c1nn(C(=O)/C=C/c2ccccc2)c2c1[C@@H](C)CC[C@H]2C(C)C ZINC000004671459 209508058 /nfs/dbraw/zinc/50/80/58/209508058.db2.gz NECVWQVNOXIHFD-DGQRJMBKSA-N 0 0 398.550 6.849 50 0 GKAARN c1ccc([C@H]2O[C@H](c3ccccc3)N(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000004661612 209507654 /nfs/dbraw/zinc/50/76/54/209507654.db2.gz BZQJXORAIOYPSZ-OYUWMTPXSA-N 0 0 377.487 6.705 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000004669068 209507465 /nfs/dbraw/zinc/50/74/65/209507465.db2.gz FPHBOHMUTKLYND-SFHVURJKSA-N 0 0 381.479 5.048 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1cccc(F)c1 ZINC000004659619 209505483 /nfs/dbraw/zinc/50/54/83/209505483.db2.gz MZMASHDVZMDCJI-FOCLMDBBSA-N 0 0 392.433 5.848 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 ZINC000004660058 209506324 /nfs/dbraw/zinc/50/63/24/209506324.db2.gz OSNJQRIPRIPFJI-UHFFFAOYSA-N 0 0 384.888 5.523 50 0 GKAARN CCCC[C@H](C)CNC(=O)CCCCCNc1[nH]c(=S)nc2ccccc21 ZINC000004658072 209506348 /nfs/dbraw/zinc/50/63/48/209506348.db2.gz VKZIHOAQGPQGBO-INIZCTEOSA-N 0 0 388.581 5.207 50 0 GKAARN CCOc1ccc([C@H]2Cc3[nH]c(C(=O)OC4CCCCC4)c(C)c3C(=O)C2)cc1 ZINC000004686746 209512226 /nfs/dbraw/zinc/51/22/26/209512226.db2.gz SNTMBMNVHOYOQS-KRWDZBQOSA-N 0 0 395.499 5.124 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000004592248 209500870 /nfs/dbraw/zinc/50/08/70/209500870.db2.gz AZCQKLXAIZTEBW-IBGZPJMESA-N 0 0 381.397 5.650 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004623480 209505018 /nfs/dbraw/zinc/50/50/18/209505018.db2.gz FBDPDRUZBRXTKQ-UHFFFAOYSA-N 0 0 376.544 5.269 50 0 GKAARN O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000004644594 209504571 /nfs/dbraw/zinc/50/45/71/209504571.db2.gz HTFRODUQMSPRQX-MOSHPQCFSA-N 0 0 394.257 6.005 50 0 GKAARN CCOc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000004614078 209502187 /nfs/dbraw/zinc/50/21/87/209502187.db2.gz VHNPZDJGVMPTTM-UHFFFAOYSA-N 0 0 376.239 5.904 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OCC(=O)C(C)(C)C)c2c1 ZINC000004554926 209496788 /nfs/dbraw/zinc/49/67/88/209496788.db2.gz DSPTWKRELQRTLB-UHFFFAOYSA-N 0 0 395.886 5.636 50 0 GKAARN 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CC(C)(C)c1ccc(OCc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)cc1 ZINC000002750768 209382935 /nfs/dbraw/zinc/38/29/35/209382935.db2.gz ZJGSJFZXHXWQJE-UHFFFAOYSA-N 0 0 394.902 5.864 50 0 GKAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)NC1CCCCC1 ZINC000002760986 209382759 /nfs/dbraw/zinc/38/27/59/209382759.db2.gz XAVLTTFGAGKOJP-UHFFFAOYSA-N 0 0 395.334 5.309 50 0 GKAARN COc1cccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)c1 ZINC000002763360 209382775 /nfs/dbraw/zinc/38/27/75/209382775.db2.gz ITKCQGJRBKKGMK-XMMPIXPASA-N 0 0 387.479 5.082 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)OCO2 ZINC000002755312 209382790 /nfs/dbraw/zinc/38/27/90/209382790.db2.gz GFCOAZAUNYEVRC-UHFFFAOYSA-N 0 0 393.251 5.098 50 0 GKAARN Nc1c(C(=O)c2ccccc2)sc2nc(C(F)F)cc(-c3ccccc3)c12 ZINC000002760055 209382560 /nfs/dbraw/zinc/38/25/60/209382560.db2.gz YHQGSPVYSPEOOE-UHFFFAOYSA-N 0 0 380.419 5.714 50 0 GKAARN Cc1ccccc1Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cn1 ZINC000002763595 209382631 /nfs/dbraw/zinc/38/26/31/209382631.db2.gz 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CCCCC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O ZINC000002345891 209358233 /nfs/dbraw/zinc/35/82/33/209358233.db2.gz ISQULSSYJUVJPC-HOCLYGCPSA-N 0 0 399.922 5.198 50 0 GKAARN Cc1ccc(C)c(CSc2nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o2)c1 ZINC000002343475 209357908 /nfs/dbraw/zinc/35/79/08/209357908.db2.gz LCLYFNOXIOAEKA-INIZCTEOSA-N 0 0 391.537 5.201 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000002344368 209357857 /nfs/dbraw/zinc/35/78/57/209357857.db2.gz IKMZYSDQFUYLOT-UHFFFAOYSA-N 0 0 375.815 5.309 50 0 GKAARN COc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3)c3cc(C)ccc3n2)cc1 ZINC000002328905 209357510 /nfs/dbraw/zinc/35/75/10/209357510.db2.gz KWGHYOIMLMBLNR-UHFFFAOYSA-N 0 0 383.447 5.746 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000002336262 209357132 /nfs/dbraw/zinc/35/71/32/209357132.db2.gz MSQCRQLMOUKTQD-UHFFFAOYSA-N 0 0 393.830 5.194 50 0 GKAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(c1ccccc1)c1ccccc1 ZINC000002325214 209357026 /nfs/dbraw/zinc/35/70/26/209357026.db2.gz OKVXDEBKIJNLCL-UHFFFAOYSA-N 0 0 388.898 5.312 50 0 biogenic GKAARN COc1ccc(CC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002313115 209356488 /nfs/dbraw/zinc/35/64/88/209356488.db2.gz JWTZNPDJPKLYSV-HHHXNRCGSA-N 0 0 399.534 5.759 50 0 GKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000002311883 209356239 /nfs/dbraw/zinc/35/62/39/209356239.db2.gz UROUMQPAZXHIPK-KKSFZXQISA-N 0 0 376.887 5.932 50 0 GKAARN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1Cl ZINC000002314408 209356058 /nfs/dbraw/zinc/35/60/58/209356058.db2.gz RMVZYXGEQXTUCA-VQHVLOKHSA-N 0 0 378.815 5.702 50 0 GKAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000002303557 209356095 /nfs/dbraw/zinc/35/60/95/209356095.db2.gz LBDZXGVUBLGGFS-BKUYFWCQSA-N 0 0 389.838 5.264 50 0 GKAARN Fc1ccc(-c2c3c(nc4c2CCc2ccccc2-4)-c2ccccc2CC3)cc1 ZINC000002291979 209354965 /nfs/dbraw/zinc/35/49/65/209354965.db2.gz DXQLGGCOTFWGTA-UHFFFAOYSA-N 0 0 377.462 6.419 50 0 GKAARN Cl/C(=C(\c1ccccc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002300316 209355081 /nfs/dbraw/zinc/35/50/81/209355081.db2.gz FHJQDCZKOORQAL-CYYJNZCTSA-N 0 0 396.917 7.421 50 0 GKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 ZINC000002286482 209354566 /nfs/dbraw/zinc/35/45/66/209354566.db2.gz ODMKWHVJVXBVCH-UHFFFAOYSA-N 0 0 384.570 5.527 50 0 GKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC000002299098 209354532 /nfs/dbraw/zinc/35/45/32/209354532.db2.gz LCUXVDRZJNIBDX-HNNXBMFYSA-N 0 0 398.597 5.854 50 0 GKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 ZINC000002295992 209354242 /nfs/dbraw/zinc/35/42/42/209354242.db2.gz XYOXIHSFFVCDMN-AWEZNQCLSA-N 0 0 384.570 5.464 50 0 GKAARN Cc1ccccc1Oc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002267009 209354015 /nfs/dbraw/zinc/35/40/15/209354015.db2.gz RDXRHYQJLARTTM-UHFFFAOYSA-N 0 0 381.262 6.704 50 0 GKAARN CC(C)c1nc2sc3c(ncnc3OCc3ccccc3)c2c2c1CCCC2 ZINC000002262879 209353834 /nfs/dbraw/zinc/35/38/34/209353834.db2.gz HKPLXZBVTLYFLG-UHFFFAOYSA-N 0 0 389.524 5.821 50 0 GKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000002271090 209353747 /nfs/dbraw/zinc/35/37/47/209353747.db2.gz QKVZCCXOZQDSMB-MHECFPHRSA-N 0 0 384.479 5.220 50 0 GKAARN COc1cccc(C(=O)N2c3ccc(C)cc3[C@](C)(c3ccccc3)CC2(C)C)c1 ZINC000002269780 209353327 /nfs/dbraw/zinc/35/33/27/209353327.db2.gz TYVDXXLIGWGCPF-MHZLTWQESA-N 0 0 399.534 6.139 50 0 aggregator GKAARN COc1ccc(OC)c(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000002267244 209353374 /nfs/dbraw/zinc/35/33/74/209353374.db2.gz VTTGCMRFVIRQQB-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)c1sc3ccccc3c1Cl)C(C)(C)C[C@H]2C ZINC000002269689 209353396 /nfs/dbraw/zinc/35/33/96/209353396.db2.gz JCYSFEDCTPZAII-CQSZACIVSA-N 0 0 383.944 6.796 50 0 GKAARN Cc1ccc([C@H](CC(=O)NCc2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000002249565 209352931 /nfs/dbraw/zinc/35/29/31/209352931.db2.gz NVPIVELFSNKHNX-VWLOTQADSA-N 0 0 387.523 5.621 50 0 GKAARN CCOc1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1 ZINC000002249743 209352471 /nfs/dbraw/zinc/35/24/71/209352471.db2.gz AIOAMYSSDGMDNC-UHFFFAOYSA-N 0 0 380.451 5.343 50 0 GKAARN C/C(Cl)=C\CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 ZINC000002249966 209352217 /nfs/dbraw/zinc/35/22/17/209352217.db2.gz NHRKVJHKZDCWEQ-YRNVUSSQSA-N 0 0 389.977 6.086 50 0 GKAARN CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(F)cc3)s2)c1 ZINC000002227438 209351675 /nfs/dbraw/zinc/35/16/75/209351675.db2.gz CAXBDFDWAQFYRZ-UHFFFAOYSA-N 0 0 386.452 5.167 50 0 GKAARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1F ZINC000002222694 209351281 /nfs/dbraw/zinc/35/12/81/209351281.db2.gz BFEUXHOQAQUXOM-UHFFFAOYSA-N 0 0 388.833 5.737 50 0 GKAARN CC(=O)c1ccc(-n2c3nc4ccccc4nc3nc2-c2cccc(Cl)c2)cc1 ZINC000002238427 209351357 /nfs/dbraw/zinc/35/13/57/209351357.db2.gz TVAMWJOWINUQRX-UHFFFAOYSA-N 0 0 398.853 5.492 50 0 GKAARN CCCc1cc(Nc2ccc(Cl)cc2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002219850 209350643 /nfs/dbraw/zinc/35/06/43/209350643.db2.gz QJBSVSVYZDLZEG-UHFFFAOYSA-N 0 0 376.891 6.054 50 0 GKAARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000002214442 209350404 /nfs/dbraw/zinc/35/04/04/209350404.db2.gz FOWAHKPOSVLFFC-UHFFFAOYSA-N 0 0 382.847 5.447 50 0 GKAARN CCCCN(CC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000002212626 209350415 /nfs/dbraw/zinc/35/04/15/209350415.db2.gz VGQBMRHUGFLGOA-UHFFFAOYSA-N 0 0 382.577 5.553 50 0 GKAARN CCN(CC)c1ccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2c1 ZINC000002197265 209349704 /nfs/dbraw/zinc/34/97/04/209349704.db2.gz NLCYEOPKNWTBLN-UHFFFAOYSA-N 0 0 376.481 5.430 50 0 GKAARN O=C(Nc1cccc(Cl)c1)NC1=NC2=C(CCCC2)C2(CCCCC2)S1 ZINC000002208017 209349551 /nfs/dbraw/zinc/34/95/51/209349551.db2.gz JQIRNDNLLHWUHI-UHFFFAOYSA-N 0 0 389.952 6.095 50 0 GKAARN CC1=C(c2ccccc2)S/C(=C2\SC(C)=C(c3ccccc3)S2)S1 ZINC000002149896 209348856 /nfs/dbraw/zinc/34/88/56/209348856.db2.gz FMNLAZQSZLXKIK-FMQUCBEESA-N 0 0 384.616 7.850 50 0 GKAARN CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000002182400 209348869 /nfs/dbraw/zinc/34/88/69/209348869.db2.gz PASIFSDYHPUZOO-HNNXBMFYSA-N 0 0 398.572 5.808 50 0 GKAARN COc1ccc2cc(C(=O)Nc3ccccc3)/c(=N/c3cccc(F)c3)oc2c1 ZINC000001512503 209332949 /nfs/dbraw/zinc/33/29/49/209332949.db2.gz PTSRLPSBATWXLI-RWEWTDSWSA-N 0 0 388.398 5.065 50 0 GKAARN CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002176596 209348232 /nfs/dbraw/zinc/34/82/32/209348232.db2.gz IQTPXJIEFXDOLW-UHFFFAOYSA-N 0 0 388.536 5.379 50 0 biogenic GKAARN COc1cccc(-c2coc3cc4oc(=O)c(Cc5ccccc5)c(C)c4cc32)c1 ZINC000002146134 209347725 /nfs/dbraw/zinc/34/77/25/209347725.db2.gz IKFLIKCPNMEXAU-UHFFFAOYSA-N 0 0 396.442 6.114 50 0 biogenic GKAARN O=C(Oc1ccc(-c2ccccc2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000002145744 209347483 /nfs/dbraw/zinc/34/74/83/209347483.db2.gz KDPGPXYYANQIGB-UHFFFAOYSA-N 0 0 378.427 6.197 50 0 GKAARN Cc1oc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc2c1-c1ccccc1 ZINC000002109311 209347562 /nfs/dbraw/zinc/34/75/62/209347562.db2.gz SFMXIYZBDWJCCH-UHFFFAOYSA-N 0 0 380.443 6.414 50 0 biogenic GKAARN Cc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000002134634 209347245 /nfs/dbraw/zinc/34/72/45/209347245.db2.gz UTXHEHNCZSJVKU-UHFFFAOYSA-N 0 0 381.269 5.495 50 0 GKAARN CCCc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1 ZINC000002103702 209347277 /nfs/dbraw/zinc/34/72/77/209347277.db2.gz HHVRYRKKTGVIDY-UHFFFAOYSA-N 0 0 380.491 5.784 50 0 GKAARN CCc1ccc([C@@H](C)NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000002105006 209347297 /nfs/dbraw/zinc/34/72/97/209347297.db2.gz FVJUVUIMXKCMPJ-WZONZLPQSA-N 0 0 375.537 5.960 50 0 GKAARN CN(C)C(=S)[C@@]1(c2ccccc2)SC(c2ccccc2)=C(N(C)C)S1 ZINC000002146546 209347302 /nfs/dbraw/zinc/34/73/02/209347302.db2.gz AUMABFMXKIWDPS-FQEVSTJZSA-N 0 0 386.611 5.096 50 0 GKAARN Cc1cccc(-c2cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c3ccccc3n2)c1 ZINC000002107683 209347372 /nfs/dbraw/zinc/34/73/72/209347372.db2.gz LJQFYHXUYIRRIP-HXUWFJFHSA-N 0 0 394.518 6.318 50 0 GKAARN CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccc(Cl)cc2Cl)C1(C)C ZINC000002138507 209347383 /nfs/dbraw/zinc/34/73/83/209347383.db2.gz QCQAYMYUDXYUKY-MOPGFXCFSA-N 0 0 378.299 6.099 50 0 GKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(Br)c1 ZINC000002083882 209346349 /nfs/dbraw/zinc/34/63/49/209346349.db2.gz KBJXRWOTBVVRCM-UHFFFAOYSA-N 0 0 382.685 5.209 50 0 GKAARN CCOc1ccc(NCc2ccccc2OCc2cccc3ccccc32)cc1 ZINC000002093963 209346258 /nfs/dbraw/zinc/34/62/58/209346258.db2.gz QBWJEXTZLYXRJK-UHFFFAOYSA-N 0 0 383.491 6.430 50 0 GKAARN O=C(OCc1ccc(Cl)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002079706 209346271 /nfs/dbraw/zinc/34/62/71/209346271.db2.gz RDLIZBJFMYBWFE-UHFFFAOYSA-N 0 0 390.826 5.414 50 0 GKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 ZINC000002081700 209345929 /nfs/dbraw/zinc/34/59/29/209345929.db2.gz GYJMCECYCNGQGB-UHFFFAOYSA-N 0 0 380.491 6.388 50 0 GKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 ZINC000002078823 209346019 /nfs/dbraw/zinc/34/60/19/209346019.db2.gz GHADPMYJWWGWKD-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)c1 ZINC000002078832 209346047 /nfs/dbraw/zinc/34/60/47/209346047.db2.gz RAXHRMYOKMEOHL-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Cl)cc1Cl ZINC000002079057 209345773 /nfs/dbraw/zinc/34/57/73/209345773.db2.gz YHYSQRISISYERP-UHFFFAOYSA-N 0 0 395.245 5.823 50 0 GKAARN Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)cc3)c(C)c2)cc1 ZINC000002079044 209345639 /nfs/dbraw/zinc/34/56/39/209345639.db2.gz LRDAAOSIEBAWDH-UHFFFAOYSA-N 0 0 381.269 5.952 50 0 GKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 ZINC000002070442 209345163 /nfs/dbraw/zinc/34/51/63/209345163.db2.gz CORQFRWSWZKYCN-GFCCVEGCSA-N 0 0 391.920 5.344 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 ZINC000002056725 209345229 /nfs/dbraw/zinc/34/52/29/209345229.db2.gz YVPSQCOQBUQBPF-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000002060570 209345234 /nfs/dbraw/zinc/34/52/34/209345234.db2.gz NLEHAIKAQGRANB-UHFFFAOYSA-N 0 0 397.433 6.441 50 0 GKAARN CCOc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1 ZINC000002058096 209344915 /nfs/dbraw/zinc/34/49/15/209344915.db2.gz MXMIFMXLGGHDGW-UHFFFAOYSA-N 0 0 382.554 6.303 50 0 GKAARN c1ccc2nc(-c3cnc4ccccc4c3-c3cccc4ccccc43)ccc2c1 ZINC000002072705 209345004 /nfs/dbraw/zinc/34/50/04/209345004.db2.gz DQPOSVKPSUOSHQ-UHFFFAOYSA-N 0 0 382.466 7.270 50 0 GKAARN CCOC(=O)c1c(Cc2ccccc2)c(-c2ccccc2)sc1NC(=O)CC ZINC000002060700 209344782 /nfs/dbraw/zinc/34/47/82/209344782.db2.gz CCISPJSGVHXJOM-UHFFFAOYSA-N 0 0 393.508 5.531 50 0 GKAARN CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000002062959 209344509 /nfs/dbraw/zinc/34/45/09/209344509.db2.gz CFDBHASSPCRLMM-MRXNPFEDSA-N 0 0 385.504 5.131 50 0 GKAARN Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(F)cc3)c3ccc(C)cc32)cc1 ZINC000002059433 209344686 /nfs/dbraw/zinc/34/46/86/209344686.db2.gz VYUJSNPJDQYXJO-WZONZLPQSA-N 0 0 388.486 6.035 50 0 GKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000002061773 209344360 /nfs/dbraw/zinc/34/43/60/209344360.db2.gz NNXDESYWZAIDHY-UHFFFAOYSA-N 0 0 375.777 6.278 50 0 GKAARN C(=C/c1cccc2ccccc12)\c1ccc(/C=C/c2cccc3ccccc23)cc1 ZINC000002025961 209344114 /nfs/dbraw/zinc/34/41/14/209344114.db2.gz DQFJMWXJTSHGJL-FLFKKZLDSA-N 0 0 382.506 8.334 50 0 GKAARN Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1 ZINC000001915245 209342595 /nfs/dbraw/zinc/34/25/95/209342595.db2.gz FZFGGSZNVOPMAG-SDNWHVSQSA-N 0 0 382.415 5.387 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c(C)c1 ZINC000001868356 209341731 /nfs/dbraw/zinc/34/17/31/209341731.db2.gz YSXKEILPHPATMS-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN O=C(NCc1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001884686 209341431 /nfs/dbraw/zinc/34/14/31/209341431.db2.gz HOGVBMQEFUXSHX-UHFFFAOYSA-N 0 0 383.489 5.884 50 0 GKAARN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1)c1ccco1 ZINC000001517883 209332076 /nfs/dbraw/zinc/33/20/76/209332076.db2.gz GGGFDCMZGHSYNP-UHFFFAOYSA-N 0 0 375.211 5.091 50 0 GKAARN CCNc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000001853059 209341085 /nfs/dbraw/zinc/34/10/85/209341085.db2.gz AMRYPKPLMAJPPD-JOCHJYFZSA-N 0 0 393.870 5.553 50 0 GKAARN CCc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000001889628 209340876 /nfs/dbraw/zinc/34/08/76/209340876.db2.gz JXAPFTXOPRSVTO-UHFFFAOYSA-N 0 0 399.515 6.546 50 0 GKAARN Cc1ccc(OP(=O)(Nc2c(C)cccc2C)Oc2ccc(C)cc2)cc1 ZINC000001853186 209340897 /nfs/dbraw/zinc/34/08/97/209340897.db2.gz DFSJRPYOBYJWBS-UHFFFAOYSA-N 0 0 381.412 6.598 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001886774 209340747 /nfs/dbraw/zinc/34/07/47/209340747.db2.gz WKZNQAMSFKVFHO-UHFFFAOYSA-N 0 0 398.311 5.363 50 0 GKAARN C[C@@H]1C[C@@H](N(C(=O)c2ccccc2Cl)c2ccccc2)c2ccccc2N1 ZINC000001795151 209340444 /nfs/dbraw/zinc/34/04/44/209340444.db2.gz YVVXFSUFBIJTJU-OPAMFIHVSA-N 0 0 376.887 5.932 50 0 GKAARN COc1c(Cl)ccc(Cl)c1C(=O)NC1CCCCCCCCCCC1 ZINC000001787716 209340513 /nfs/dbraw/zinc/34/05/13/209340513.db2.gz ZKKHPIXZQSJLLF-UHFFFAOYSA-N 0 0 386.363 6.405 50 0 GKAARN CCc1cc2c(cc1OCc1ccccc1Cl)oc(=O)cc2-c1ccccc1 ZINC000001797514 209340145 /nfs/dbraw/zinc/34/01/45/209340145.db2.gz GZQNEBCUGKVESV-UHFFFAOYSA-N 0 0 390.866 6.255 50 0 GKAARN Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000001808409 209339983 /nfs/dbraw/zinc/33/99/83/209339983.db2.gz PDODLXLEOFCFOK-UHFFFAOYSA-N 0 0 389.278 5.866 50 0 GKAARN COc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1Br ZINC000001796950 209339665 /nfs/dbraw/zinc/33/96/65/209339665.db2.gz DLSCSKGPXLBVPV-UHFFFAOYSA-N 0 0 383.241 5.344 50 0 GKAARN O=C(c1cc2sc3ccccc3c2s1)N(C1CCCCC1)C1CCCCC1 ZINC000001795826 209339637 /nfs/dbraw/zinc/33/96/37/209339637.db2.gz ZROMYCYUFGQEFJ-UHFFFAOYSA-N 0 0 397.609 7.224 50 0 GKAARN CCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000001762334 209339139 /nfs/dbraw/zinc/33/91/39/209339139.db2.gz XFPSCFKAOHMDTL-UHFFFAOYSA-N 0 0 399.629 6.743 50 0 GKAARN CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 ZINC000001758895 209339196 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O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1Cl ZINC000001714916 209337342 /nfs/dbraw/zinc/33/73/42/209337342.db2.gz HSLMYIVKVUHENS-UHFFFAOYSA-N 0 0 383.584 6.310 50 0 GKAARN COC(=O)c1sccc1OCc1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000001398584 209327123 /nfs/dbraw/zinc/32/71/23/209327123.db2.gz UBYHGRDVHLNARU-UHFFFAOYSA-N 0 0 384.240 5.076 50 0 GKAARN CSc1nc2c(cnn2-c2ccccc2)c(Sc2ccccc2Cl)n1 ZINC000001403694 209326935 /nfs/dbraw/zinc/32/69/35/209326935.db2.gz IPZSISGUIMJNID-UHFFFAOYSA-N 0 0 384.917 5.342 50 0 GKAARN Cc1cc(-c2ccccc2)nc(Cl)c1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000001401902 209326991 /nfs/dbraw/zinc/32/69/91/209326991.db2.gz PHBJMVXKXHDOOJ-UHFFFAOYSA-N 0 0 392.307 5.338 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c(Cl)c1 ZINC000001413963 209327049 /nfs/dbraw/zinc/32/70/49/209327049.db2.gz CKQXVNPOKVMIKM-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCOC(=O)[C@H](CC)Oc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1 ZINC000001413796 209326672 /nfs/dbraw/zinc/32/66/72/209326672.db2.gz FDCVOFFCXYPNNM-INIZCTEOSA-N 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Cc1cccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)c1 ZINC000001204262 209313258 /nfs/dbraw/zinc/31/32/58/209313258.db2.gz ZNNSHYDJVYAELU-UHFFFAOYSA-N 0 0 397.228 5.411 50 0 GKAARN CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)C(C)C)c1ccc(Cl)cc1 ZINC000001197113 209313115 /nfs/dbraw/zinc/31/31/15/209313115.db2.gz JBDWROWPZBHKTP-JOCHJYFZSA-N 0 0 395.886 5.280 50 0 GKAARN O=C(C=CNc1ccccc1Br)c1ccc(Br)cc1 ZINC000001199575 209312816 /nfs/dbraw/zinc/31/28/16/209312816.db2.gz DFIUBMFWPNLPGW-MDZDMXLPSA-N 0 0 381.067 5.020 50 0 GKAARN COc1cccc(Nc2nc(-c3ccc(OC)c(Br)c3)cs2)c1 ZINC000001203103 209312920 /nfs/dbraw/zinc/31/29/20/209312920.db2.gz NGKLMBOWYMDPJO-UHFFFAOYSA-N 0 0 391.290 5.333 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 ZINC000001203460 209313022 /nfs/dbraw/zinc/31/30/22/209313022.db2.gz BGDIGPJYTJKZSJ-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001177680 209310960 /nfs/dbraw/zinc/31/09/60/209310960.db2.gz PSVOMXMYTLHKBU-NTCAYCPXSA-N 0 0 379.891 5.074 50 0 GKAARN COc1ccc(OCc2nc3ccccc3n2Cc2cccc3ccccc32)cc1 ZINC000001179760 209311004 /nfs/dbraw/zinc/31/10/04/209311004.db2.gz DYOYQKDTFLJFIL-UHFFFAOYSA-N 0 0 394.474 5.825 50 0 GKAARN Cc1cc(I)ccc1NC(=O)c1cccc2ccccc21 ZINC000001185097 209311587 /nfs/dbraw/zinc/31/15/87/209311587.db2.gz KEFJSFHRGIAPHT-UHFFFAOYSA-N 0 0 387.220 5.005 50 0 GKAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000001178756 209311124 /nfs/dbraw/zinc/31/11/24/209311124.db2.gz ZNKIZTIUOHXQBK-CYBMUJFWSA-N 0 0 376.294 5.289 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000001163479 209308755 /nfs/dbraw/zinc/30/87/55/209308755.db2.gz SAIKMRGMBJIMCK-GSVIPDFHSA-N 0 0 393.408 5.941 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000001163480 209309113 /nfs/dbraw/zinc/30/91/13/209309113.db2.gz SAIKMRGMBJIMCK-LVIWNVNYSA-N 0 0 393.408 5.941 50 0 GKAARN Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc4ccccc43)c2)c1 ZINC000001176803 209310865 /nfs/dbraw/zinc/31/08/65/209310865.db2.gz 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212170509 /nfs/dbraw/zinc/17/05/09/212170509.db2.gz XJIRQSKTPXMALD-UHFFFAOYSA-N 0 0 394.323 5.374 50 0 GKAARN COc1ccccc1CNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000000695905 212175328 /nfs/dbraw/zinc/17/53/28/212175328.db2.gz UZTBXGJWINPATP-UHFFFAOYSA-N 0 0 396.490 5.457 50 0 GKAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000000706209 212174910 /nfs/dbraw/zinc/17/49/10/212174910.db2.gz KQWLVKXGONLDSA-IBGZPJMESA-N 0 0 397.247 5.359 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccco1 ZINC000000678613 212173739 /nfs/dbraw/zinc/17/37/39/212173739.db2.gz AOLPKZUNAGPCSY-UHFFFAOYSA-N 0 0 387.222 5.955 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc(Cl)cc2s1 ZINC000000676982 212173749 /nfs/dbraw/zinc/17/37/49/212173749.db2.gz QUZLOZPOTNGFNC-UHFFFAOYSA-N 0 0 387.675 5.274 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000000677355 212173234 /nfs/dbraw/zinc/17/32/34/212173234.db2.gz BUSHRBIGTDWFQV-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc2ccccc21 ZINC000000677791 212173308 /nfs/dbraw/zinc/17/33/08/212173308.db2.gz UETKTPQHWIKSAN-UHFFFAOYSA-N 0 0 394.430 5.909 50 0 GKAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)c2C(N)=O)C1 ZINC000000669264 212172814 /nfs/dbraw/zinc/17/28/14/212172814.db2.gz PYBXMVAEDZEUHY-INDWDQIESA-N 0 0 396.556 5.137 50 0 GKAARN COC(=O)c1ccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)cc1 ZINC000000672847 212172614 /nfs/dbraw/zinc/17/26/14/212172614.db2.gz UDLDNWJZSFXAAV-UHFFFAOYSA-N 0 0 396.446 5.249 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1 ZINC000000626960 212165695 /nfs/dbraw/zinc/16/56/95/212165695.db2.gz PCQHQQZQXRSVDE-UHFFFAOYSA-N 0 0 384.460 5.293 50 0 in-vivo GKAARN O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1c1cccc(Br)c1 ZINC000000625046 212165796 /nfs/dbraw/zinc/16/57/96/212165796.db2.gz QYQNNUDRKHXDGU-IBGZPJMESA-N 0 0 397.247 5.359 50 0 GKAARN COC(=O)c1c(-c2ccccc2)c2c(n1-c1ccccc1)-c1ccccc1OC2 ZINC000000626893 212165493 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212146662 /nfs/dbraw/zinc/14/66/62/212146662.db2.gz PHZCYFDCMHWTPQ-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000015880443 212150168 /nfs/dbraw/zinc/15/01/68/212150168.db2.gz WBMSCXVCHDNYOF-UHFFFAOYSA-N 0 0 391.854 6.404 50 0 GKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccccc4)ccc3c2C)c1 ZINC000015729344 212150014 /nfs/dbraw/zinc/15/00/14/212150014.db2.gz FVNBVLDMFGHWGK-UHFFFAOYSA-N 0 0 385.419 5.233 50 0 GKAARN CC(C)c1ccc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2c1 ZINC000011869697 212149800 /nfs/dbraw/zinc/14/98/00/212149800.db2.gz LJTRVJGYUSGVCT-UHFFFAOYSA-N 0 0 383.241 6.092 50 0 GKAARN COc1ccccc1C(=O)Nc1ccc2c(C)c(C(=O)c3ccccc3)oc2c1 ZINC000016993280 212149424 /nfs/dbraw/zinc/14/94/24/212149424.db2.gz PNHUVMGBWFAOGA-UHFFFAOYSA-N 0 0 385.419 5.233 50 0 GKAARN COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2C)cc1O ZINC000005163701 212146108 /nfs/dbraw/zinc/14/61/08/212146108.db2.gz QTEDZZZEEFGQKW-UHFFFAOYSA-N 0 0 386.451 5.345 50 0 GKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccccc4)ccc3o2)cc1 ZINC000009660135 212148428 /nfs/dbraw/zinc/14/84/28/212148428.db2.gz BXVYWPXVRYTPQT-UHFFFAOYSA-N 0 0 398.462 6.227 50 0 GKAARN Cc1ccc2c(c1)oc(=O)cc2-c1oc2ccccc2c1NC(=O)c1ccco1 ZINC000006661208 212147742 /nfs/dbraw/zinc/14/77/42/212147742.db2.gz YJZOANYBPWWTFP-UHFFFAOYSA-N 0 0 385.375 5.360 50 0 GKAARN O=c1c2ccc(OCc3ccccc3Cl)cc2occ1-c1ccc(Cl)cc1 ZINC000002666268 212145786 /nfs/dbraw/zinc/14/57/86/212145786.db2.gz FVBMMIOUXWPBPU-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 GKAARN COc1ccccc1[C@@]1(C)CCc2oc3ccc(Cl)cc3c2-c2oc(C)cc21 ZINC000002070769 212145020 /nfs/dbraw/zinc/14/50/20/212145020.db2.gz KNKJGTZJXYKLPX-XMMPIXPASA-N 0 0 392.882 6.915 50 0 biogenic GKAARN COc1ccccc1Oc1coc2cc(OCc3ccccc3C)ccc2c1=O ZINC000001132473 212144841 /nfs/dbraw/zinc/14/48/41/212144841.db2.gz ICEAIJRPAHJMDA-UHFFFAOYSA-N 0 0 388.419 5.481 50 0 biogenic GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)N(CC(C)C)CC(C)C)c2c1 ZINC000002319961 212144856 /nfs/dbraw/zinc/14/48/56/212144856.db2.gz MAZGLTNCUAJBPT-UHFFFAOYSA-N 0 0 393.527 6.253 50 0 GKAARN O=c1c(-c2ccccc2)coc2cc(OCc3ccc(F)cc3Cl)ccc12 ZINC000002368108 212144998 /nfs/dbraw/zinc/14/49/98/212144998.db2.gz AYVRNHUBDOJVKX-UHFFFAOYSA-N 0 0 380.802 5.832 50 0 GKAARN O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3ccccc3F)ccc12 ZINC000001915171 212144219 /nfs/dbraw/zinc/14/42/19/212144219.db2.gz AZZJAXQRWGGBNW-UHFFFAOYSA-N 0 0 380.802 5.832 50 0 GKAARN Cc1oc2cc(OCC(=O)c3ccc(F)cc3)ccc2c(=O)c1-c1ccccc1 ZINC000001447920 212144120 /nfs/dbraw/zinc/14/41/20/212144120.db2.gz WWQKAORHPAVBEP-UHFFFAOYSA-N 0 0 388.394 5.169 50 0 GKAARN COc1ccccc1-c1coc2cc(OCc3ccc(F)cc3)ccc2c1=O ZINC000000942668 212143241 /nfs/dbraw/zinc/14/32/41/212143241.db2.gz JKJYRTWDOXZKOU-UHFFFAOYSA-N 0 0 376.383 5.187 50 0 biogenic GKAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000263588631 212141756 /nfs/dbraw/zinc/14/17/56/212141756.db2.gz WJORPUZBWVHBQL-IBGZPJMESA-N 0 0 393.874 5.119 50 0 GKAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3)cc21 ZINC000000623684 212142204 /nfs/dbraw/zinc/14/22/04/212142204.db2.gz LPEWIPJAMJHKMR-UHFFFAOYSA-N 0 0 389.245 5.259 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000263621511 212142173 /nfs/dbraw/zinc/14/21/73/212142173.db2.gz GPRZNBVSDQKTAI-VKUWRZNHSA-N 0 0 394.540 5.437 50 0 GKAARN CC(C)C[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(Cl)cc4)coc-3c21 ZINC000253397972 212135941 /nfs/dbraw/zinc/13/59/41/212135941.db2.gz BUGUTLLRHIOHAD-CYBMUJFWSA-N 0 0 398.842 5.258 50 0 biogenic GKAARN Cc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)o1 ZINC000248021034 212135021 /nfs/dbraw/zinc/13/50/21/212135021.db2.gz MFWNSDZRXMNLKW-YXBVLTHZSA-N 0 0 382.544 5.266 50 0 biogenic GKAARN CC1CCN(c2nc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3s2)CC1 ZINC000245276367 212134237 /nfs/dbraw/zinc/13/42/37/212134237.db2.gz UZPLNESIHVNODX-JFIYKMOQSA-N 0 0 385.577 5.087 50 0 GKAARN Cc1cc2sc(N3CCC[C@H](C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)C3)nc2c(C)c1 ZINC000245257931 212134268 /nfs/dbraw/zinc/13/42/68/212134268.db2.gz IKFVVZUGAWEGGY-OQIJWPOYSA-N 0 0 399.604 5.070 50 0 GKAARN CC(C)(C)[C@@H]1CCCc2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c21 ZINC000033435777 212111595 /nfs/dbraw/zinc/11/15/95/212111595.db2.gz VDLLUXUCASQBQN-GFCCVEGCSA-N 0 0 379.451 5.967 50 0 GKAARN Cn1cc([C@H]2c3ccccc3C(=O)N2Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000334163085 212108135 /nfs/dbraw/zinc/10/81/35/212108135.db2.gz LCPQBNYQJPVFTM-RUZDIDTESA-N 0 0 391.474 5.405 50 0 GKAARN Fc1cc(CN2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000016695701 212110415 /nfs/dbraw/zinc/11/04/15/212110415.db2.gz DDWCKFWWUMGCPG-XLIONFOSSA-N 0 0 395.396 5.208 50 0 GKAARN O=C1CC[C@@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1Cc1ccccc1 ZINC000334163451 212109088 /nfs/dbraw/zinc/10/90/88/212109088.db2.gz SMFWFPUSBXGJAX-QFIPXVFZSA-N 0 0 384.454 5.838 50 0 GKAARN c1csc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccccc3)C2)c1 ZINC000028064413 212109135 /nfs/dbraw/zinc/10/91/35/212109135.db2.gz XXAQABLAEGPJOZ-FQEVSTJZSA-N 0 0 387.533 6.227 50 0 GKAARN CC(C)(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 ZINC000334163442 212108922 /nfs/dbraw/zinc/10/89/22/212108922.db2.gz SFGLWEHSMDCYAJ-PDGQHHTCSA-N 0 0 384.476 5.229 50 0 GKAARN COC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000328579073 212098830 /nfs/dbraw/zinc/09/88/30/212098830.db2.gz NKQNXMNZCVKVMI-UHFFFAOYSA-N 0 0 386.220 5.104 50 0 GKAARN O=C(c1sc(Cl)c(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000002173350 212100931 /nfs/dbraw/zinc/10/09/31/212100931.db2.gz TZBHEEUKXQGFHJ-UHFFFAOYSA-N 0 0 381.536 5.635 50 0 GKAARN Cc1ccc(C)c(NC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)c1 ZINC000000641534 212100101 /nfs/dbraw/zinc/10/01/01/212100101.db2.gz BEXFOQMUDNOSSM-UHFFFAOYSA-N 0 0 375.424 5.271 50 0 GKAARN O=C(CCc1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1F ZINC000004542705 212079858 /nfs/dbraw/zinc/07/98/58/212079858.db2.gz UXXJJWVPLCREKB-UHFFFAOYSA-N 0 0 388.236 5.420 50 0 GKAARN COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3C)o2)cc1Cl ZINC000004543229 212079553 /nfs/dbraw/zinc/07/95/53/212079553.db2.gz GKDQYKHJKVYMCT-UHFFFAOYSA-N 0 0 376.239 5.823 50 0 GKAARN C(=C/c1ccnc2ccccc12)\c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000004774862 212079406 /nfs/dbraw/zinc/07/94/06/212079406.db2.gz JXIKIBHDGAGICF-WXUKJITCSA-N 0 0 384.482 7.124 50 0 GKAARN CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)S(=O)(=O)c1cccc(N)c1 ZINC000005193367 212081781 /nfs/dbraw/zinc/08/17/81/212081781.db2.gz VYJVIHHSUCRCLI-WOJBJXKFSA-N 0 0 396.641 5.692 50 0 GKAARN Clc1ccc(-c2cs/c(=N\Cc3cccnc3)n2C2CCCCC2)cc1 ZINC000102318137 212081490 /nfs/dbraw/zinc/08/14/90/212081490.db2.gz NJEWXZOIORQWDL-FLFQWRMESA-N 0 0 383.948 5.871 50 0 GKAARN CCc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)cc1 ZINC000008782976 212075422 /nfs/dbraw/zinc/07/54/22/212075422.db2.gz XUBPCWKKQZBLGO-RUZDIDTESA-N 0 0 385.551 6.973 50 0 GKAARN CC[C@H]1CCc2c(c(-c3cccnc3)nc3c(-c4ccc(Cl)cc4)cnn32)C1 ZINC000096191624 212074823 /nfs/dbraw/zinc/07/48/23/212074823.db2.gz RGOVVBIPDYGOGW-HNNXBMFYSA-N 0 0 388.902 5.627 50 0 GKAARN Cc1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)C[C@@H](C)CC4)n2)cc1 ZINC000005275070 212065084 /nfs/dbraw/zinc/06/50/84/212065084.db2.gz OBGAXWFXMVCMLS-LBPRGKRZSA-N 0 0 377.435 5.448 50 0 GKAARN Cc1cc2c(c(SCc3ccccc3)n1)C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000001405551 212060842 /nfs/dbraw/zinc/06/08/42/212060842.db2.gz JIBAWMUHOPFXAV-UHFFFAOYSA-N 0 0 388.492 5.100 50 0 GKAARN COc1ccccc1OC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000001173027 212060131 /nfs/dbraw/zinc/06/01/31/212060131.db2.gz HSDMYUNSVFEPJJ-UHFFFAOYSA-N 0 0 383.447 5.746 50 0 GKAARN COc1cccc([C@H]2CCN2C(=O)c2cccc(-c3nc(C)c(C)s3)c2)c1 ZINC000299760517 212033144 /nfs/dbraw/zinc/03/31/44/212033144.db2.gz VHQNRNCWCKSQQK-HXUWFJFHSA-N 0 0 378.497 5.023 50 0 GKAARN O=C(Nc1nc(-c2ncc(C(F)(F)F)cc2Cl)cs1)c1ccccc1 ZINC000263639675 212031938 /nfs/dbraw/zinc/03/19/38/212031938.db2.gz DCUXVAVIZWAICE-UHFFFAOYSA-N 0 0 383.782 5.130 50 0 GKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000257348707 212029770 /nfs/dbraw/zinc/02/97/70/212029770.db2.gz IBDXZWQCLMSDKQ-MTJUZFGLSA-N 0 0 386.664 7.079 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC[C@H](O)[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348467 212029294 /nfs/dbraw/zinc/02/92/94/212029294.db2.gz FVBJWENATSMJIB-UEEAMBKYSA-N 0 0 388.680 7.469 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348702 212029370 /nfs/dbraw/zinc/02/93/70/212029370.db2.gz IANFNNPXOUVDGW-JFDBKMBYSA-N 0 0 388.680 7.469 50 0 GKAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CC[C@H]2CO ZINC000257358813 212030151 /nfs/dbraw/zinc/03/01/51/212030151.db2.gz WPTDETXWCXSTFC-VCZVVLMXSA-N 0 0 388.592 5.470 50 0 GKAARN Cc1ccc(COC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000002141640 203778900 /nfs/dbraw/zinc/77/89/00/203778900.db2.gz LCZLJHBBKNGIGU-UHFFFAOYSA-N 0 0 398.500 6.619 50 0 GKAARN O=C(C/C=C\c1cccc(F)c1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000096055577 203833338 /nfs/dbraw/zinc/83/33/38/203833338.db2.gz GGAFAILOPLPEQR-DJWKRKHSSA-N 0 0 380.444 5.182 50 0 GKAARN COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC(F)F ZINC000000652873 203845261 /nfs/dbraw/zinc/84/52/61/203845261.db2.gz IATJORQYHOKRSX-UHFFFAOYSA-N 0 0 385.366 5.341 50 0 GKAARN Cc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)c(Br)c1 ZINC000000647093 203845399 /nfs/dbraw/zinc/84/53/99/203845399.db2.gz BDMDDTSETKKTLI-UHFFFAOYSA-N 0 0 389.076 5.082 50 0 GKAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C)cc4C)c(N)c3cc2C1 ZINC000000661836 203847011 /nfs/dbraw/zinc/84/70/11/203847011.db2.gz KXUNIBYKEWONEK-CQSZACIVSA-N 0 0 379.529 5.263 50 0 GKAARN CCOC(=O)c1c2cc(OC(=O)c3ccccc3)ccc2oc1-c1ccccc1 ZINC000000634547 203821919 /nfs/dbraw/zinc/82/19/19/203821919.db2.gz QBVYNVNLGVKWGT-UHFFFAOYSA-N 0 0 386.403 5.496 50 0 GKAARN CCOC(=O)c1c2cc(OCc3ccccc3Cl)ccc2oc1C(C)(C)C ZINC000001756208 203824363 /nfs/dbraw/zinc/82/43/63/203824363.db2.gz 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/nfs/dbraw/zinc/85/11/31/203851131.db2.gz DJEITZHLQXZPTN-UHFFFAOYSA-N 0 0 397.265 5.288 50 0 GKAARN O=C(Nc1cc2ccccc2cc1NC(=O)c1cccs1)c1cccs1 ZINC000000802354 203854412 /nfs/dbraw/zinc/85/44/12/203854412.db2.gz MPSOYNUZFMKBKM-UHFFFAOYSA-N 0 0 378.478 5.467 50 0 GKAARN Cc1cc(Nc2ccc(F)cc2)nc(SCc2c(Cl)cccc2Cl)n1 ZINC000000832567 203856942 /nfs/dbraw/zinc/85/69/42/203856942.db2.gz NIPBXWIGJLKWHV-UHFFFAOYSA-N 0 0 394.302 6.267 50 0 GKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c1 ZINC000001208613 203896827 /nfs/dbraw/zinc/89/68/27/203896827.db2.gz ORRWIWZMZVRYEK-UHFFFAOYSA-N 0 0 394.430 5.909 50 0 GKAARN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)nc2c1 ZINC000000848905 203859235 /nfs/dbraw/zinc/85/92/35/203859235.db2.gz GXXXVOCPIFTQKL-BYIUCRAPSA-N 0 0 386.451 6.253 50 0 GKAARN O=C(CCc1c[nH]c2ccccc12)N(CCc1ccccc1)Cc1cccs1 ZINC000009514253 203861910 /nfs/dbraw/zinc/86/19/10/203861910.db2.gz OFINGKLLICXGMA-UHFFFAOYSA-N 0 0 388.536 5.434 50 0 GKAARN 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/nfs/dbraw/zinc/61/21/75/204612175.db2.gz QLXOTQKHLIIUDJ-KRWDZBQOSA-N 0 0 379.378 5.425 50 0 GKAARN Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2cccs2)cc1 ZINC000019324607 204636632 /nfs/dbraw/zinc/63/66/32/204636632.db2.gz XXOYMPFUKVYOHU-UHFFFAOYSA-N 0 0 384.495 5.433 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n3nc(-c4ccccc4)cc3n2)cc1 ZINC000252501549 211984541 /nfs/dbraw/zinc/98/45/41/211984541.db2.gz UHFHLTRIKRSPGT-UHFFFAOYSA-N 0 0 375.475 6.347 50 0 GKAARN CC[C@@H](CNc1cccc(OCCCc2ccccc2)c1)Oc1cccc(C)c1 ZINC000019738508 204678309 /nfs/dbraw/zinc/67/83/09/204678309.db2.gz JGOSDFJUXGMQQN-DEOSSOPVSA-N 0 0 389.539 6.276 50 0 GKAARN COc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 ZINC000020494569 204723191 /nfs/dbraw/zinc/72/31/91/204723191.db2.gz PJGYXTYULLBTEH-HSZRJFAPSA-N 0 0 381.435 5.015 50 0 GKAARN O=C(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000020605223 204731215 /nfs/dbraw/zinc/73/12/15/204731215.db2.gz ILBXHMLHMLGBPH-HSZRJFAPSA-N 0 0 386.882 5.609 50 0 GKAARN CC[C@@H](C)n1c2nc(-c3cccc(OC)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603554 204731536 /nfs/dbraw/zinc/73/15/36/204731536.db2.gz OZTRGTOWULTHNE-SNVBAGLBSA-N 0 0 391.443 5.038 50 0 GKAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000020604840 204732295 /nfs/dbraw/zinc/73/22/95/204732295.db2.gz WBJRJXPMVYVREH-UHFFFAOYSA-N 0 0 391.780 5.720 50 0 GKAARN COc1cccc(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)c1 ZINC000020605369 204732322 /nfs/dbraw/zinc/73/23/22/204732322.db2.gz BBPXMESFGXELKU-UHFFFAOYSA-N 0 0 387.336 5.254 50 0 GKAARN O=C(CCc1ccc(F)cc1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000020607952 204732333 /nfs/dbraw/zinc/73/23/33/204732333.db2.gz JEJTWYQJYBLNIF-UHFFFAOYSA-N 0 0 384.520 5.321 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000020808350 204740891 /nfs/dbraw/zinc/74/08/91/204740891.db2.gz GYBYOOHILJRXGK-UHFFFAOYSA-N 0 0 394.499 6.677 50 0 GKAARN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020852572 204740914 /nfs/dbraw/zinc/74/09/14/204740914.db2.gz CTUSXTGZDIXCBJ-LJQANCHMSA-N 0 0 397.812 5.870 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(C)cc4)sc3nc2c1Cl ZINC000021087682 204753044 /nfs/dbraw/zinc/75/30/44/204753044.db2.gz XQDQLFWJAWTTTH-UHFFFAOYSA-N 0 0 382.872 5.672 50 0 GKAARN COc1ccc(-c2cc3nc(C)cc(Nc4cccc(Cl)c4)n3n2)cc1OC ZINC000021150279 204753350 /nfs/dbraw/zinc/75/33/50/204753350.db2.gz CEQRZSYVAAWGRI-UHFFFAOYSA-N 0 0 394.862 5.119 50 0 GKAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000021163863 204753629 /nfs/dbraw/zinc/75/36/29/204753629.db2.gz JPUFJBSJXUZQDB-DEOSSOPVSA-N 0 0 381.479 5.656 50 0 GKAARN Cc1oc(C)c2c1c(=O)cc(-c1cccs1)cc2OC(=O)c1ccc(C)cc1 ZINC000021785505 204764117 /nfs/dbraw/zinc/76/41/17/204764117.db2.gz VBNIORJRTUWUJY-UHFFFAOYSA-N 0 0 390.460 5.666 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000032925358 211944159 /nfs/dbraw/zinc/94/41/59/211944159.db2.gz YTHYRSUCFKGAPP-CQSZACIVSA-N 0 0 375.310 5.627 50 0 GKAARN CCc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000064567900 211952389 /nfs/dbraw/zinc/95/23/89/211952389.db2.gz HZAXZDUULHEXMB-UHFFFAOYSA-N 0 0 379.460 5.349 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C ZINC000021914472 204769033 /nfs/dbraw/zinc/76/90/33/204769033.db2.gz GCDIVOUPYDHQPF-UHFFFAOYSA-N 0 0 398.510 5.445 50 0 GKAARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCc3ccccc3Cl)c2c1 ZINC000021934315 204770499 /nfs/dbraw/zinc/77/04/99/204770499.db2.gz WFUTYQSHAWHJGI-UHFFFAOYSA-N 0 0 387.870 5.189 50 0 GKAARN CCC[C@@H]1CCc2c(sc(NC(=O)CC3CCCC3)c2C(=O)OCC)C1 ZINC000022330292 204779077 /nfs/dbraw/zinc/77/90/77/204779077.db2.gz SCQQUMHPXHWUGO-CQSZACIVSA-N 0 0 377.550 5.349 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935124 211946620 /nfs/dbraw/zinc/94/66/20/211946620.db2.gz OLNSRAXBIPUINT-QHCPKHFHSA-N 0 0 392.474 5.379 50 0 GKAARN Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@H](C)CCC(C)C)cc1 ZINC000022671804 204786384 /nfs/dbraw/zinc/78/63/84/204786384.db2.gz VMQFCMIRGXGECY-LJQANCHMSA-N 0 0 375.516 5.402 50 0 GKAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)c1 ZINC000021715755 204762338 /nfs/dbraw/zinc/76/23/38/204762338.db2.gz DMTNFGCQHOUBQF-RUZDIDTESA-N 0 0 396.490 5.355 50 0 GKAARN O=C(COc1ccc(Cl)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000023320147 204801960 /nfs/dbraw/zinc/80/19/60/204801960.db2.gz PNGFEKSLDDNKIK-HSZRJFAPSA-N 0 0 395.861 5.032 50 0 GKAARN O=C(c1cc(F)ccc1F)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023331144 204803112 /nfs/dbraw/zinc/80/31/12/204803112.db2.gz GRZQSESVPYZWDB-NRFANRHFSA-N 0 0 383.825 5.406 50 0 GKAARN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)n[nH]2)c1 ZINC000023432437 204807250 /nfs/dbraw/zinc/80/72/50/204807250.db2.gz UFKRXDVYZDXVSA-QGZVFWFLSA-N 0 0 397.478 5.243 50 0 GKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCCc1nc2ccccc2s1 ZINC000032753936 211942048 /nfs/dbraw/zinc/94/20/48/211942048.db2.gz HBEIPTSRKMGWKX-OAHLLOKOSA-N 0 0 378.497 5.585 50 0 GKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(CC)cc3)=NN21 ZINC000025782123 204836662 /nfs/dbraw/zinc/83/66/62/204836662.db2.gz IVWNHXWIRJEEMU-JYFHCDHNSA-N 0 0 398.506 5.890 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000024259106 204819141 /nfs/dbraw/zinc/81/91/41/204819141.db2.gz VHYQIPDMMRQEQV-UHFFFAOYSA-N 0 0 387.405 5.323 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1cccs1)c1ccc(Cl)cc1 ZINC000027747677 204861926 /nfs/dbraw/zinc/86/19/26/204861926.db2.gz BBIZVAKOGKYNSQ-UHFFFAOYSA-N 0 0 381.884 6.303 50 0 GKAARN O=C(CCc1c(Cl)cccc1Cl)NCc1cncc(-c2cccs2)c1 ZINC000225665082 211914115 /nfs/dbraw/zinc/91/41/15/211914115.db2.gz OXZCXULLEHSIKD-UHFFFAOYSA-N 0 0 391.323 5.366 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000040098053 204872607 /nfs/dbraw/zinc/87/26/07/204872607.db2.gz BDNZALQVTDGCSO-UHFFFAOYSA-N 0 0 375.310 5.545 50 0 GKAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)cc1 ZINC000028292481 204872799 /nfs/dbraw/zinc/87/27/99/204872799.db2.gz 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ZINC000029098746 211903536 /nfs/dbraw/zinc/90/35/36/211903536.db2.gz BDBWMSFGEHJVOI-QGZVFWFLSA-N 0 0 399.519 5.693 50 0 GKAARN O=C([C@H]1CC=CCC1)N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000040113248 204874818 /nfs/dbraw/zinc/87/48/18/204874818.db2.gz BWVCMYRAIVJCLG-AWEZNQCLSA-N 0 0 394.462 5.377 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)NC1c2ccccc2-c2ccccc21 ZINC000032752733 204917782 /nfs/dbraw/zinc/91/77/82/204917782.db2.gz CFAJGKWVCKGBPO-UHFFFAOYSA-N 0 0 397.503 5.055 50 0 GKAARN Cc1ccc(-c2nc(CS[C@@H](C)C(=O)NCc3cccs3)cs2)cc1 ZINC000031412017 204903047 /nfs/dbraw/zinc/90/30/47/204903047.db2.gz RWQKPDJDRJZAAT-AWEZNQCLSA-N 0 0 388.583 5.118 50 0 GKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1ccccc1F)CC(=O)N2 ZINC000032073551 204908657 /nfs/dbraw/zinc/90/86/57/204908657.db2.gz FYARPQRLFGXBHO-HNNXBMFYSA-N 0 0 398.434 5.711 50 0 GKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccc(C)cc3)cc21 ZINC000032986444 204936502 /nfs/dbraw/zinc/93/65/02/204936502.db2.gz DQBPVLALHLDJRL-UHFFFAOYSA-N 0 0 396.490 5.539 50 0 GKAARN COc1ccc(NC(=O)CCC2CCCC2)cc1NC(=O)c1ccccc1C ZINC000032998355 204938602 /nfs/dbraw/zinc/93/86/02/204938602.db2.gz JBBXXYYVLUQMHZ-UHFFFAOYSA-N 0 0 380.488 5.165 50 0 GKAARN Clc1ccccc1-c1noc(CSc2ccc(-c3ccccc3)nn2)n1 ZINC000033021876 204939342 /nfs/dbraw/zinc/93/93/42/204939342.db2.gz JFGHZQVHEWTSGB-UHFFFAOYSA-N 0 0 380.860 5.139 50 0 GKAARN CC(C)[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1cccs1 ZINC000033052749 204942884 /nfs/dbraw/zinc/94/28/84/204942884.db2.gz GIFQYFGIXLHKBN-QFIPXVFZSA-N 0 0 387.508 5.485 50 0 GKAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)Nc1ccccc1Oc1ccccc1)c3=O ZINC000033088937 204945363 /nfs/dbraw/zinc/94/53/63/204945363.db2.gz DQHINDACDBFAHJ-INIZCTEOSA-N 0 0 396.446 5.163 50 0 GKAARN Cc1c(C(=O)Nc2cc(C)ccc2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084367 204946278 /nfs/dbraw/zinc/94/62/78/204946278.db2.gz IRZBQGGFNJPMAN-UHFFFAOYSA-N 0 0 394.544 5.168 50 0 GKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)Cc2cccs2)cc1 ZINC000033115585 204946419 /nfs/dbraw/zinc/94/64/19/204946419.db2.gz 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CCc1cccc2c([C@H](CC(=O)NCc3ccncc3)C3CCCCC3)c[nH]c21 ZINC000096278246 211329517 /nfs/dbraw/zinc/32/95/17/211329517.db2.gz ORALMNSDZJEILH-JOCHJYFZSA-N 0 0 389.543 5.496 50 0 GKAARN Cc1ccc(-c2noc(CCN(CC(C)C)C(=O)c3ccccc3Cl)n2)cc1 ZINC000096278367 211329183 /nfs/dbraw/zinc/32/91/83/211329183.db2.gz KJRJXNPCKWMIDS-UHFFFAOYSA-N 0 0 397.906 5.039 50 0 GKAARN COc1ccc([C@@H](CC(N)=O)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275347 211328522 /nfs/dbraw/zinc/32/85/22/211328522.db2.gz IMIQPVRKOGNDOK-HSZRJFAPSA-N 0 0 398.506 5.014 50 0 GKAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276144 211327751 /nfs/dbraw/zinc/32/77/51/211327751.db2.gz KTZZTANUASETML-KBXCAEBGSA-N 0 0 383.879 5.216 50 0 GKAARN CC(C)Cc1nn(-c2ccccc2Cl)c(C(C)C)c1C(=O)N1CCCCC1 ZINC000006770605 206674705 /nfs/dbraw/zinc/67/47/05/206674705.db2.gz MOWUNDPCVOKQAS-UHFFFAOYSA-N 0 0 387.955 5.474 50 0 GKAARN Cc1ccc2c(cccc2-c2nn3c(nnc3-c3cc4ccccc4o3)s2)n1 ZINC000096194016 211318348 /nfs/dbraw/zinc/31/83/48/211318348.db2.gz NJHLKJQNWBCNMI-UHFFFAOYSA-N 0 0 383.436 5.123 50 0 GKAARN Cc1ccc(Sc2c3ccccc3[nH]c2C(=O)NCCC2=CCCCC2)cc1 ZINC000006798766 206677805 /nfs/dbraw/zinc/67/78/05/206677805.db2.gz MDPADSKCZXROLA-UHFFFAOYSA-N 0 0 390.552 6.248 50 0 GKAARN Cc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)cc3sc(=O)oc32)cc1 ZINC000006809665 206681114 /nfs/dbraw/zinc/68/11/14/206681114.db2.gz XSKYTJYPEFCWGZ-UHFFFAOYSA-N 0 0 380.396 5.188 50 0 GKAARN O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096222396 211319895 /nfs/dbraw/zinc/31/98/95/211319895.db2.gz FGAPDVIEEVNCHU-HXUWFJFHSA-N 0 0 391.902 5.429 50 0 biogenic GKAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)c(F)c2)n1-c1ccc(Cl)cc1 ZINC000096095923 211301226 /nfs/dbraw/zinc/30/12/26/211301226.db2.gz BMFGMNRIBZLILQ-SDQBBNPISA-N 0 0 394.808 5.488 50 0 GKAARN C[C@@H](C(=O)N1CCC(CCCn2ccnc2)CC1)c1c(Cl)cccc1Cl ZINC000096008817 211294079 /nfs/dbraw/zinc/29/40/79/211294079.db2.gz GLCVVNWOVZHVCU-OAHLLOKOSA-N 0 0 394.346 5.012 50 0 GKAARN CC(C)c1nc(CN(C)C(=O)Nc2ccc(OCc3ccco3)cc2)cs1 ZINC000096137149 211306707 /nfs/dbraw/zinc/30/67/07/211306707.db2.gz FYZSDSYGVFCIEJ-UHFFFAOYSA-N 0 0 385.489 5.102 50 0 GKAARN Cc1sc(NC(=O)c2ncccc2C(F)(F)F)nc1-c1ccc(Cl)cc1 ZINC000095983260 211290755 /nfs/dbraw/zinc/29/07/55/211290755.db2.gz GHFFAXSIVVOXAS-UHFFFAOYSA-N 0 0 397.809 5.438 50 0 GKAARN COc1ccc(C[S@@](=O)[C@@H](C)c2cccs2)cc1SC(F)(F)F ZINC000095962089 211289251 /nfs/dbraw/zinc/28/92/51/211289251.db2.gz OKNWIZHOQRDXDU-VCGICTTQSA-N 0 0 380.478 5.379 50 0 GKAARN Cc1c(COC(C)C)cccc1NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000095968171 211288933 /nfs/dbraw/zinc/28/89/33/211288933.db2.gz OCDACLBURFYEFT-IBGZPJMESA-N 0 0 394.437 5.215 50 0 GKAARN C[C@@H]1CCc2c(C(=O)Nc3ccc(Sc4nncs4)cc3)csc2C1 ZINC000095953901 211286046 /nfs/dbraw/zinc/28/60/46/211286046.db2.gz BUMIIGXTSZOWEH-LLVKDONJSA-N 0 0 387.555 5.128 50 0 GKAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(SCc3ccco3)cc2)on1 ZINC000095524805 211270878 /nfs/dbraw/zinc/27/08/78/211270878.db2.gz FZRZJWGKNJSNSJ-GOSISDBHSA-N 0 0 383.473 5.237 50 0 GKAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccccc3)c3ccsc3)c21 ZINC000095476225 211247532 /nfs/dbraw/zinc/24/75/32/211247532.db2.gz JEYPRDBULHNWPZ-GOSISDBHSA-N 0 0 390.508 5.076 50 0 GKAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCCC[C@@H]1c1cccnc1 ZINC000095385028 211234709 /nfs/dbraw/zinc/23/47/09/211234709.db2.gz YMSIOYCYPIBNBO-XMMPIXPASA-N 0 0 394.478 5.059 50 0 GKAARN CCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1 ZINC000006835053 206684621 /nfs/dbraw/zinc/68/46/21/206684621.db2.gz AIGGHLPDRYRFEB-QHCPKHFHSA-N 0 0 396.556 5.683 50 0 GKAARN Cc1ccc(NC(=S)N(Cc2cccs2)c2ccc(F)cc2F)cc1F ZINC000095364753 211225901 /nfs/dbraw/zinc/22/59/01/211225901.db2.gz REYXFTJIWAHQJE-UHFFFAOYSA-N 0 0 392.471 5.877 50 0 GKAARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)C(C)C)c3cccc(OC)c3)c[nH]c21 ZINC000006837048 206684762 /nfs/dbraw/zinc/68/47/62/206684762.db2.gz BMYJJIKRMDIEDU-VGSWGCGISA-N 0 0 392.543 5.422 50 0 GKAARN Cc1cc(C(F)(F)F)cc(-c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000091695639 211203332 /nfs/dbraw/zinc/20/33/32/211203332.db2.gz APNAYJDWRXPGNG-UHFFFAOYSA-N 0 0 390.792 5.982 50 0 GKAARN Cc1ccccc1Cn1cc(CCC(=O)N[C@H](C)c2ccccc2)c2ccccc21 ZINC000006858297 206686533 /nfs/dbraw/zinc/68/65/33/206686533.db2.gz SNTHGKDIJMAJPW-OAQYLSRUSA-N 0 0 396.534 5.808 50 0 GKAARN CCC[C@@H](c1ccccn1)N(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089949768 211187394 /nfs/dbraw/zinc/18/73/94/211187394.db2.gz KMMMWGRFVNPPBK-KRWDZBQOSA-N 0 0 399.844 5.166 50 0 GKAARN O=C(Cc1ccc(C(F)(F)F)cc1)Oc1ccc(C2SCCS2)cc1 ZINC000089783504 211184344 /nfs/dbraw/zinc/18/43/44/211184344.db2.gz IOVNXTGDQOEFJS-UHFFFAOYSA-N 0 0 384.444 5.332 50 0 GKAARN Cc1ccsc1-c1nnc(SCc2c[nH]c(-c3ccc(Cl)cc3)n2)o1 ZINC000089702066 211183338 /nfs/dbraw/zinc/18/33/38/211183338.db2.gz RUKGMFWWJOUPCE-UHFFFAOYSA-N 0 0 388.905 5.442 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649719 211178225 /nfs/dbraw/zinc/17/82/25/211178225.db2.gz KWIJBBSYDIOTPP-UHFFFAOYSA-N 0 0 384.414 5.279 50 0 GKAARN CCOc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(CC)cc2)cc1 ZINC000085808447 211177622 /nfs/dbraw/zinc/17/76/22/211177622.db2.gz FCGDQFJVQXRSRW-UHFFFAOYSA-N 0 0 399.494 6.440 50 0 GKAARN CC[C@@H](C)N1C(=O)CC[C@@H]1c1c2ccccc2[nH]c1-c1cc(OC)ccc1OC ZINC000085430357 211176480 /nfs/dbraw/zinc/17/64/80/211176480.db2.gz WNDHEIOUQWRYIX-FOIQADDNSA-N 0 0 392.499 5.314 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2cccc(OC(C)C)c2)S1 ZINC000085411870 211175557 /nfs/dbraw/zinc/17/55/57/211175557.db2.gz LJSJAOSIJIJXDM-LJQANCHMSA-N 0 0 385.533 5.355 50 0 GKAARN CC(C)c1nc([C@@H](C)Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cs1 ZINC000084630941 211172128 /nfs/dbraw/zinc/17/21/28/211172128.db2.gz CTVSMKXDNYUYIN-LLVKDONJSA-N 0 0 393.438 5.310 50 0 GKAARN CC(C)Cc1nnc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)s1 ZINC000084575254 211170436 /nfs/dbraw/zinc/17/04/36/211170436.db2.gz UFXSPDOUVSZAKF-UONOGXRCSA-N 0 0 398.557 5.035 50 0 GKAARN O=C(c1nccc2ccccc21)N1CCCN(Cc2ccccc2)c2ccccc21 ZINC000084536030 211170096 /nfs/dbraw/zinc/17/00/96/211170096.db2.gz JTFZFDGBJPFNEE-UHFFFAOYSA-N 0 0 393.490 5.292 50 0 GKAARN Cc1ccc(OC[C@H](O)Cn2c3ccccc3nc2C2CCCCC2)cc1C ZINC000082087075 211159915 /nfs/dbraw/zinc/15/99/15/211159915.db2.gz RXRIRGGKCJNWMU-HXUWFJFHSA-N 0 0 378.516 5.141 50 0 GKAARN Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000080344321 211158140 /nfs/dbraw/zinc/15/81/40/211158140.db2.gz KHKRJTQBZQLJFF-KGLIPLIRSA-N 0 0 377.296 5.654 50 0 GKAARN Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000080344323 211157945 /nfs/dbraw/zinc/15/79/45/211157945.db2.gz KHKRJTQBZQLJFF-UONOGXRCSA-N 0 0 377.296 5.654 50 0 GKAARN O=C1CS[C@H](c2ccc(Br)s2)c2cnn(C3CCCC3)c2N1 ZINC000079475474 211155791 /nfs/dbraw/zinc/15/57/91/211155791.db2.gz HWOYJVKTQKOFJD-AWEZNQCLSA-N 0 0 398.351 5.246 50 0 GKAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccn2)cc1 ZINC000083867769 211165026 /nfs/dbraw/zinc/16/50/26/211165026.db2.gz NNHBEQFSCCWRDJ-UHFFFAOYSA-N 0 0 392.846 5.214 50 0 GKAARN CCCc1nn(-c2ccc(Cl)c(Cl)c2)c(CC)c1C(=O)N1CCCCC1 ZINC000006873193 206687536 /nfs/dbraw/zinc/68/75/36/206687536.db2.gz GBKAOKDRMLCFIR-UHFFFAOYSA-N 0 0 394.346 5.320 50 0 GKAARN Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nn1 ZINC000072441445 211121034 /nfs/dbraw/zinc/12/10/34/211121034.db2.gz YBZRNDWQFJORIK-UHFFFAOYSA-N 0 0 388.349 5.240 50 0 GKAARN Cc1cc2n(n1)CCCN(Cc1cc3cccc(C)c3nc1-c1cccs1)C2 ZINC000072426857 211118686 /nfs/dbraw/zinc/11/86/86/211118686.db2.gz FYNKPZLDFFHTNY-UHFFFAOYSA-N 0 0 388.540 5.183 50 0 GKAARN CCn1ccnc1CN(C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072422861 211116798 /nfs/dbraw/zinc/11/67/98/211116798.db2.gz SAIFIWGGMSURRH-UHFFFAOYSA-N 0 0 376.529 5.120 50 0 GKAARN COc1ccc2cc(CN(C)[C@@H](C)c3ccon3)c(-c3cccc(C)c3)nc2c1 ZINC000072408509 211113653 /nfs/dbraw/zinc/11/36/53/211113653.db2.gz MQUKVCCRKVXCOE-KRWDZBQOSA-N 0 0 387.483 5.400 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000072333684 211091394 /nfs/dbraw/zinc/09/13/94/211091394.db2.gz JGVQHANDRQCSGC-IBGZPJMESA-N 0 0 395.434 5.313 50 0 GKAARN CCC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000072332666 211091331 /nfs/dbraw/zinc/09/13/31/211091331.db2.gz KEKGRYUAMWIIKX-ICSRJNTNSA-N 0 0 385.305 5.509 50 0 GKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(CC2CCC2)CC(F)(F)F)s1 ZINC000072314247 211088865 /nfs/dbraw/zinc/08/88/65/211088865.db2.gz AIQSOWRRAIJQRT-UHFFFAOYSA-N 0 0 396.478 5.160 50 0 GKAARN Cc1c(Cl)ccc2c(C(=O)N3CCC(C)CC3)cc(-c3ccccn3)nc12 ZINC000006921201 206694204 /nfs/dbraw/zinc/69/42/04/206694204.db2.gz HGVOQLXRTVBKLV-UHFFFAOYSA-N 0 0 379.891 5.131 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000006939919 206695428 /nfs/dbraw/zinc/69/54/28/206695428.db2.gz AKTSUBJMPWNUEL-UHFFFAOYSA-N 0 0 394.837 5.016 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccccc3C)cc12 ZINC000006913289 206693110 /nfs/dbraw/zinc/69/31/10/206693110.db2.gz MHYIMHBTVPNSFG-UHFFFAOYSA-N 0 0 382.507 5.545 50 0 GKAARN CC(C)c1nc(CSc2n[nH]c(-c3ccccc3Br)n2)cs1 ZINC000071846650 211064255 /nfs/dbraw/zinc/06/42/55/211064255.db2.gz SDGSJOFHULSUMG-UHFFFAOYSA-N 0 0 395.351 5.106 50 0 GKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000071804989 211063845 /nfs/dbraw/zinc/06/38/45/211063845.db2.gz ARXVRAYUTZXWAH-UHFFFAOYSA-N 0 0 384.407 5.319 50 0 GKAARN O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000071887396 211063943 /nfs/dbraw/zinc/06/39/43/211063943.db2.gz WDUSKVPWSCIVGG-HOTGVXAUSA-N 0 0 388.414 5.571 50 0 GKAARN Cc1nc(CN(C(=O)c2cc(C)nc3ccccc32)c2ccc(F)cc2)cs1 ZINC000069927176 211041341 /nfs/dbraw/zinc/04/13/41/211041341.db2.gz AZGHVTUKGLONPA-UHFFFAOYSA-N 0 0 391.471 5.294 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)NCCCc2ccccc2)s1 ZINC000071326568 211045165 /nfs/dbraw/zinc/04/51/65/211045165.db2.gz BLMHKFQFSRPVGC-UHFFFAOYSA-N 0 0 379.529 5.120 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCc1ccc(Cl)cc1 ZINC000071326620 211045072 /nfs/dbraw/zinc/04/50/72/211045072.db2.gz YSYURUDPOGGBGW-UHFFFAOYSA-N 0 0 385.920 5.395 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc(OCc3cccnc3)c2)S1 ZINC000071286483 211043758 /nfs/dbraw/zinc/04/37/58/211043758.db2.gz MBFXWGZYXPXNAW-LJQANCHMSA-N 0 0 394.500 5.030 50 0 GKAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2ccc(C)cc2nc1Cl ZINC000069949587 211040949 /nfs/dbraw/zinc/04/09/49/211040949.db2.gz QNRGELAZXQKALP-HXUWFJFHSA-N 0 0 381.838 5.033 50 0 GKAARN O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cc(Cl)ccc1Cl ZINC000090613624 211038988 /nfs/dbraw/zinc/03/89/88/211038988.db2.gz KYEYNGLBVXZHHL-INIZCTEOSA-N 0 0 398.336 5.128 50 0 GKAARN COc1ccc(F)cc1CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007790925 206725622 /nfs/dbraw/zinc/72/56/22/206725622.db2.gz PHFIGUFLJKYILR-UHFFFAOYSA-N 0 0 394.475 5.201 50 0 GKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc2cccnc21 ZINC000008277773 206743947 /nfs/dbraw/zinc/74/39/47/206743947.db2.gz DMWLNESUSLCJRU-UHFFFAOYSA-N 0 0 381.229 5.304 50 0 GKAARN Cc1cccc(-n2c3ccccc3nc2SCc2cn3ccsc3n2)c1 ZINC000008656900 206758374 /nfs/dbraw/zinc/75/83/74/206758374.db2.gz BCJNLKDBJKQXOH-UHFFFAOYSA-N 0 0 376.510 5.335 50 0 GKAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008656894 206758747 /nfs/dbraw/zinc/75/87/47/206758747.db2.gz NIBKLEOQERPEDY-LJQANCHMSA-N 0 0 399.469 5.053 50 0 GKAARN COc1ccc(N(Cc2cccs2)C(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000008586691 206756374 /nfs/dbraw/zinc/75/63/74/206756374.db2.gz DSNUBNGTJGRUQS-UHFFFAOYSA-N 0 0 395.524 5.639 50 0 aggregator GKAARN Cc1ccc(-c2cc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)on2)cc1 ZINC000008915732 206767444 /nfs/dbraw/zinc/76/74/44/206767444.db2.gz OHIJOYDCDSPWKZ-MRXNPFEDSA-N 0 0 378.472 5.354 50 0 GKAARN C[C@@H](Sc1nnc(NC2CCCCC2)s1)c1nnc(-c2cccs2)o1 ZINC000008943454 206769561 /nfs/dbraw/zinc/76/95/61/206769561.db2.gz PFDFXLLRRUBBFS-SNVBAGLBSA-N 0 0 393.563 5.248 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)/C=C/c3cc4ccc(C)cc4o3)s2)cc1 ZINC000067339748 211008735 /nfs/dbraw/zinc/00/87/35/211008735.db2.gz SZKKMYVLSXOCEH-MDZDMXLPSA-N 0 0 388.492 5.749 50 0 GKAARN Clc1cccc(-c2nnn3c2nc(NC2CCCCC2)c2ccccc23)c1 ZINC000067261444 211007373 /nfs/dbraw/zinc/00/73/73/211007373.db2.gz CCTSLALNZDZENY-UHFFFAOYSA-N 0 0 377.879 5.343 50 0 GKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067296326 211007386 /nfs/dbraw/zinc/00/73/86/211007386.db2.gz MOLYWWMIDKIBMB-DAFNUICNSA-N 0 0 393.805 5.105 50 0 GKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(C)C)c2)n1 ZINC000067296674 211007395 /nfs/dbraw/zinc/00/73/95/211007395.db2.gz YCCOIVLJGSRWTN-RFBIWTDZSA-N 0 0 397.478 5.744 50 0 GKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F ZINC000067297399 211006664 /nfs/dbraw/zinc/00/66/64/211006664.db2.gz MSBNQUIIWSVTAH-ROMGYVFFSA-N 0 0 376.362 5.196 50 0 GKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3ccccc3C)cc2c1 ZINC000009463363 206788386 /nfs/dbraw/zinc/78/83/86/206788386.db2.gz WHTMSSFRRYUWGX-UHFFFAOYSA-N 0 0 388.511 5.258 50 0 GKAARN COc1ccc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)cc1Cl ZINC000009528636 206790195 /nfs/dbraw/zinc/79/01/95/206790195.db2.gz MSVFJBBSLDMYAY-UHFFFAOYSA-N 0 0 382.872 5.672 50 0 GKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1cccc(F)c1 ZINC000009575386 206792407 /nfs/dbraw/zinc/79/24/07/206792407.db2.gz IREOUWFPBCJRSJ-IBGZPJMESA-N 0 0 393.462 5.622 50 0 GKAARN O=C(NCCC1=CCCCC1)c1cc(OCc2ccccc2)nc2ccccc21 ZINC000009587769 206793109 /nfs/dbraw/zinc/79/31/09/206793109.db2.gz FSWYXEGSFLMEQX-UHFFFAOYSA-N 0 0 386.495 5.434 50 0 GKAARN Fc1ccccc1[C@@H](Nc1cccc(Cl)c1)c1nnc(-c2ccccc2)o1 ZINC000009645643 206794340 /nfs/dbraw/zinc/79/43/40/206794340.db2.gz ZBCKSFJBPRMKPX-LJQANCHMSA-N 0 0 379.822 5.731 50 0 GKAARN Cc1sc(CNC(=O)Nc2cccnc2Cl)nc1-c1ccc(Cl)cc1 ZINC000065820682 211000135 /nfs/dbraw/zinc/00/01/35/211000135.db2.gz VDJOUQBWBIXAIN-UHFFFAOYSA-N 0 0 393.299 5.142 50 0 GKAARN CCC[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000036396517 206795981 /nfs/dbraw/zinc/79/59/81/206795981.db2.gz QMRLQASCOIXBDU-LBPRGKRZSA-N 0 0 375.925 5.026 50 0 GKAARN CCCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21 ZINC000009287653 206782054 /nfs/dbraw/zinc/78/20/54/206782054.db2.gz 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CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000012558654 206913006 /nfs/dbraw/zinc/91/30/06/206913006.db2.gz WMMXISPQAKSFIG-UHFFFAOYSA-N 0 0 393.874 5.068 50 0 GKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1 ZINC000012699995 206924724 /nfs/dbraw/zinc/92/47/24/206924724.db2.gz IFWVGAVTUZQTRP-ZDUSSCGKSA-N 0 0 376.485 5.452 50 0 GKAARN O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000012739278 206929416 /nfs/dbraw/zinc/92/94/16/206929416.db2.gz WKPZHVJFRZHZRY-NRFANRHFSA-N 0 0 398.462 5.219 50 0 GKAARN CCC(CC)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012747450 206931126 /nfs/dbraw/zinc/93/11/26/206931126.db2.gz WZBUWXKLSOTBOM-FQEVSTJZSA-N 0 0 396.506 5.106 50 0 GKAARN c1ccc(-c2c3c4c(sc3nc3c2C[C@@H](c2ccccc2)CC3)CCCC4)cc1 ZINC000012970737 206956833 /nfs/dbraw/zinc/95/68/33/206956833.db2.gz VHZGJPVNDCUANO-FQEVSTJZSA-N 0 0 395.571 7.115 50 0 GKAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000012985150 206960245 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Cc1ccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)c(Cl)c1 ZINC000013351280 206974292 /nfs/dbraw/zinc/97/42/92/206974292.db2.gz YEULBUFQAOXBQY-UHFFFAOYSA-N 0 0 375.859 6.441 50 0 GKAARN CN(Cc1ccccc1Cl)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000013071429 206967348 /nfs/dbraw/zinc/96/73/48/206967348.db2.gz BPENOPWILJKZSZ-UHFFFAOYSA-N 0 0 393.343 5.014 50 0 GKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000013382009 206975848 /nfs/dbraw/zinc/97/58/48/206975848.db2.gz UBOFBYIAIZNMQI-YLJYHZDGSA-N 0 0 384.863 5.783 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1ccco1)[C@@H](C)c1ccccn1 ZINC000013544670 206979106 /nfs/dbraw/zinc/97/91/06/206979106.db2.gz HPRHJXDHXQGCNZ-HNNXBMFYSA-N 0 0 385.920 5.597 50 0 GKAARN CCOc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000013551307 206979551 /nfs/dbraw/zinc/97/95/51/206979551.db2.gz LXGVPUXKZDJOLN-UHFFFAOYSA-N 0 0 381.501 5.154 50 0 GKAARN Cc1nc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)sc1CC(N)=O ZINC000048277438 210850069 /nfs/dbraw/zinc/85/00/69/210850069.db2.gz IQXHOMLXFFINFK-GOSISDBHSA-N 0 0 388.945 5.014 50 0 GKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3F)csc21 ZINC000046076524 210835424 /nfs/dbraw/zinc/83/54/24/210835424.db2.gz FSDVOQOGMUAPKL-KRWDZBQOSA-N 0 0 395.499 6.207 50 0 GKAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)cc1 ZINC000046077122 210835143 /nfs/dbraw/zinc/83/51/43/210835143.db2.gz VTWSNPNAUZFDQX-GOSISDBHSA-N 0 0 381.472 5.816 50 0 GKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(SC)cc2)cc1 ZINC000046076181 210834407 /nfs/dbraw/zinc/83/44/07/210834407.db2.gz ZMUMELLYWNAVJY-KRWDZBQOSA-N 0 0 381.522 5.620 50 0 GKAARN Clc1ccc(Cl)c(-c2nn3c(nnc3-c3ccc4ccccc4n3)s2)c1 ZINC000013736061 206996853 /nfs/dbraw/zinc/99/68/53/206996853.db2.gz VMPAQMOMCYUPHV-UHFFFAOYSA-N 0 0 398.278 5.375 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000014109768 207011286 /nfs/dbraw/zinc/01/12/86/207011286.db2.gz JYXDROKAPKYMFC-UHFFFAOYSA-N 0 0 376.790 5.153 50 0 GKAARN CCn1c(SCc2cccc(C)c2)nnc1[C@@H](C)Oc1cccc(Cl)c1 ZINC000014090383 207009099 /nfs/dbraw/zinc/00/90/99/207009099.db2.gz BTIXVNVAOFLZNM-OAHLLOKOSA-N 0 0 387.936 5.692 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 ZINC000014094559 207009396 /nfs/dbraw/zinc/00/93/96/207009396.db2.gz KFSIIOUMWOHHQI-UHFFFAOYSA-N 0 0 398.871 5.109 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C12CC3CC(CC(C3)C1)C2 ZINC000013945656 207003612 /nfs/dbraw/zinc/00/36/12/207003612.db2.gz QGMOVQQLMCWHHH-ZZQKJMNASA-N 0 0 396.534 5.990 50 0 GKAARN CCc1ccc(NC(=O)c2ccccc2SCCOc2ccccc2)cc1 ZINC000013944187 207004302 /nfs/dbraw/zinc/00/43/02/207004302.db2.gz IVOKJGCMQRKHMV-UHFFFAOYSA-N 0 0 377.509 5.672 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C12CC3CC(CC(C3)C1)C2 ZINC000013945657 207005051 /nfs/dbraw/zinc/00/50/51/207005051.db2.gz QGMOVQQLMCWHHH-OQAHHZTMSA-N 0 0 396.534 5.990 50 0 GKAARN Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000013988213 207007169 /nfs/dbraw/zinc/00/71/69/207007169.db2.gz XJJHOIXTPXWGPC-UONOGXRCSA-N 0 0 382.356 5.968 50 0 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OIWPYMMNIYPMQO-UHFFFAOYSA-N 0 0 397.550 5.485 50 0 GKAARN O=C(C=Cc1cccc(C(F)(F)F)c1)OCCCC(=O)c1ccc(F)cc1 ZINC000033761867 210653123 /nfs/dbraw/zinc/65/31/23/210653123.db2.gz VZTNFRLNZZBSGR-WDZFZDKYSA-N 0 0 380.337 5.064 50 0 GKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1cccc(F)c1 ZINC000033278197 210636533 /nfs/dbraw/zinc/63/65/33/210636533.db2.gz QJMFMJVQGIVKMV-UHFFFAOYSA-N 0 0 396.512 5.576 50 0 GKAARN Cc1ccc(C)c(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033267841 210633758 /nfs/dbraw/zinc/63/37/58/210633758.db2.gz SPZURNVVKXLIAV-NRFANRHFSA-N 0 0 398.510 5.144 50 0 GKAARN CCc1ccccc1NC(=O)CCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033072521 210620595 /nfs/dbraw/zinc/62/05/95/210620595.db2.gz PGOAVZWZFLPFJO-UHFFFAOYSA-N 0 0 398.510 5.003 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1 ZINC000033139321 210629198 /nfs/dbraw/zinc/62/91/98/210629198.db2.gz WSHPSURSPBSAAD-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN CCC(C)(C)NC(=O)c1ccc(Oc2ncc(-c3ccc(C)cc3)cn2)cc1 ZINC000033139319 210629218 /nfs/dbraw/zinc/62/92/18/210629218.db2.gz HXBXLBVLEZVWTH-UHFFFAOYSA-N 0 0 375.472 5.163 50 0 GKAARN O=C(c1ccccc1)N1CN(C2CCCCC2)Cc2c3c(sc21)CCCC3 ZINC000019607749 207143956 /nfs/dbraw/zinc/14/39/56/207143956.db2.gz MMBOSBNWBRCMAA-UHFFFAOYSA-N 0 0 380.557 5.380 50 0 GKAARN COc1ccc(NC(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc1OC ZINC000033123593 210625207 /nfs/dbraw/zinc/62/52/07/210625207.db2.gz NLNBKMLZKFODCQ-UHFFFAOYSA-N 0 0 387.439 5.496 50 0 GKAARN Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCC(F)(F)F)cc1 ZINC000019634798 207144655 /nfs/dbraw/zinc/14/46/55/207144655.db2.gz WKNRHCOCDLFJNQ-HXUWFJFHSA-N 0 0 376.397 5.597 50 0 GKAARN Cc1ccc(-n2c(/C=C\c3ccc(F)c(F)c3)nc3ccccc3c2=O)c(C)c1 ZINC000033096844 210623348 /nfs/dbraw/zinc/62/33/48/210623348.db2.gz GUVJFMAQRRCOGC-XFXZXTDPSA-N 0 0 388.417 5.451 50 0 GKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000032996575 210613504 /nfs/dbraw/zinc/61/35/04/210613504.db2.gz NTBOVCOTYXWIST-UHFFFAOYSA-N 0 0 387.361 5.275 50 0 GKAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Cl)c3)cc2C)s1 ZINC000033008261 210613545 /nfs/dbraw/zinc/61/35/45/210613545.db2.gz PHGMHFBLNNRNQL-UHFFFAOYSA-N 0 0 388.880 5.251 50 0 GKAARN O=C(NC1CCCCC1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996954 210613323 /nfs/dbraw/zinc/61/33/23/210613323.db2.gz KLUDYTLPBUOAOV-UHFFFAOYSA-N 0 0 390.462 5.089 50 0 GKAARN CC[C@H](C)Oc1cccc(NCc2ccccc2OCCc2ccccc2)c1 ZINC000019737567 207155015 /nfs/dbraw/zinc/15/50/15/207155015.db2.gz ZVDUTJLKIVSVHV-FQEVSTJZSA-N 0 0 375.512 6.098 50 0 GKAARN Cc1cccc(O[C@@H](C)CNc2cccc(OCCOc3ccccc3)c2)c1 ZINC000019738407 207155091 /nfs/dbraw/zinc/15/50/91/207155091.db2.gz IVLQRXRCEOAFSR-FQEVSTJZSA-N 0 0 377.484 5.332 50 0 GKAARN CSc1cccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c1 ZINC000032971483 210609253 /nfs/dbraw/zinc/60/92/53/210609253.db2.gz UHPLJBGVHQPJFD-UHFFFAOYSA-N 0 0 379.485 5.368 50 0 GKAARN CCCCOc1ccccc1NCc1cccc(OCCOc2ccccc2)c1 ZINC000019738490 207158402 /nfs/dbraw/zinc/15/84/02/207158402.db2.gz VZSZBHDZMWFDGB-UHFFFAOYSA-N 0 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Cc1c(C(=O)Nc2cccc(C)c2)sc2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 ZINC000032092858 210571537 /nfs/dbraw/zinc/57/15/37/210571537.db2.gz HTAMDJSERHCTPD-QGZVFWFLSA-N 0 0 392.480 5.446 50 0 GKAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)NCc2ccc(Cl)cc2)=C3)C1 ZINC000020557649 207203248 /nfs/dbraw/zinc/20/32/48/207203248.db2.gz PLNVXYXGSANBQK-LBPRGKRZSA-N 0 0 389.973 5.430 50 0 GKAARN C[C@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccc(Cl)cc2)=C3)C1 ZINC000020557641 207203553 /nfs/dbraw/zinc/20/35/53/207203553.db2.gz LRUKRISMZZUPRU-NSHDSACASA-N 0 0 375.946 5.753 50 0 GKAARN Cc1nn(C)cc1-c1cc(C(F)F)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 ZINC000020602939 207205630 /nfs/dbraw/zinc/20/56/30/207205630.db2.gz KQYGAMQCJBLFDG-UHFFFAOYSA-N 0 0 399.420 5.330 50 0 GKAARN CC[C@H](C)n1c2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604020 207205773 /nfs/dbraw/zinc/20/57/73/207205773.db2.gz WMAFSFNVAMNKKQ-NSHDSACASA-N 0 0 393.434 5.419 50 0 GKAARN COc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020604382 207205872 /nfs/dbraw/zinc/20/58/72/207205872.db2.gz TVYFENBBADFLNO-UHFFFAOYSA-N 0 0 387.336 5.254 50 0 GKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccco2)cc3C(F)F)cc1 ZINC000020602941 207206253 /nfs/dbraw/zinc/20/62/53/207206253.db2.gz DKKGVSDCUROGKL-UHFFFAOYSA-N 0 0 381.382 5.504 50 0 GKAARN Fc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020602985 207206275 /nfs/dbraw/zinc/20/62/75/207206275.db2.gz JQTRDLQVTGLVDL-UHFFFAOYSA-N 0 0 397.375 6.181 50 0 GKAARN Fc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 ZINC000020605391 207206455 /nfs/dbraw/zinc/20/64/55/207206455.db2.gz SSILCFZNXPQTFM-UHFFFAOYSA-N 0 0 375.300 5.385 50 0 GKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020604848 207206668 /nfs/dbraw/zinc/20/66/68/207206668.db2.gz YBLOFYACDMZPLM-UHFFFAOYSA-N 0 0 387.336 5.259 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cc1 ZINC000020615148 207207380 /nfs/dbraw/zinc/20/73/80/207207380.db2.gz CDDVIDBYWXACIG-UHFFFAOYSA-N 0 0 381.401 6.035 50 0 GKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cc1 ZINC000020615058 207207518 /nfs/dbraw/zinc/20/75/18/207207518.db2.gz YUORJKXKFPVRPS-UHFFFAOYSA-N 0 0 379.410 5.401 50 0 GKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000020617827 207207849 /nfs/dbraw/zinc/20/78/49/207207849.db2.gz RRGUMYSALSDKGZ-UHFFFAOYSA-N 0 0 393.317 7.130 50 0 GKAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020611180 207208005 /nfs/dbraw/zinc/20/80/05/207208005.db2.gz QAERFSGZQOSIBV-UHFFFAOYSA-N 0 0 398.510 5.667 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2ccccc2OC3)cc1 ZINC000020847348 207214497 /nfs/dbraw/zinc/21/44/97/207214497.db2.gz HNLLAFJMAJHWHF-UHFFFAOYSA-N 0 0 383.878 6.937 50 0 GKAARN CC(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000020808363 207214644 /nfs/dbraw/zinc/21/46/44/207214644.db2.gz WGZIEDWYGJAISE-UHFFFAOYSA-N 0 0 389.886 6.259 50 0 GKAARN Cc1ccccc1NC(=O)C[C@H]1Sc2ccccc2N=C1c1ccc(F)cc1 ZINC000020851069 207215223 /nfs/dbraw/zinc/21/52/23/207215223.db2.gz CPRSCOJONRGERB-OAQYLSRUSA-N 0 0 390.483 5.758 50 0 GKAARN COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1Cl ZINC000020897481 207218062 /nfs/dbraw/zinc/21/80/62/207218062.db2.gz XWTPWRSTQIVDMO-LBPRGKRZSA-N 0 0 378.925 5.208 50 0 GKAARN COc1cc(C)c(NC(=O)c2ccccc2CCc2ccccc2)cc1OC ZINC000020885980 207218221 /nfs/dbraw/zinc/21/82/21/207218221.db2.gz KVFZVYHYZFVUSV-UHFFFAOYSA-N 0 0 375.468 5.050 50 0 GKAARN O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)C1CCCCC1 ZINC000020895221 207218439 /nfs/dbraw/zinc/21/84/39/207218439.db2.gz GAVZVPOWRHCKDT-UHFFFAOYSA-N 0 0 382.554 6.107 50 0 GKAARN CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)cc1F ZINC000020900411 207219742 /nfs/dbraw/zinc/21/97/42/207219742.db2.gz RMAINHSICKTAJZ-MRXNPFEDSA-N 0 0 394.288 5.087 50 0 GKAARN CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)CC1 ZINC000020900632 207220228 /nfs/dbraw/zinc/22/02/28/207220228.db2.gz YDABKVDPECPVHP-UHFFFAOYSA-N 0 0 396.874 5.211 50 0 GKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(C(C)C)cc3)C2)cc1C ZINC000020755567 207213515 /nfs/dbraw/zinc/21/35/15/207213515.db2.gz WNEXHXATHZRVKL-SANMLTNESA-N 0 0 393.534 6.833 50 0 GKAARN O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1cccc(Cl)c1 ZINC000020936812 207220732 /nfs/dbraw/zinc/22/07/32/207220732.db2.gz FRWCHWABGZTWJC-UHFFFAOYSA-N 0 0 399.881 5.053 50 0 GKAARN CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C(C)C ZINC000020979085 207221202 /nfs/dbraw/zinc/22/12/02/207221202.db2.gz LFAFJYIGAKQWII-UHFFFAOYSA-N 0 0 398.528 5.161 50 0 GKAARN C=Cc1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000020927663 207221204 /nfs/dbraw/zinc/22/12/04/207221204.db2.gz BKAHNUSQWAIYIA-UHFFFAOYSA-N 0 0 375.472 5.554 50 0 GKAARN C[C@H]1CN(c2ccc(C(=O)NCc3ccccc3)s2)c2ccccc2S1 ZINC000020988419 207222481 /nfs/dbraw/zinc/22/24/81/207222481.db2.gz RUBBNEQSFHRIMK-HNNXBMFYSA-N 0 0 380.538 5.310 50 0 GKAARN COc1ccc(-n2nc(-c3ccc(C)cc3)c3cnc4ccc(C)cc4c32)cc1 ZINC000021017539 207224284 /nfs/dbraw/zinc/22/42/84/207224284.db2.gz BDLHCNDTKDJZCB-UHFFFAOYSA-N 0 0 379.463 5.866 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCn2cccc2[C@H]1Cc1ccccc1 ZINC000021051427 207224332 /nfs/dbraw/zinc/22/43/32/207224332.db2.gz PGJGGKDRPPFSCH-HXUWFJFHSA-N 0 0 399.416 5.338 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3Cl)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017376 207224349 /nfs/dbraw/zinc/22/43/49/207224349.db2.gz YZFGVTFGEILNSJ-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN COc1ccc(Cn2c(C)c(C[NH2+]C3CCCCCCC3)c(C(=O)[O-])c2C)cc1 ZINC000021024630 207224501 /nfs/dbraw/zinc/22/45/01/207224501.db2.gz OVRYDYGIYUQWCE-UHFFFAOYSA-N 0 0 398.547 5.063 50 0 GKAARN Cc1c(C[NH2+][C@H](C)CCc2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025321 207224610 /nfs/dbraw/zinc/22/46/10/207224610.db2.gz IBIMXSZZRXYRCK-GOSISDBHSA-N 0 0 390.527 5.212 50 0 GKAARN Clc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc4c(cc3c21)OCO4 ZINC000021017628 207224689 /nfs/dbraw/zinc/22/46/89/207224689.db2.gz KXXGIDJDAQFTQH-UHFFFAOYSA-N 0 0 399.837 5.623 50 0 GKAARN CSc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1 ZINC000021157792 207226848 /nfs/dbraw/zinc/22/68/48/207226848.db2.gz HEQLHKSSMMICOO-MRXNPFEDSA-N 0 0 385.941 6.265 50 0 GKAARN CCc1ccccc1NC(=O)c1ccc(N2CCOc3ccc(Cl)cc32)s1 ZINC000021154631 207227089 /nfs/dbraw/zinc/22/70/89/207227089.db2.gz VGPVXBZMVSACPT-UHFFFAOYSA-N 0 0 398.915 5.747 50 0 GKAARN CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn21 ZINC000021150383 207227532 /nfs/dbraw/zinc/22/75/32/207227532.db2.gz SFUOHXNMVZFOFY-UHFFFAOYSA-N 0 0 382.817 5.589 50 0 GKAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000021164746 207227594 /nfs/dbraw/zinc/22/75/94/207227594.db2.gz VTBYTCIFHYDINB-SFHVURJKSA-N 0 0 390.527 5.053 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)NCCC4=CCCCC4)oc3ccc2O1 ZINC000021166384 207227627 /nfs/dbraw/zinc/22/76/27/207227627.db2.gz LPUOUWNKEYKMST-XMMPIXPASA-N 0 0 395.499 5.495 50 0 GKAARN CC(C)N1c2ccc(NC(=O)c3ccoc3)cc2Sc2ccccc2C1=O ZINC000021355204 207229581 /nfs/dbraw/zinc/22/95/81/207229581.db2.gz HZPOTWRSWSGBKB-UHFFFAOYSA-N 0 0 378.453 5.052 50 0 GKAARN CC(C)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891613 207241914 /nfs/dbraw/zinc/24/19/14/207241914.db2.gz CUDZZVJIBXVAKQ-NRFANRHFSA-N 0 0 379.529 5.200 50 0 GKAARN Cc1cccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCC(C)C)c1 ZINC000021893520 207242162 /nfs/dbraw/zinc/24/21/62/207242162.db2.gz HPXCIYSDXJBPSD-XMMPIXPASA-N 0 0 387.527 5.446 50 0 GKAARN Cc1ccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)c(C)c1 ZINC000021634904 207231963 /nfs/dbraw/zinc/23/19/63/207231963.db2.gz AZHVQMRWMJTVNB-UHFFFAOYSA-N 0 0 378.520 5.056 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C(C)C)cc3)c2C)c1-c1cccc(C)c1 ZINC000021914481 207242215 /nfs/dbraw/zinc/24/22/15/207242215.db2.gz ZOCMGKNZKXZTOV-UHFFFAOYSA-N 0 0 398.510 5.697 50 0 GKAARN CC1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000021656842 207233623 /nfs/dbraw/zinc/23/36/23/207233623.db2.gz HVZSVRGKPZWOLL-UHFFFAOYSA-N 0 0 399.947 5.191 50 0 GKAARN O=C(c1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021715478 207234798 /nfs/dbraw/zinc/23/47/98/207234798.db2.gz SRIVWERAPJBSQY-HSZRJFAPSA-N 0 0 388.417 5.234 50 0 GKAARN CCc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000021704932 207234919 /nfs/dbraw/zinc/23/49/19/207234919.db2.gz GXPXDBAFXBGPCO-UHFFFAOYSA-N 0 0 398.510 5.565 50 0 GKAARN O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)Nc1ccc(F)cc1F ZINC000021711593 207235188 /nfs/dbraw/zinc/23/51/88/207235188.db2.gz RSQXIUQZZKZXCM-UHFFFAOYSA-N 0 0 392.365 5.326 50 0 GKAARN COc1ccccc1NC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000021705442 207235343 /nfs/dbraw/zinc/23/53/43/207235343.db2.gz YHNLTVOXNQAFJO-UHFFFAOYSA-N 0 0 386.411 5.056 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c(C)c1 ZINC000021704906 207235771 /nfs/dbraw/zinc/23/57/71/207235771.db2.gz XLIJNAOOCGLRAV-UHFFFAOYSA-N 0 0 384.483 5.609 50 0 GKAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000021728827 207236952 /nfs/dbraw/zinc/23/69/52/207236952.db2.gz WGWWQDSSTDTRLN-OAQYLSRUSA-N 0 0 397.453 5.461 50 0 GKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1C(F)(F)F ZINC000021890083 207240542 /nfs/dbraw/zinc/24/05/42/207240542.db2.gz WCAKEDSHSORUHB-SFHVURJKSA-N 0 0 399.416 5.995 50 0 GKAARN O=c1[nH]c(SCc2ccc(F)cc2Cl)nc2c(-c3ccccc3)c[nH]c21 ZINC000021883831 207240992 /nfs/dbraw/zinc/24/09/92/207240992.db2.gz SDAOUIPZWGLSAS-UHFFFAOYSA-N 0 0 385.851 5.415 50 0 GKAARN CSc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC(C)C)cc1 ZINC000021889526 207241318 /nfs/dbraw/zinc/24/13/18/207241318.db2.gz HEGJQDSBRUPSDH-QFIPXVFZSA-N 0 0 391.540 5.222 50 0 GKAARN Cc1sc2[nH]c([C@H](C)SC3=Nc4ccccc4CS3)nc(=O)c2c1C ZINC000022022232 207245004 /nfs/dbraw/zinc/24/50/04/207245004.db2.gz DEKKJGXYNFVULM-NSHDSACASA-N 0 0 387.555 5.330 50 0 GKAARN C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NCc1ccccc1Cl ZINC000022022501 207245076 /nfs/dbraw/zinc/24/50/76/207245076.db2.gz SMAWPCXRCGVWCP-GFCCVEGCSA-N 0 0 376.934 5.012 50 0 GKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccoc1)CC2 ZINC000022023295 207245359 /nfs/dbraw/zinc/24/53/59/207245359.db2.gz GDJYQGRQSNHDQF-JOCHJYFZSA-N 0 0 383.875 5.098 50 0 GKAARN CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21OC(=O)c2ccccc21 ZINC000022053747 207246251 /nfs/dbraw/zinc/24/62/51/207246251.db2.gz UMLSFGLXYOSGJH-DEOSSOPVSA-N 0 0 388.419 5.139 50 0 in-vitro GKAARN O=C(/C=C/c1ccco1)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000022108394 207248374 /nfs/dbraw/zinc/24/83/74/207248374.db2.gz HOEYSCZJDGECTH-CSKARUKUSA-N 0 0 378.815 5.317 50 0 GKAARN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022245835 207250430 /nfs/dbraw/zinc/25/04/30/207250430.db2.gz UDHOELPDQSOZIE-UHFFFAOYSA-N 0 0 396.274 5.893 50 0 GKAARN COc1ccc(CC2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000022346617 207252662 /nfs/dbraw/zinc/25/26/62/207252662.db2.gz BIALYNWEFLAKLK-UHFFFAOYSA-N 0 0 378.299 5.097 50 0 GKAARN CCC[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1cccs1 ZINC000021935273 207243483 /nfs/dbraw/zinc/24/34/83/207243483.db2.gz NNHXXDZXARHYDQ-FQEVSTJZSA-N 0 0 387.508 5.630 50 0 GKAARN CC(C)(C)c1cc(NC(=O)C(Cl)(Cl)Cl)n(-c2ccccc2Cl)n1 ZINC000022635369 207257722 /nfs/dbraw/zinc/25/77/22/207257722.db2.gz SCGJTXCEEKHUMJ-UHFFFAOYSA-N 0 0 395.117 5.132 50 0 GKAARN O=C(c1c(F)cccc1C(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000022622669 207257958 /nfs/dbraw/zinc/25/79/58/207257958.db2.gz ABBLDOPHVCVGQE-UHFFFAOYSA-N 0 0 383.360 5.079 50 0 GKAARN O=C(CCC1CCCC1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022624784 207258109 /nfs/dbraw/zinc/25/81/09/207258109.db2.gz GAUZDUCFYCHGKF-RUZDIDTESA-N 0 0 394.534 5.030 50 0 GKAARN CC(C)CCN(CCC(C)C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000022628699 207258220 /nfs/dbraw/zinc/25/82/20/207258220.db2.gz QDKGCZVTQZNDAS-UHFFFAOYSA-N 0 0 396.453 5.895 50 0 GKAARN COc1c(C)cc(-c2ccc3nc(-c4cc(F)cc(F)c4F)oc3c2)cc1C ZINC000023446572 207277209 /nfs/dbraw/zinc/27/72/09/207277209.db2.gz AOAAFVUWQMCCQZ-UHFFFAOYSA-N 0 0 383.369 6.205 50 0 GKAARN Cc1ccc(SCc2csc(Cc3ccc(F)cc3Cl)n2)cc1C ZINC000023308710 207271552 /nfs/dbraw/zinc/27/15/52/207271552.db2.gz FRMKWWLFWRZPJM-UHFFFAOYSA-N 0 0 377.937 6.436 50 0 GKAARN O=C(NCCc1cccc(Cl)c1)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000023305834 207271946 /nfs/dbraw/zinc/27/19/46/207271946.db2.gz DOVWNZKGONIJBX-UHFFFAOYSA-N 0 0 377.843 5.319 50 0 GKAARN Cc1cccc(CSCc2csc(Cc3ccc(F)cc3Cl)n2)c1 ZINC000023304365 207272307 /nfs/dbraw/zinc/27/23/07/207272307.db2.gz INUUUNFDOORLRE-UHFFFAOYSA-N 0 0 377.937 6.268 50 0 GKAARN CCc1ccccc1-c1nc2ccc(-c3ccc(OC)c(OC)c3OC)cc2o1 ZINC000023449246 207277320 /nfs/dbraw/zinc/27/73/20/207277320.db2.gz HNMIIAOORYUPQS-UHFFFAOYSA-N 0 0 389.451 5.750 50 0 GKAARN Fc1cc(F)c(F)c(SCc2csc(-c3ccc(Cl)cc3)n2)c1F ZINC000023325165 207272937 /nfs/dbraw/zinc/27/29/37/207272937.db2.gz NWVWHQKYGQNAON-UHFFFAOYSA-N 0 0 389.826 6.312 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](CC)c1ccccc1 ZINC000023331260 207273121 /nfs/dbraw/zinc/27/31/21/207273121.db2.gz JVNCTOXOYGWRSW-GOSISDBHSA-N 0 0 393.508 5.724 50 0 GKAARN O=C(Nc1cc(F)ccc1F)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023321801 207273145 /nfs/dbraw/zinc/27/31/45/207273145.db2.gz RAAJEIRYBAJAKV-NRFANRHFSA-N 0 0 382.385 5.284 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)N3CCCCCCC3)c3ccccc3n2)cc1 ZINC000023323021 207273313 /nfs/dbraw/zinc/27/33/13/207273313.db2.gz FQKTTYHHLAKZGJ-UHFFFAOYSA-N 0 0 388.511 5.707 50 0 GKAARN CC(C)(C)C(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl ZINC000023321845 207273463 /nfs/dbraw/zinc/27/34/63/207273463.db2.gz DJVJTTARGYBCEB-UHFFFAOYSA-N 0 0 388.298 5.831 50 0 GKAARN Cc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023318543 207273822 /nfs/dbraw/zinc/27/38/22/207273822.db2.gz RXSHNVNEWLYAAZ-QFIPXVFZSA-N 0 0 376.887 5.828 50 0 GKAARN CN(CCc1ccccc1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000023317348 207273884 /nfs/dbraw/zinc/27/38/84/207273884.db2.gz NEFHXAWWORYUEU-UHFFFAOYSA-N 0 0 389.442 5.749 50 0 GKAARN CC(=O)Nc1ccc(F)c(NC(=O)c2oc3c(ccc4ccccc34)c2C)c1 ZINC000023003409 207267197 /nfs/dbraw/zinc/26/71/97/207267197.db2.gz KRYHSQRTGHQFTC-UHFFFAOYSA-N 0 0 376.387 5.244 50 0 GKAARN Cc1ccc(-c2nn(CN(C)[C@H](C)c3nc4ccccc4s3)c(=S)[nH]2)cc1 ZINC000022990224 207267316 /nfs/dbraw/zinc/26/73/16/207267316.db2.gz NJCQQODXWPREJM-CQSZACIVSA-N 0 0 395.557 5.176 50 0 GKAARN Cc1ccc(-c2cc(NC(=O)CCc3ccccc3)n(-c3ccccc3C)n2)cc1 ZINC000023440999 207277914 /nfs/dbraw/zinc/27/79/14/207277914.db2.gz UFKLJMBJERFNIP-UHFFFAOYSA-N 0 0 395.506 5.727 50 0 GKAARN COc1ccc(F)c(-c2nc3ccc(-c4cc(C)c(OC)c(C)c4)cc3o2)c1 ZINC000023442015 207278145 /nfs/dbraw/zinc/27/81/45/207278145.db2.gz HBOBXOJGNWVHFI-UHFFFAOYSA-N 0 0 377.415 5.935 50 0 GKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(Cl)ccc1F ZINC000023446907 207278350 /nfs/dbraw/zinc/27/83/50/207278350.db2.gz RPUCCGNJQZBGPC-UHFFFAOYSA-N 0 0 391.833 5.584 50 0 GKAARN CCCNC(=O)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000023440074 207278499 /nfs/dbraw/zinc/27/84/99/207278499.db2.gz OLEXDGQLZUYVBQ-UHFFFAOYSA-N 0 0 397.478 5.471 50 0 GKAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccccc1OC(F)F ZINC000024959938 207297968 /nfs/dbraw/zinc/29/79/68/207297968.db2.gz UMSULOMGTHVYRG-XZHRJIJLSA-N 0 0 388.439 5.131 50 0 GKAARN Cc1oc(-c2ccccc2)nc1COc1ccccc1C(=O)Nc1ccccc1 ZINC000024990370 207298677 /nfs/dbraw/zinc/29/86/77/207298677.db2.gz XKHCYBSGWJTHMT-UHFFFAOYSA-N 0 0 384.435 5.481 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000024393569 207291122 /nfs/dbraw/zinc/29/11/22/207291122.db2.gz NUEOFZYIOBAHAH-INIZCTEOSA-N 0 0 379.287 5.155 50 0 GKAARN CCOCc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1OC ZINC000024777128 207295237 /nfs/dbraw/zinc/29/52/37/207295237.db2.gz WKTZIGGJPNZIEB-UHFFFAOYSA-N 0 0 389.495 5.093 50 0 GKAARN C[C@@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000024834776 207296661 /nfs/dbraw/zinc/29/66/61/207296661.db2.gz WDXVVLOTKVUIBY-GFCCVEGCSA-N 0 0 391.418 5.215 50 0 GKAARN CCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)cc1 ZINC000024828860 207296847 /nfs/dbraw/zinc/29/68/47/207296847.db2.gz UYWOTODAGTVGIK-UHFFFAOYSA-N 0 0 388.496 5.025 50 0 GKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccccc1OC(F)F ZINC000024959945 207297030 /nfs/dbraw/zinc/29/70/30/207297030.db2.gz UMSULOMGTHVYRG-YLSINNKHSA-N 0 0 388.439 5.131 50 0 GKAARN c1ccc(C2=NC3(CCCCCCCCCCC3)N3[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000025760387 207306062 /nfs/dbraw/zinc/30/60/62/207306062.db2.gz QKUHRMSTHCNTAR-CRMLLVLTSA-N 0 0 386.583 6.916 50 0 GKAARN C[C@@H](Sc1nccn1-c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000025967939 207307829 /nfs/dbraw/zinc/30/78/29/207307829.db2.gz BTCFFTKZBUUJGU-CYBMUJFWSA-N 0 0 391.418 5.010 50 0 GKAARN Cc1nc(C)c(-c2nnc(SCc3nc(-c4cccs4)oc3C)o2)s1 ZINC000025061312 207300860 /nfs/dbraw/zinc/30/08/60/207300860.db2.gz AKILLQUONFPLDE-UHFFFAOYSA-N 0 0 390.515 5.127 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1sc2nc(C)nc(C)c2c1C ZINC000025596806 207304183 /nfs/dbraw/zinc/30/41/83/207304183.db2.gz JUGXLUICLKXTBM-UHFFFAOYSA-N 0 0 383.517 5.175 50 0 GKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(F)c1)O2 ZINC000025582976 207304756 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Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000023312515 210440951 /nfs/dbraw/zinc/44/09/51/210440951.db2.gz KNIJVVJPEYOJGR-LBPRGKRZSA-N 0 0 390.361 5.040 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N3CCCCCCC3)cc2)c1 ZINC000023313252 210440858 /nfs/dbraw/zinc/44/08/58/210440858.db2.gz JMKYOWPGZCGLPR-UHFFFAOYSA-N 0 0 387.527 5.562 50 0 GKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000023323316 210440665 /nfs/dbraw/zinc/44/06/65/210440665.db2.gz ALRFRNHUQZLHIQ-RUZDIDTESA-N 0 0 383.535 6.080 50 0 GKAARN O=C(c1cccc(Cl)c1)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023321690 210440726 /nfs/dbraw/zinc/44/07/26/210440726.db2.gz SMSJVQQHLJCRNK-OAQYLSRUSA-N 0 0 382.290 5.781 50 0 GKAARN O=C(c1cc(F)cc(F)c1)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1 ZINC000023311950 210440516 /nfs/dbraw/zinc/44/05/16/210440516.db2.gz KQIKGTZTYRGDIK-UHFFFAOYSA-N 0 0 390.817 5.344 50 0 GKAARN CCOc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000023318563 210439915 /nfs/dbraw/zinc/43/99/15/210439915.db2.gz NYFWGOMNAAVBNY-DEOSSOPVSA-N 0 0 386.495 5.573 50 0 GKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Cl)c3)C12 ZINC000101424500 208393535 /nfs/dbraw/zinc/39/35/35/208393535.db2.gz PCXKTPLFCISAKL-QFIPXVFZSA-N 0 0 375.880 6.591 50 0 GKAARN COc1cc(CNc2nc(C)c(-c3ccn(C4CCCC4)n3)s2)ccc1F ZINC000023146046 210436237 /nfs/dbraw/zinc/43/62/37/210436237.db2.gz QDZHTVRAOOQWDJ-UHFFFAOYSA-N 0 0 386.496 5.190 50 0 GKAARN COc1ccc(-c2csc(C3=C(N)N([C@@H](C)CCCC(C)C)CC3=O)n2)cc1 ZINC000102719848 208407826 /nfs/dbraw/zinc/40/78/26/208407826.db2.gz ABCCJSWKOWHUGJ-HNNXBMFYSA-N 0 0 399.560 5.595 50 0 GKAARN C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl)CC(C)(C)C ZINC000022632959 210419026 /nfs/dbraw/zinc/41/90/26/210419026.db2.gz GCFDESZIBGOGBM-UZUQRXQVSA-N 0 0 383.963 6.277 50 0 GKAARN CC(C)CCC[C@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022634464 210418899 /nfs/dbraw/zinc/41/88/99/210418899.db2.gz YSUQQQWMJXQXTR-AWEZNQCLSA-N 0 0 383.479 6.379 50 0 GKAARN COc1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102857758 208412198 /nfs/dbraw/zinc/41/21/98/208412198.db2.gz RPAKQFABUJKIMX-QHCPKHFHSA-N 0 0 383.491 6.699 50 0 GKAARN COc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000023125562 210434101 /nfs/dbraw/zinc/43/41/01/210434101.db2.gz YFROFYXJQYWNHS-UHFFFAOYSA-N 0 0 392.455 5.606 50 0 GKAARN O=C(/C=C/c1cccc(F)c1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000023011136 210432685 /nfs/dbraw/zinc/43/26/85/210432685.db2.gz WEPQAZHGZDEOFE-NTEUORMPSA-N 0 0 375.403 5.122 50 0 GKAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021894861 210398468 /nfs/dbraw/zinc/39/84/68/210398468.db2.gz KZWYYPWTPZMFKI-GOSISDBHSA-N 0 0 381.479 5.048 50 0 GKAARN C[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccc(Br)cc1 ZINC000021890542 210398488 /nfs/dbraw/zinc/39/84/88/210398488.db2.gz KICSTIUBGLZHDD-AWEZNQCLSA-N 0 0 396.288 5.349 50 0 GKAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1ccccc1C(F)(F)F ZINC000021890085 210398543 /nfs/dbraw/zinc/39/85/43/210398543.db2.gz WCAKEDSHSORUHB-GOSISDBHSA-N 0 0 399.416 5.995 50 0 GKAARN O=C(NC1CCCC1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891506 210398307 /nfs/dbraw/zinc/39/83/07/210398307.db2.gz OFPLFBWRSKLSLG-NRFANRHFSA-N 0 0 377.513 5.096 50 0 GKAARN Cc1cccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)c1 ZINC000021893493 210398326 /nfs/dbraw/zinc/39/83/26/210398326.db2.gz PVVVDMCZOKMUJK-DEOSSOPVSA-N 0 0 397.478 5.194 50 0 GKAARN CCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)C)C2 ZINC000022331107 210411202 /nfs/dbraw/zinc/41/12/02/210411202.db2.gz LPZHIYJIORWITE-ZIAGYGMSSA-N 0 0 379.566 5.451 50 0 GKAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000021888746 210399396 /nfs/dbraw/zinc/39/93/96/210399396.db2.gz BZJLLQIGSGPWFS-OAQYLSRUSA-N 0 0 379.891 5.155 50 0 GKAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(SC)cc1 ZINC000021889493 210399010 /nfs/dbraw/zinc/39/90/10/210399010.db2.gz PYSDTRRWCFJBPJ-JOCHJYFZSA-N 0 0 391.540 5.224 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C(C)C)n2)cc1 ZINC000021792808 210392528 /nfs/dbraw/zinc/39/25/28/210392528.db2.gz YOZOYCYSNMKTID-UHFFFAOYSA-N 0 0 381.863 5.067 50 0 GKAARN O=C1C[C@H](c2ccccc2Cl)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000021728705 210391037 /nfs/dbraw/zinc/39/10/37/210391037.db2.gz PNYSGWFFPPUZNG-LJQANCHMSA-N 0 0 399.881 5.667 50 0 GKAARN COc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)c1 ZINC000021715488 210390964 /nfs/dbraw/zinc/39/09/64/210390964.db2.gz TXNCRTYSKVLUII-VWLOTQADSA-N 0 0 396.490 5.273 50 0 GKAARN Cc1ccc(CNC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711575 210390102 /nfs/dbraw/zinc/39/01/02/210390102.db2.gz NFKORBLDZDUXDH-UHFFFAOYSA-N 0 0 384.439 5.034 50 0 GKAARN CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)cc1 ZINC000021656521 210387800 /nfs/dbraw/zinc/38/78/00/210387800.db2.gz QAHFKULZYRUTMR-UHFFFAOYSA-N 0 0 387.508 5.480 50 0 GKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000021879921 210397262 /nfs/dbraw/zinc/39/72/62/210397262.db2.gz ZTGZNTHVQLZJEK-DEOSSOPVSA-N 0 0 397.478 5.356 50 0 GKAARN Cc1cc(NCC(C)C)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790479 210394096 /nfs/dbraw/zinc/39/40/96/210394096.db2.gz DULREJKHANKVLO-UHFFFAOYSA-N 0 0 382.817 5.445 50 0 GKAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000021787179 210393660 /nfs/dbraw/zinc/39/36/60/210393660.db2.gz XWYAGWJDDFLRDS-QFIPXVFZSA-N 0 0 375.516 5.282 50 0 GKAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)c1 ZINC000021112688 210378706 /nfs/dbraw/zinc/37/87/06/210378706.db2.gz JKZKNRFNCZAICO-UHFFFAOYSA-N 0 0 382.529 5.245 50 0 GKAARN Cc1cc(N2CCCCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021150422 210378789 /nfs/dbraw/zinc/37/87/89/210378789.db2.gz UBBHLIRAVMRUJE-UHFFFAOYSA-N 0 0 394.828 5.367 50 0 GKAARN CSc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1 ZINC000021157789 210378279 /nfs/dbraw/zinc/37/82/79/210378279.db2.gz HEQLHKSSMMICOO-INIZCTEOSA-N 0 0 385.941 6.265 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021107979 210378285 /nfs/dbraw/zinc/37/82/85/210378285.db2.gz DSUAYZGLDOJEIS-LJQANCHMSA-N 0 0 384.266 5.468 50 0 GKAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000021164752 210377716 /nfs/dbraw/zinc/37/77/16/210377716.db2.gz VTBYTCIFHYDINB-GOSISDBHSA-N 0 0 390.527 5.053 50 0 GKAARN CCc1ccc(CNC(=O)c2nc3ccccc3c(Nc3cccc(C)c3)n2)cc1 ZINC000021156308 210377734 /nfs/dbraw/zinc/37/77/34/210377734.db2.gz WVNHIUUUNDJDHH-UHFFFAOYSA-N 0 0 396.494 5.174 50 0 GKAARN Cc1cccc(Nc2nc(C(=O)Nc3c(C)cccc3C)nc3ccccc32)c1 ZINC000021156265 210377765 /nfs/dbraw/zinc/37/77/65/210377765.db2.gz HKZPGSJJFCHTBW-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H]5C[C@]4(C=NO5)[C@H]3CC[C@]12C ZINC000118915747 208465322 /nfs/dbraw/zinc/46/53/22/208465322.db2.gz HDHGWPLBZGZAAW-ZIGALQMKSA-N 0 0 399.663 7.472 50 0 GKAARN COc1ccc2cc3cc(C(=O)N(C)C4CCCCC4)sc3nc2c1Cl ZINC000021087575 210377130 /nfs/dbraw/zinc/37/71/30/210377130.db2.gz XUFRLFDEEJTQTK-UHFFFAOYSA-N 0 0 388.920 5.516 50 0 GKAARN Cc1cc2c(s1)CCc1cc(C(=O)NCCc3ccc(Cl)cc3)sc1-2 ZINC000021043639 210376034 /nfs/dbraw/zinc/37/60/34/210376034.db2.gz VAWFMVKDZABVCB-UHFFFAOYSA-N 0 0 387.957 5.510 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccsc1CC2 ZINC000021043430 210376235 /nfs/dbraw/zinc/37/62/35/210376235.db2.gz ZUDRPOJYRMUWNX-UHFFFAOYSA-N 0 0 379.428 5.846 50 0 GKAARN CCc1cccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)c1 ZINC000021530492 210383321 /nfs/dbraw/zinc/38/33/21/210383321.db2.gz VAHUHFKRRURNIE-FQEVSTJZSA-N 0 0 390.508 5.036 50 0 GKAARN O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000226762267 208473931 /nfs/dbraw/zinc/47/39/31/208473931.db2.gz DDOASHZTGNJXQS-FQEVSTJZSA-N 0 0 388.269 6.559 50 0 GKAARN Cc1c(C[NH2+]Cc2ccc(C)cc2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024719 210374396 /nfs/dbraw/zinc/37/43/96/210374396.db2.gz NWVIKSGMDDFKSC-UHFFFAOYSA-N 0 0 382.891 5.044 50 0 GKAARN Fc1ccc([C@H](NCc2ccccc2Cl)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988518 210372568 /nfs/dbraw/zinc/37/25/68/210372568.db2.gz ZDUNNIONCWBDRK-FQEVSTJZSA-N 0 0 393.849 5.408 50 0 GKAARN O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1cccs1 ZINC000020895214 210366393 /nfs/dbraw/zinc/36/63/93/210366393.db2.gz JBSYLYCDTNJHFO-UHFFFAOYSA-N 0 0 382.535 5.902 50 0 GKAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025113 210374853 /nfs/dbraw/zinc/37/48/53/210374853.db2.gz QPSMBKWZHWEOEF-UHFFFAOYSA-N 0 0 396.918 5.086 50 0 GKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2c(F)cccc32)cc1 ZINC000021017516 210374633 /nfs/dbraw/zinc/37/46/33/210374633.db2.gz ZWARPHAUDHYLLF-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN Fc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccccc4c32)c(F)c1 ZINC000021017273 210374532 /nfs/dbraw/zinc/37/45/32/210374532.db2.gz JEOBLGBSGCVBMJ-UHFFFAOYSA-N 0 0 391.808 6.172 50 0 GKAARN Fc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cccc4c32)c(F)c1 ZINC000021017481 210374244 /nfs/dbraw/zinc/37/42/44/210374244.db2.gz WQBRNQNPIAGZMR-UHFFFAOYSA-N 0 0 375.353 5.658 50 0 GKAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)cc1C ZINC000003220958 208508732 /nfs/dbraw/zinc/50/87/32/208508732.db2.gz QRMMGHUMFKDQKT-UHFFFAOYSA-N 0 0 389.933 5.527 50 0 GKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)Nc1cccc(Cl)c1 ZINC000003183510 208509487 /nfs/dbraw/zinc/50/94/87/208509487.db2.gz VFXCYJWCWLXJAC-UHFFFAOYSA-N 0 0 379.872 6.261 50 0 GKAARN O=C(Oc1cccc2cccnc21)c1cc(-c2cccs2)nc2ccccc21 ZINC000003253734 208510457 /nfs/dbraw/zinc/51/04/57/208510457.db2.gz KLHNDZDSUSIZHY-UHFFFAOYSA-N 0 0 382.444 5.731 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OC ZINC000003305217 208510584 /nfs/dbraw/zinc/51/05/84/208510584.db2.gz ISMYMVNUUYHDIF-RIYZIHGNSA-N 0 0 389.451 5.456 50 0 GKAARN COc1ccc(C)cc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000020852871 210362840 /nfs/dbraw/zinc/36/28/40/210362840.db2.gz UQRXBZRLWQCKBR-OAQYLSRUSA-N 0 0 389.430 5.394 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(n2)-c2cc(C)ccc2OC3)cc1 ZINC000020847367 210362502 /nfs/dbraw/zinc/36/25/02/210362502.db2.gz UOWDEPBSOACQPY-UHFFFAOYSA-N 0 0 377.487 6.900 50 0 GKAARN COc1ccc(C)cc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000020852866 210362339 /nfs/dbraw/zinc/36/23/39/210362339.db2.gz UQRXBZRLWQCKBR-NRFANRHFSA-N 0 0 389.430 5.394 50 0 GKAARN Clc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 ZINC000003364515 208513574 /nfs/dbraw/zinc/51/35/74/208513574.db2.gz CCCDFAMWDJTMRS-UHFFFAOYSA-N 0 0 383.929 5.942 50 0 GKAARN Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2cccc3ccccc32)cc1 ZINC000001791325 208497799 /nfs/dbraw/zinc/49/77/99/208497799.db2.gz QYOZYANSAHEUFH-UHFFFAOYSA-N 0 0 392.454 6.501 50 0 GKAARN COc1ccc(-c2cc(=NN=c3[nH]c4ccccc4[nH]3)c3ccc(C)cc3o2)cc1 ZINC000001917208 208498323 /nfs/dbraw/zinc/49/83/23/208498323.db2.gz GXVFTTAHDPSOHO-SZXQPVLSSA-N 0 0 396.450 5.221 50 0 GKAARN C/C(=C\c1ccco1)CN1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C)n1 ZINC000020784636 210361521 /nfs/dbraw/zinc/36/15/21/210361521.db2.gz FWHKNMWRERHRKF-YEXLONIWSA-N 0 0 383.495 5.515 50 0 GKAARN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000001787273 208499065 /nfs/dbraw/zinc/49/90/65/208499065.db2.gz MNGCBLYRXGOOAY-QGZVFWFLSA-N 0 0 379.887 6.030 50 0 GKAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc2ccccc2c1 ZINC000002053169 208499119 /nfs/dbraw/zinc/49/91/19/208499119.db2.gz GIOTVAYGIWBMII-UHFFFAOYSA-N 0 0 391.426 5.866 50 0 GKAARN CC(C)c1ccc(CSc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000001783381 208499378 /nfs/dbraw/zinc/49/93/78/208499378.db2.gz UZZWXHWUVCBHKY-UHFFFAOYSA-N 0 0 376.550 6.774 50 0 GKAARN CCC(=O)N(CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000001774419 208499549 /nfs/dbraw/zinc/49/95/49/208499549.db2.gz LUVDFJKIHZPFDY-FCHUYYIVSA-N 0 0 397.559 5.472 50 0 biogenic GKAARN CC[C@](C)(CCNC(=O)CC[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000002371196 208503165 /nfs/dbraw/zinc/50/31/65/208503165.db2.gz XLDXTCVVKFVMRP-ZEQKJWHPSA-N 0 0 389.539 6.066 50 0 GKAARN O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1cccc(Cl)c1 ZINC000020735987 210358450 /nfs/dbraw/zinc/35/84/50/210358450.db2.gz YFESUCRSAIMJEI-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1ccco1 ZINC000002660762 208505099 /nfs/dbraw/zinc/50/50/99/208505099.db2.gz JTQWEBQXSWVHIZ-UHFFFAOYSA-N 0 0 390.464 5.010 50 0 GKAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(Cl)c1 ZINC000002917647 208506487 /nfs/dbraw/zinc/50/64/87/208506487.db2.gz GJCVZXYFVYMGGF-UHFFFAOYSA-N 0 0 396.324 5.243 50 0 GKAARN CC[C@H](C)n1c2nc(-c3ccccc3OC)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615382 210353946 /nfs/dbraw/zinc/35/39/46/210353946.db2.gz RIUFGGHBVDCFGK-JTQLQIEISA-N 0 0 391.443 5.038 50 0 GKAARN CCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cn1 ZINC000020615303 210353951 /nfs/dbraw/zinc/35/39/51/210353951.db2.gz VOTOZEABFKHUPM-UHFFFAOYSA-N 0 0 379.414 5.119 50 0 GKAARN COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cc1 ZINC000020615412 210353374 /nfs/dbraw/zinc/35/33/74/210353374.db2.gz KRNJQBOOMVXLQE-UHFFFAOYSA-N 0 0 397.400 5.482 50 0 GKAARN COc1ccccc1-c1cc(C(F)F)c2c(C)nn(-c3ccc(F)cc3)c2n1 ZINC000020615494 210353394 /nfs/dbraw/zinc/35/33/94/210353394.db2.gz TUEOHXKYKAKYQZ-UHFFFAOYSA-N 0 0 383.373 5.481 50 0 GKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(Oc2ccccc2)c1 ZINC000004031551 208533247 /nfs/dbraw/zinc/53/32/47/208533247.db2.gz LLPUBUOCLLAISN-UHFFFAOYSA-N 0 0 380.856 5.994 50 0 GKAARN CCc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)s1 ZINC000020605380 210352139 /nfs/dbraw/zinc/35/21/39/210352139.db2.gz LWNCAGIWPPCDDI-UHFFFAOYSA-N 0 0 391.393 5.869 50 0 GKAARN CC[C@H](C)n1c2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604012 210351149 /nfs/dbraw/zinc/35/11/49/210351149.db2.gz QKXGYHMRHPBUED-QMMMGPOBSA-N 0 0 385.436 5.172 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1 ZINC000020604685 210349723 /nfs/dbraw/zinc/34/97/23/210349723.db2.gz DLSXZKJDULTTQN-UHFFFAOYSA-N 0 0 383.373 5.423 50 0 GKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3C)c2)c1C ZINC000020580452 210348926 /nfs/dbraw/zinc/34/89/26/210348926.db2.gz INLNUVONPFCMAG-UHFFFAOYSA-N 0 0 390.892 5.029 50 0 GKAARN Cc1ccc([C@H](CC(=O)Nc2ccccc2C)N2Cc3ccccc3C2=O)cc1 ZINC000020561909 210347403 /nfs/dbraw/zinc/34/74/03/210347403.db2.gz IZLRHSUYIIUTBZ-QHCPKHFHSA-N 0 0 384.479 5.029 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557386 210345624 /nfs/dbraw/zinc/34/56/24/210345624.db2.gz NMFNYTMSQOGMQJ-UHFFFAOYSA-N 0 0 395.471 5.872 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)s1 ZINC000020615291 210354298 /nfs/dbraw/zinc/35/42/98/210354298.db2.gz PVAICACQBJSDCP-UHFFFAOYSA-N 0 0 381.451 6.272 50 0 GKAARN Cc1ccccc1NC(=O)c1c2ccc(N)nc2sc1-c1ccc(F)cc1 ZINC000020513237 210343906 /nfs/dbraw/zinc/34/39/06/210343906.db2.gz ICFIMQAAVTWNIS-UHFFFAOYSA-N 0 0 377.444 5.245 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc(Br)s1 ZINC000004135332 208536331 /nfs/dbraw/zinc/53/63/31/208536331.db2.gz LJPIDCWCERUOAO-UHFFFAOYSA-N 0 0 399.269 5.571 50 0 GKAARN O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000004087673 208536801 /nfs/dbraw/zinc/53/68/01/208536801.db2.gz FZBULRRCWOOHJL-UHFFFAOYSA-N 0 0 395.871 5.029 50 0 GKAARN CCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)s3)sc2C)cc1 ZINC000004279322 208542913 /nfs/dbraw/zinc/54/29/13/208542913.db2.gz USJRIJWUBOAYMH-UHFFFAOYSA-N 0 0 378.906 5.484 50 0 GKAARN Cc1c2nc(NC(=O)c3ccc(Br)cc3)sc2ccc1Cl ZINC000004330862 208544109 /nfs/dbraw/zinc/54/41/09/208544109.db2.gz BZPAKSQUIBAREH-UHFFFAOYSA-N 0 0 381.682 5.273 50 0 GKAARN CCc1ccc(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)cc1 ZINC000004356252 208544519 /nfs/dbraw/zinc/54/45/19/208544519.db2.gz DKZUMCBHLHFVRO-UHFFFAOYSA-N 0 0 383.904 5.090 50 0 GKAARN Cc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 ZINC000004791066 208546118 /nfs/dbraw/zinc/54/61/18/208546118.db2.gz ACDDVTXJSOYXPL-UHFFFAOYSA-N 0 0 385.920 5.446 50 0 GKAARN Cc1sc2c(c1C)CSC(C(=O)Nc1ccccc1Br)=C2 ZINC000020557259 210344874 /nfs/dbraw/zinc/34/48/74/210344874.db2.gz MGRFYWAOKREONI-UHFFFAOYSA-N 0 0 380.332 5.354 50 0 GKAARN CC(C)Oc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)c1 ZINC000020380639 210330458 /nfs/dbraw/zinc/33/04/58/210330458.db2.gz IARJMBNQJRTCSD-UHFFFAOYSA-N 0 0 384.888 5.943 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000020319599 210325958 /nfs/dbraw/zinc/32/59/58/210325958.db2.gz XCVQTJSJANBEJO-LJQANCHMSA-N 0 0 384.266 5.468 50 0 GKAARN CCOc1cccc2c1Oc1nc(-c3ccc(SC)cc3)[nH]c(=S)c1C2 ZINC000020380498 210331306 /nfs/dbraw/zinc/33/13/06/210331306.db2.gz NCZKPYUZKOWVST-UHFFFAOYSA-N 0 0 382.510 5.249 50 0 GKAARN O=C(CCC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020118328 210318292 /nfs/dbraw/zinc/31/82/92/210318292.db2.gz LGAXETHLPPPQKX-UHFFFAOYSA-N 0 0 390.571 5.281 50 0 GKAARN CC(=O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 ZINC000020096549 210317032 /nfs/dbraw/zinc/31/70/32/210317032.db2.gz MDOICPJFRBDQMF-UHFFFAOYSA-N 0 0 386.289 5.102 50 0 GKAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1cccc2ccccc21 ZINC000002740825 209380522 /nfs/dbraw/zinc/38/05/22/209380522.db2.gz OIJLNGOLUUMFFD-UHFFFAOYSA-N 0 0 395.867 5.503 50 0 GKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000019798940 210297950 /nfs/dbraw/zinc/29/79/50/210297950.db2.gz LZBHSVAGOMLYBQ-PBHICJAKSA-N 0 0 377.307 5.180 50 0 GKAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1ccc(C(F)(F)F)cc1 ZINC000019927081 210307331 /nfs/dbraw/zinc/30/73/31/210307331.db2.gz UMBRPNIHYZKNQV-OAHLLOKOSA-N 0 0 392.229 5.791 50 0 GKAARN Brc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 ZINC000019892011 210306900 /nfs/dbraw/zinc/30/69/00/210306900.db2.gz SZUQKHWVLVEMQC-UHFFFAOYSA-N 0 0 393.288 5.524 50 0 GKAARN COc1cc2cc(C(=O)Nc3cccnc3)cc(-c3ccc(C)cc3)c2cc1OC ZINC000019898560 210305970 /nfs/dbraw/zinc/30/59/70/210305970.db2.gz ZWAMSAGHOHKSHV-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc(O)c1 ZINC000019771699 210295707 /nfs/dbraw/zinc/29/57/07/210295707.db2.gz WFKQQUMQMKTUJD-VWLOTQADSA-N 0 0 384.479 5.030 50 0 GKAARN O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000005019028 208663872 /nfs/dbraw/zinc/66/38/72/208663872.db2.gz XXOZDWWZRLAKOZ-MOSHPQCFSA-N 0 0 393.801 5.616 50 0 GKAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Br)o1 ZINC000005051061 208665761 /nfs/dbraw/zinc/66/57/61/208665761.db2.gz OELZHDHMEQPDIF-UHFFFAOYSA-N 0 0 392.636 5.740 50 0 GKAARN CCC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000005399270 208668532 /nfs/dbraw/zinc/66/85/32/208668532.db2.gz FBOFGBZVVPVETP-UNMCSNQZSA-N 0 0 389.580 5.301 50 0 GKAARN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000005891205 208675049 /nfs/dbraw/zinc/67/50/49/208675049.db2.gz DGKPVSSGDFMFGQ-DEDYPNTBSA-N 0 0 397.496 5.029 50 0 GKAARN Fc1ccc(-c2csc(/C=C/c3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000006048226 208676397 /nfs/dbraw/zinc/67/63/97/208676397.db2.gz XRPSSKLSXONWHG-NTEUORMPSA-N 0 0 387.479 6.699 50 0 GKAARN CC(C)n1nc(C(=O)Nc2cccc(Oc3ccccc3)c2)c2ccccc2c1=O ZINC000006945083 208686515 /nfs/dbraw/zinc/68/65/15/208686515.db2.gz XNTXTGCSHNZKNJ-UHFFFAOYSA-N 0 0 399.450 5.022 50 0 GKAARN CCOc1ccc(-c2nc(NC(=O)c3cccc(SC)c3)sc2C)cc1 ZINC000007511995 208688875 /nfs/dbraw/zinc/68/88/75/208688875.db2.gz LIEJODSGQLBNPZ-UHFFFAOYSA-N 0 0 384.526 5.491 50 0 GKAARN O=C(Nc1ccnn1Cc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000008394450 208696359 /nfs/dbraw/zinc/69/63/59/208696359.db2.gz ANRMDYBMZZTYAP-QHCPKHFHSA-N 0 0 399.519 5.404 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3O)nc2c1 ZINC000001100059 208710212 /nfs/dbraw/zinc/71/02/12/208710212.db2.gz VXWMHBGPXYJVIA-UHFFFAOYSA-N 0 0 384.391 5.507 50 0 GKAARN COc1cc2c(cc1NC(=O)c1cccc(Br)c1)oc1ccccc12 ZINC000004704975 208718500 /nfs/dbraw/zinc/71/85/00/208718500.db2.gz TYCSPXIZTPWZTC-UHFFFAOYSA-N 0 0 396.240 5.609 50 0 GKAARN C[C@H](NC(=O)c1ccc(F)cc1Br)c1cccc(C(F)(F)F)c1 ZINC000008935511 208725616 /nfs/dbraw/zinc/72/56/16/208725616.db2.gz ZQTFKYYSILQHCC-VIFPVBQESA-N 0 0 390.174 5.098 50 0 GKAARN CN(Cc1ccc(Br)s1)C(=O)Nc1cccc2ccccc21 ZINC000011004357 208762007 /nfs/dbraw/zinc/76/20/07/208762007.db2.gz NMZCDLKFOULGTA-UHFFFAOYSA-N 0 0 375.291 5.328 50 0 GKAARN CCOc1ccc(-c2nc(CC(=O)Nc3cccc(SC)c3)cs2)cc1 ZINC000012975435 208779587 /nfs/dbraw/zinc/77/95/87/208779587.db2.gz GCBKBYAEWIXZSX-UHFFFAOYSA-N 0 0 384.526 5.112 50 0 GKAARN COc1cc2ccccc2cc1C(=O)/N=c1/sc2c(ccc3ccccc23)n1C ZINC000011852841 208765753 /nfs/dbraw/zinc/76/57/53/208765753.db2.gz ZVCWSPDBINFDIJ-OCOZRVBESA-N 0 0 398.487 5.296 50 0 GKAARN Cc1sc(NC(=S)N[C@@H](C)c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000017079209 208799987 /nfs/dbraw/zinc/79/99/87/208799987.db2.gz LMGAWAXQMXMQPV-LBPRGKRZSA-N 0 0 387.961 5.820 50 0 GKAARN Cc1ccccc1Nc1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc2n1 ZINC000020212301 208808926 /nfs/dbraw/zinc/80/89/26/208808926.db2.gz WASBWUKJDGKKRI-AQOAWAETSA-N 0 0 387.527 5.841 50 0 GKAARN Cc1ccc(Nc2nn(CN(Cc3ccncc3)C3CC3)c(=S)s2)c(C)c1 ZINC000057406591 208846560 /nfs/dbraw/zinc/84/65/60/208846560.db2.gz XSLLBECEGXLUSE-UHFFFAOYSA-N 0 0 397.573 5.052 50 0 GKAARN Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(Br)c1 ZINC000000753327 220457972 /nfs/dbraw/zinc/45/79/72/220457972.db2.gz OETRFOJVIGDFGJ-UHFFFAOYSA-N 0 0 382.685 5.045 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccco3)cc2)cc1 ZINC000000843734 220461043 /nfs/dbraw/zinc/46/10/43/220461043.db2.gz TVXPCRZDZOYXEU-CCEZHUSRSA-N 0 0 388.467 5.481 50 0 GKAARN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc(F)cc1Cl ZINC000058011271 208853952 /nfs/dbraw/zinc/85/39/52/208853952.db2.gz UKILUQQJHGDXNN-AWEZNQCLSA-N 0 0 388.870 5.054 50 0 GKAARN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccs1 ZINC000001094970 220474961 /nfs/dbraw/zinc/47/49/61/220474961.db2.gz NWTLDKDEMYHJJE-UHFFFAOYSA-N 0 0 390.798 5.740 50 0 GKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1Cl ZINC000023055409 208860090 /nfs/dbraw/zinc/86/00/90/208860090.db2.gz AWHDIBHOJITOND-UHFFFAOYSA-N 0 0 390.270 5.096 50 0 GKAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000001411728 220495536 /nfs/dbraw/zinc/49/55/36/220495536.db2.gz ZLVSNHUBMKZNNB-UHFFFAOYSA-N 0 0 392.238 5.523 50 0 GKAARN CC(C)(C)[C@@H]1CC=C2C(=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)C1 ZINC000001422865 220497757 /nfs/dbraw/zinc/49/77/57/220497757.db2.gz VAWMKCNQDSNMFL-OAHLLOKOSA-N 0 0 394.465 6.018 50 0 GKAARN COc1ccc(-c2c/c(=N\c3cccc(Cl)c3)c3cc(C)ccc3o2)cc1 ZINC000001912127 220501085 /nfs/dbraw/zinc/50/10/85/220501085.db2.gz IHLFOMNMBFAHRM-NJNXFGOHSA-N 0 0 375.855 6.303 50 0 GKAARN CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(C)cc1 ZINC000002105622 220502147 /nfs/dbraw/zinc/50/21/47/220502147.db2.gz RLJOSVXGCGGTTB-HSZRJFAPSA-N 0 0 380.491 6.091 50 0 GKAARN CCCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccoc1C ZINC000002102915 220502327 /nfs/dbraw/zinc/50/23/27/220502327.db2.gz QYXOYIZPTGLAFE-UHFFFAOYSA-N 0 0 383.469 5.444 50 0 GKAARN O=C(Nc1ccccc1Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000002100565 220503414 /nfs/dbraw/zinc/50/34/14/220503414.db2.gz NZJKKCFUFLDXIM-UHFFFAOYSA-N 0 0 379.284 5.427 50 0 GKAARN O=c1cc(-c2ccccc2)c2cc3c(cc2o1)occ3-c1ccc2c(c1)OCO2 ZINC000002110200 220504615 /nfs/dbraw/zinc/50/46/15/220504615.db2.gz CDNFREJAKMEVKD-UHFFFAOYSA-N 0 0 382.371 5.602 50 0 biogenic GKAARN CSc1sc(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1C(C)=O ZINC000002152947 220507055 /nfs/dbraw/zinc/50/70/55/220507055.db2.gz OMEGIQFTJSMVLC-UHFFFAOYSA-N 0 0 379.959 6.425 50 0 GKAARN CCCC(=O)N(c1nc(-c2ccc(C)cc2)c(CC)s1)c1ccc(C)cc1 ZINC000002170926 220507085 /nfs/dbraw/zinc/50/70/85/220507085.db2.gz DICDKSPXIMFHEK-UHFFFAOYSA-N 0 0 378.541 6.454 50 0 GKAARN FC(F)(F)c1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 ZINC000002183262 220507346 /nfs/dbraw/zinc/50/73/46/220507346.db2.gz HZGKWMQVEYUCKY-UHFFFAOYSA-N 0 0 394.809 5.116 50 0 GKAARN Cc1cccc2c(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc(-c3ccccc3)nc12 ZINC000002302853 220520564 /nfs/dbraw/zinc/52/05/64/220520564.db2.gz KHYOHKVDZBVXSV-SFHVURJKSA-N 0 0 395.458 5.638 50 0 GKAARN CN(C)c1ccc([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1 ZINC000002233008 220512808 /nfs/dbraw/zinc/51/28/08/220512808.db2.gz BJUMEVUJYVPYFR-OAQYLSRUSA-N 0 0 395.480 5.635 50 0 GKAARN COc1cc2c(cc1CNc1ccc(F)c(F)c1)oc(C)c2-c1ccccc1 ZINC000002290548 220519131 /nfs/dbraw/zinc/51/91/31/220519131.db2.gz MYMSTPQVDBDRRE-UHFFFAOYSA-N 0 0 379.406 6.307 50 0 GKAARN COc1ccccc1-n1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000002301298 220520264 /nfs/dbraw/zinc/52/02/64/220520264.db2.gz FJBSBLUHPLSYPG-UHFFFAOYSA-N 0 0 397.261 5.368 50 0 GKAARN CCOc1cccc(-c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)c1 ZINC000002396499 220530116 /nfs/dbraw/zinc/53/01/16/220530116.db2.gz WJGRMLSBCVHBTG-UHFFFAOYSA-N 0 0 391.283 5.225 50 0 GKAARN C/C(Cl)=C/CSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000002316509 220521240 /nfs/dbraw/zinc/52/12/40/220521240.db2.gz QXDYDOVQEYAZOM-BRNRAETOSA-N 0 0 381.998 5.659 50 0 GKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCc1ccccc1C(F)(F)F ZINC000028575720 208951412 /nfs/dbraw/zinc/95/14/12/208951412.db2.gz RADOTCCOOSSHOE-UHFFFAOYSA-N 0 0 381.781 5.652 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C)c1-c1cccs1 ZINC000002648400 220548650 /nfs/dbraw/zinc/54/86/50/220548650.db2.gz DRZVKVXURROAPJ-UHFFFAOYSA-N 0 0 389.473 5.353 50 0 GKAARN CCn1c2ccccc2c(-c2csc(NCCOC)n2)c1-c1ccccc1 ZINC000002646136 220548992 /nfs/dbraw/zinc/54/89/92/220548992.db2.gz AOHGACFHKUYHMZ-UHFFFAOYSA-N 0 0 377.513 5.510 50 0 GKAARN O=C(CSc1ccc2ccccc2c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000225744363 208973471 /nfs/dbraw/zinc/97/34/71/208973471.db2.gz QMEIRDCRIYUPQI-UHFFFAOYSA-N 0 0 395.368 5.275 50 0 GKAARN COc1ccc2c(c1)c1nnc(-c3ccc(C)cc3)c-1cn2Cc1ccc(C)cc1 ZINC000002689442 220551794 /nfs/dbraw/zinc/55/17/94/220551794.db2.gz NCOYTRMNJCIFQN-UHFFFAOYSA-N 0 0 393.490 5.877 50 0 GKAARN Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1Cl ZINC000002723078 220557256 /nfs/dbraw/zinc/55/72/56/220557256.db2.gz HSVKNLYOUSMFCB-UHFFFAOYSA-N 0 0 385.920 5.182 50 0 GKAARN Cc1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000002734331 220557710 /nfs/dbraw/zinc/55/77/10/220557710.db2.gz PTCKIPMAIFGFSF-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN COc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)c(OC)cc1Cl ZINC000002737854 220558810 /nfs/dbraw/zinc/55/88/10/220558810.db2.gz WXHRVNMAXCQNOK-UHFFFAOYSA-N 0 0 395.842 5.234 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](c1sccc1C)Nc1ccccc1-2 ZINC000002741787 220560620 /nfs/dbraw/zinc/56/06/20/220560620.db2.gz NCARJJHPLXCLNB-SFHVURJKSA-N 0 0 384.530 5.304 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](/C=C/c1cccs1)Nc1ccccc1-2 ZINC000002742209 220560792 /nfs/dbraw/zinc/56/07/92/220560792.db2.gz OHXOUHGNVVTIBS-DVQDXYAYSA-N 0 0 396.541 5.336 50 0 GKAARN CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1cccc(F)c1 ZINC000002760324 220562061 /nfs/dbraw/zinc/56/20/61/220562061.db2.gz GEABXXDDSKIISD-UHFFFAOYSA-N 0 0 383.444 5.292 50 0 GKAARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002766855 220562117 /nfs/dbraw/zinc/56/21/17/220562117.db2.gz LHCHBJUMHDVJTN-UHFFFAOYSA-N 0 0 394.279 5.637 50 0 GKAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1 ZINC000002762918 220562688 /nfs/dbraw/zinc/56/26/88/220562688.db2.gz UJGRGEJMAJMJSR-UHFFFAOYSA-N 0 0 380.662 5.144 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc5ccccc54)c3)oc2c1 ZINC000002765533 220563018 /nfs/dbraw/zinc/56/30/18/220563018.db2.gz IZJZNQZLELNIET-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3o1)C[C@@H](CC)CC2 ZINC000002708317 220554683 /nfs/dbraw/zinc/55/46/83/220554683.db2.gz ZNARRSQPEVJEAP-ZDUSSCGKSA-N 0 0 397.496 5.438 50 0 GKAARN CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002721776 220556700 /nfs/dbraw/zinc/55/67/00/220556700.db2.gz DGGVJAPOXSWQCA-UHFFFAOYSA-N 0 0 399.946 5.391 50 0 GKAARN O=C(OCc1cccc(Cl)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002845064 220572910 /nfs/dbraw/zinc/57/29/10/220572910.db2.gz CFRYINMJIIGJNW-UHFFFAOYSA-N 0 0 390.826 5.414 50 0 GKAARN COc1ccc([C@H](NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 ZINC000002846735 220573523 /nfs/dbraw/zinc/57/35/23/220573523.db2.gz PNNMBHBASGXGPN-AREMUKBSSA-N 0 0 393.486 5.882 50 0 GKAARN CSc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000002845125 220574017 /nfs/dbraw/zinc/57/40/17/220574017.db2.gz YFDQKPPIPZCYLE-UHFFFAOYSA-N 0 0 383.542 5.477 50 0 GKAARN Cc1cccc(CNC(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)c1 ZINC000064968485 209001592 /nfs/dbraw/zinc/00/15/92/209001592.db2.gz WEDVLPQNYCNJDI-UHFFFAOYSA-N 0 0 390.870 5.310 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)OCc2ccc(Br)cc2)cc1 ZINC000002775103 220564520 /nfs/dbraw/zinc/56/45/20/220564520.db2.gz CIDPEVXGGRPQGG-OALUTQOASA-N 0 0 387.317 5.594 50 0 GKAARN CCc1ccccc1NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000064666410 209002576 /nfs/dbraw/zinc/00/25/76/209002576.db2.gz LSTLEQCDVXRJGI-UHFFFAOYSA-N 0 0 395.915 5.770 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CSCc1cccc(Br)c1 ZINC000032794328 208990148 /nfs/dbraw/zinc/99/01/48/208990148.db2.gz XPGJEIQFHKLZDU-UHFFFAOYSA-N 0 0 392.362 5.753 50 0 GKAARN Cc1ccc(C(C)C)c(OCC(=O)NCCCCOc2ccc(Cl)cc2)c1 ZINC000032836115 208991212 /nfs/dbraw/zinc/99/12/12/208991212.db2.gz UFEAPWYROQXIBB-UHFFFAOYSA-N 0 0 389.923 5.126 50 0 GKAARN COc1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc(Cl)c1OC ZINC000032972077 208995171 /nfs/dbraw/zinc/99/51/71/208995171.db2.gz UKNGOICYAJNJRU-UHFFFAOYSA-N 0 0 379.843 5.181 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002817721 220570514 /nfs/dbraw/zinc/57/05/14/220570514.db2.gz HEELSINDAFUUNQ-UHFFFAOYSA-N 0 0 389.854 6.163 50 0 GKAARN Brc1ccc(C2=NO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000032934870 208995471 /nfs/dbraw/zinc/99/54/71/208995471.db2.gz FLSWKTAOPORDIG-OAHLLOKOSA-N 0 0 381.067 5.077 50 0 GKAARN Cc1cc(Br)ccc1OCCn1c2ccccc2c2ccccc21 ZINC000002992845 220593475 /nfs/dbraw/zinc/59/34/75/220593475.db2.gz ZFBDIHTYZAAGLK-UHFFFAOYSA-N 0 0 380.285 5.944 50 0 GKAARN COc1ccc(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCCC2)cc1 ZINC000002997593 220595283 /nfs/dbraw/zinc/59/52/83/220595283.db2.gz NRYSGJWRKYLXMY-UHFFFAOYSA-N 0 0 399.534 5.455 50 0 biogenic GKAARN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)c(C)c1C ZINC000002998184 220594216 /nfs/dbraw/zinc/59/42/16/220594216.db2.gz YMWUGJINEXDFOY-UHFFFAOYSA-N 0 0 396.295 5.235 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1Cl ZINC000002874030 220577364 /nfs/dbraw/zinc/57/73/64/220577364.db2.gz ZWWGANQRTWUQTK-UHFFFAOYSA-N 0 0 389.076 5.082 50 0 GKAARN CCn1c(COc2ccccc2)nnc1SCc1cccc2ccccc21 ZINC000002874667 220579810 /nfs/dbraw/zinc/57/98/10/220579810.db2.gz NXOLACUTKSBAMZ-UHFFFAOYSA-N 0 0 375.497 5.323 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)N([C@@H](C)c1ccco1)C1CCCCC1 ZINC000002943831 220586660 /nfs/dbraw/zinc/58/66/60/220586660.db2.gz VWHSNUORLAMMEX-HNNXBMFYSA-N 0 0 376.953 6.334 50 0 GKAARN COc1ccc(C(=O)C[C@@H](Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 ZINC000002944152 220587252 /nfs/dbraw/zinc/58/72/52/220587252.db2.gz XBTUAHSPQMKSIN-JOCHJYFZSA-N 0 0 379.887 6.083 50 0 GKAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(F)c(Cl)c1 ZINC000002949457 220587289 /nfs/dbraw/zinc/58/72/89/220587289.db2.gz CESSRVADPIMQIM-OAHLLOKOSA-N 0 0 375.774 5.277 50 0 GKAARN Cc1cc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc(C)c1Cl ZINC000002998079 220595168 /nfs/dbraw/zinc/59/51/68/220595168.db2.gz PUQDQLSHLUJSQB-UHFFFAOYSA-N 0 0 396.712 5.354 50 0 GKAARN CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(C)cc4)c(C)s3)c(=O)oc2c1 ZINC000002964187 220590102 /nfs/dbraw/zinc/59/01/02/220590102.db2.gz WRYLHPGQJPNLMB-UHFFFAOYSA-N 0 0 391.448 5.126 50 0 GKAARN CN(c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C1CCCCC1 ZINC000002974827 220590222 /nfs/dbraw/zinc/59/02/22/220590222.db2.gz FUZROXNVDNYGHE-UHFFFAOYSA-N 0 0 382.511 5.856 50 0 GKAARN O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000002971888 220590713 /nfs/dbraw/zinc/59/07/13/220590713.db2.gz FLGLJNLPIBZDBO-QNGOZBTKSA-N 0 0 387.460 5.507 50 0 GKAARN COc1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2Cl)cc1 ZINC000002991381 220593235 /nfs/dbraw/zinc/59/32/35/220593235.db2.gz FUWVNQAEVWIMBE-UHFFFAOYSA-N 0 0 378.896 5.121 50 0 GKAARN O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccc(Cl)c(Cl)c1 ZINC000003015206 220597345 /nfs/dbraw/zinc/59/73/45/220597345.db2.gz GEUGXKPPORSOMF-NVNXTCNLSA-N 0 0 379.268 5.099 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 ZINC000003030082 220598728 /nfs/dbraw/zinc/59/87/28/220598728.db2.gz KPNRKHSQDVWVEC-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cc1ccc(NC(=S)NC[C@@H](C)CSc2ccc(Cl)cc2)cc1C ZINC000003026065 220598733 /nfs/dbraw/zinc/59/87/33/220598733.db2.gz JQPXXWJUIPSQJA-CYBMUJFWSA-N 0 0 378.994 5.672 50 0 GKAARN CCCOC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 ZINC000003037922 220600052 /nfs/dbraw/zinc/60/00/52/220600052.db2.gz YNEVBGCLHHWRAH-UHFFFAOYSA-N 0 0 395.543 6.101 50 0 GKAARN Cc1cc(Nc2cccc3ccccc32)nc(Nc2cccc3ccccc32)n1 ZINC000003114780 220605064 /nfs/dbraw/zinc/60/50/64/220605064.db2.gz OVSJIFMQFOXPQF-UHFFFAOYSA-N 0 0 376.463 6.579 50 0 GKAARN C[C@@H](NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)c1ccccc1 ZINC000003168801 220607235 /nfs/dbraw/zinc/60/72/35/220607235.db2.gz RKPHLGBKPQJMBC-FIOICXDGSA-N 0 0 393.433 5.706 50 0 GKAARN Cc1ccc(N[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003147869 220607445 /nfs/dbraw/zinc/60/74/45/220607445.db2.gz SKVKWOZPPWDOHZ-OAHLLOKOSA-N 0 0 392.113 5.187 50 0 GKAARN CCCCC[C@H](C)NC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000003225689 220611573 /nfs/dbraw/zinc/61/15/73/220611573.db2.gz XIEMOFRDDHURMS-IBGZPJMESA-N 0 0 396.534 6.754 50 0 GKAARN CCN(C(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccccc1 ZINC000003238518 220613692 /nfs/dbraw/zinc/61/36/92/220613692.db2.gz VQSBFVJYMBTHHJ-UHFFFAOYSA-N 0 0 395.543 5.492 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(Cl)c1Cl ZINC000003236610 220613914 /nfs/dbraw/zinc/61/39/14/220613914.db2.gz NIEIOJOSJSVAPX-UHFFFAOYSA-N 0 0 381.646 5.863 50 0 GKAARN C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003246367 220614769 /nfs/dbraw/zinc/61/47/69/220614769.db2.gz NJHWPVBUXVTCNL-LBPRGKRZSA-N 0 0 394.298 5.475 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CSc1nnc2sc3ccccc3n12 ZINC000003257780 220616158 /nfs/dbraw/zinc/61/61/58/220616158.db2.gz UNYKWBISDDFUSO-UHFFFAOYSA-N 0 0 396.541 5.107 50 0 GKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 ZINC000003260619 220616774 /nfs/dbraw/zinc/61/67/74/220616774.db2.gz OJCKEVAEYWBYLH-UHFFFAOYSA-N 0 0 394.496 5.090 50 0 GKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OCc1ccc(F)cc1 ZINC000003334560 220628964 /nfs/dbraw/zinc/62/89/64/220628964.db2.gz OKPJSFFUESUWET-QFIPXVFZSA-N 0 0 375.443 5.212 50 0 GKAARN C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000003344648 220630809 /nfs/dbraw/zinc/63/08/09/220630809.db2.gz DCDSPBDUOHTFBN-AWEZNQCLSA-N 0 0 386.278 6.277 50 0 GKAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000003344848 220631326 /nfs/dbraw/zinc/63/13/26/220631326.db2.gz ZOYNWCBYKUMFFK-UHFFFAOYSA-N 0 0 398.428 5.365 50 0 GKAARN Cc1ccc(NC(=O)OCc2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000003367908 220634692 /nfs/dbraw/zinc/63/46/92/220634692.db2.gz XKRWZUDWHYQSQI-UHFFFAOYSA-N 0 0 389.480 5.658 50 0 GKAARN O=C(CCCSc1ncnc2ccccc21)c1ccc(Br)cc1 ZINC000003378324 220636603 /nfs/dbraw/zinc/63/66/03/220636603.db2.gz GIWKAFAATDJDAI-UHFFFAOYSA-N 0 0 387.302 5.148 50 0 GKAARN O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000003376174 220638162 /nfs/dbraw/zinc/63/81/62/220638162.db2.gz SBGHIYDAVJQEGT-OUKQBFOZSA-N 0 0 388.517 6.191 50 0 GKAARN O=C(CCCc1cccs1)Nc1cc(Cl)ccc1Sc1ccccc1 ZINC000003403064 220638677 /nfs/dbraw/zinc/63/86/77/220638677.db2.gz LITMXGIEOPAOTK-UHFFFAOYSA-N 0 0 387.957 6.514 50 0 GKAARN O=C(Nc1cccnc1)c1sc(Nc2ccc(F)cc2)nc1-c1ccccc1 ZINC000003264096 220618108 /nfs/dbraw/zinc/61/81/08/220618108.db2.gz ABMHPVAJMHRSIO-UHFFFAOYSA-N 0 0 390.443 5.340 50 0 GKAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000003287415 220620928 /nfs/dbraw/zinc/62/09/28/220620928.db2.gz PCRCKHZNJUZLQA-SNVBAGLBSA-N 0 0 383.300 5.071 50 0 GKAARN CCCCCOc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003297299 220622539 /nfs/dbraw/zinc/62/25/39/220622539.db2.gz UIAKJFRBQYOENX-UHFFFAOYSA-N 0 0 391.467 5.204 50 0 GKAARN O=C(Cc1coc2ccc3ccccc3c12)OCC(=O)c1ccc(Cl)s1 ZINC000003297468 220622816 /nfs/dbraw/zinc/62/28/16/220622816.db2.gz ZBTBDYFNAKQDRC-UHFFFAOYSA-N 0 0 384.840 5.270 50 0 GKAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1cccc(Cl)c1 ZINC000003317024 220626586 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CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccoc1 ZINC000009366119 221079418 /nfs/dbraw/zinc/07/94/18/221079418.db2.gz KEYIDFXOHCCTDH-UHFFFAOYSA-N 0 0 391.858 5.058 50 0 GKAARN CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(F)cc1 ZINC000009418984 221079758 /nfs/dbraw/zinc/07/97/58/221079758.db2.gz JWTSJIXXASZYSQ-UHFFFAOYSA-N 0 0 390.462 5.450 50 0 GKAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCCC2)c1C ZINC000009461182 221081396 /nfs/dbraw/zinc/08/13/96/221081396.db2.gz XABKWPVXDKFQON-UHFFFAOYSA-N 0 0 388.511 5.258 50 0 GKAARN Cc1cc2occ(CC(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2cc1C ZINC000009436279 221081558 /nfs/dbraw/zinc/08/15/58/221081558.db2.gz LRXDISVZPKMWBM-UHFFFAOYSA-N 0 0 396.830 5.039 50 0 GKAARN Cc1c2cc(C)cc(C)c2oc1C(=O)N(Cc1ccco1)Cc1ccc(C)cc1 ZINC000009431937 221081907 /nfs/dbraw/zinc/08/19/07/221081907.db2.gz CTCLZNPSJDJGIP-UHFFFAOYSA-N 0 0 387.479 6.102 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)c1 ZINC000009461012 221081931 /nfs/dbraw/zinc/08/19/31/221081931.db2.gz YSFYPLYITNODPX-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Fc1ccc(F)c(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)c1 ZINC000009482322 221083167 /nfs/dbraw/zinc/08/31/67/221083167.db2.gz SPUZLUOLVPOZAW-UHFFFAOYSA-N 0 0 383.210 5.105 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000009527011 221083555 /nfs/dbraw/zinc/08/35/55/221083555.db2.gz HWMGCIQANGIWEM-UHFFFAOYSA-N 0 0 379.822 5.842 50 0 GKAARN O=C(Nc1ccccc1Cc1ccccc1)c1sc2sccc2c1Cl ZINC000009513973 221083671 /nfs/dbraw/zinc/08/36/71/221083671.db2.gz LWUMNKHBTOWNRJ-UHFFFAOYSA-N 0 0 383.925 6.459 50 0 GKAARN CCCCCCC1CCC(c2noc(-c3ccc(OCCCC)cc3)n2)CC1 ZINC000009553808 221084959 /nfs/dbraw/zinc/08/49/59/221084959.db2.gz IAJVZYBVXGIFEF-UHFFFAOYSA-N 0 0 384.564 7.160 50 0 GKAARN CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000009573300 221085338 /nfs/dbraw/zinc/08/53/38/221085338.db2.gz KHMCCBCDEHVYOP-UHFFFAOYSA-N 0 0 397.482 5.366 50 0 GKAARN Cc1ccc(-c2onc3ccc(C(=O)Nc4cc(Cl)ccc4C)cc32)cc1 ZINC000009581519 221085924 /nfs/dbraw/zinc/08/59/24/221085924.db2.gz PTSORZNETWEGRX-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCn1c(SCc2ccccc2F)nnc1-c1cc2cccc(OC)c2o1 ZINC000009582359 221086314 /nfs/dbraw/zinc/08/63/14/221086314.db2.gz ATFFJYXXIIJBRP-UHFFFAOYSA-N 0 0 383.448 5.151 50 0 GKAARN C[C@@H](O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1Br ZINC000009592468 221086451 /nfs/dbraw/zinc/08/64/51/221086451.db2.gz VYUUNPZWKGZQRK-GFCCVEGCSA-N 0 0 376.294 5.052 50 0 GKAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccccc2)nn1 ZINC000009578122 221086527 /nfs/dbraw/zinc/08/65/27/221086527.db2.gz RQZAKPABATUZIZ-UHFFFAOYSA-N 0 0 393.512 6.007 50 0 GKAARN Cc1c2ccccc2oc1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000009594319 221086612 /nfs/dbraw/zinc/08/66/12/221086612.db2.gz VZCKQZDFKDDFTN-UHFFFAOYSA-N 0 0 389.480 5.174 50 0 GKAARN CC(C)c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000009645664 221087044 /nfs/dbraw/zinc/08/70/44/221087044.db2.gz UYLDVIUOMCCPNV-JOCHJYFZSA-N 0 0 387.458 6.201 50 0 GKAARN CC(C)[C@@H]1C[C@@](CC(=O)N2CCCCC2)(Cc2ccccc2Cl)CCO1 ZINC000008991956 221067680 /nfs/dbraw/zinc/06/76/80/221067680.db2.gz NVTHEJNICUMOBK-UNMCSNQZSA-N 0 0 377.956 5.107 50 0 GKAARN CC(C)[C@H]1C[C@](CC(=O)N2CCCCC2)(Cc2ccccc2Cl)CCO1 ZINC000008991955 221067686 /nfs/dbraw/zinc/06/76/86/221067686.db2.gz NVTHEJNICUMOBK-IFMALSPDSA-N 0 0 377.956 5.107 50 0 GKAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1F ZINC000009053875 221069336 /nfs/dbraw/zinc/06/93/36/221069336.db2.gz BURQUQCLBGLUEV-QMMMGPOBSA-N 0 0 378.778 5.012 50 0 GKAARN O=C(Nc1ccc(O)c(-c2nc3ncccc3o2)c1)C1(c2ccccc2)CCCC1 ZINC000010372799 221101362 /nfs/dbraw/zinc/10/13/62/221101362.db2.gz KOZJPYPABFIMKW-UHFFFAOYSA-N 0 0 399.450 5.046 50 0 GKAARN CCOc1ccc(CCC2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000010994175 221109880 /nfs/dbraw/zinc/10/98/80/221109880.db2.gz VXMVHWRWTVNTOO-UHFFFAOYSA-N 0 0 388.511 5.119 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(F)c1 ZINC000010515543 221103725 /nfs/dbraw/zinc/10/37/25/221103725.db2.gz CXXHNLAGVJMOCE-UHFFFAOYSA-N 0 0 394.475 5.441 50 0 GKAARN O=C(CCCSCc1ccccc1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000010616958 221105122 /nfs/dbraw/zinc/10/51/22/221105122.db2.gz BMWMZDBUPVDNRL-UHFFFAOYSA-N 0 0 380.538 5.366 50 0 GKAARN O=C(c1nc2ccccc2s1)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000010526956 221105382 /nfs/dbraw/zinc/10/53/82/221105382.db2.gz OBBAVCCSCDAVAP-UHFFFAOYSA-N 0 0 391.477 5.346 50 0 GKAARN Cn1ccnc1[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000010656473 221105980 /nfs/dbraw/zinc/10/59/80/221105980.db2.gz FEXOHJQNELCEAU-JOCHJYFZSA-N 0 0 391.490 5.126 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21 ZINC000010641874 221106044 /nfs/dbraw/zinc/10/60/44/221106044.db2.gz XXXOSBSPNUHFSY-UHFFFAOYSA-N 0 0 391.496 5.691 50 0 GKAARN COc1ccc2oc(-c3csc(NC(=O)c4ccc(C(C)=O)cc4)n3)cc2c1 ZINC000010882579 221108391 /nfs/dbraw/zinc/10/83/91/221108391.db2.gz QIHMGBDINYJJQW-UHFFFAOYSA-N 0 0 392.436 5.020 50 0 GKAARN O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1C1CC1 ZINC000010956138 221109180 /nfs/dbraw/zinc/10/91/80/221109180.db2.gz WTWUQOUSPKGQBH-UHFFFAOYSA-N 0 0 376.403 5.043 50 0 GKAARN Cc1cccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c1C ZINC000009683280 221088660 /nfs/dbraw/zinc/08/86/60/221088660.db2.gz SKUSVZXKLGRNNZ-NRFANRHFSA-N 0 0 389.886 6.208 50 0 GKAARN CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4cccs4)ccc3o2)cc1 ZINC000009660116 221088883 /nfs/dbraw/zinc/08/88/83/221088883.db2.gz PZJDLRBAPKWLGN-UHFFFAOYSA-N 0 0 389.476 5.897 50 0 GKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)c1 ZINC000009660096 221089021 /nfs/dbraw/zinc/08/90/21/221089021.db2.gz IEHRDZJXXQOSMX-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 biogenic GKAARN CC1=Nc2ccccc2N=C(NC(=O)c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000009698458 221090297 /nfs/dbraw/zinc/09/02/97/221090297.db2.gz PJANQFXTIPBJAY-NRFANRHFSA-N 0 0 389.405 5.315 50 0 GKAARN C[C@H](NC(=O)c1ccc(N2CCOc3ccc(Cl)cc32)s1)c1ccccc1 ZINC000009686896 221090537 /nfs/dbraw/zinc/09/05/37/221090537.db2.gz YZHFUJOFWNNECL-AWEZNQCLSA-N 0 0 398.915 5.423 50 0 GKAARN CCc1ccccc1NC(=O)NCc1cccn1Cc1c(C)cc(C)cc1C ZINC000009723154 221090846 /nfs/dbraw/zinc/09/08/46/221090846.db2.gz FSEUMKQBVRZOTI-UHFFFAOYSA-N 0 0 375.516 5.346 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 ZINC000009827864 221092145 /nfs/dbraw/zinc/09/21/45/221092145.db2.gz KLOJYTHKUNXVQZ-UHFFFAOYSA-N 0 0 386.451 5.594 50 0 GKAARN Cc1cccc(-c2nnn3c2nc(N2CCC[C@@H](C)C2)c2cc(Cl)ccc23)c1 ZINC000009858916 221092539 /nfs/dbraw/zinc/09/25/39/221092539.db2.gz VRTUMTUHBMDCSO-OAHLLOKOSA-N 0 0 391.906 5.143 50 0 GKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3n2)cc1 ZINC000010069215 221097006 /nfs/dbraw/zinc/09/70/06/221097006.db2.gz CZKABOSGVWEMKP-UHFFFAOYSA-N 0 0 391.496 5.249 50 0 GKAARN COc1ccc(-c2nc(NC(=O)Cc3ccc(Cl)s3)sc2C)cc1 ZINC000010061025 221097144 /nfs/dbraw/zinc/09/71/44/221097144.db2.gz IWUSVHRZAMVWFB-UHFFFAOYSA-N 0 0 378.906 5.023 50 0 GKAARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000010215612 221098202 /nfs/dbraw/zinc/09/82/02/221098202.db2.gz NSDIVTIQPUMHLN-ZJSXRUAMSA-N 0 0 385.467 5.031 50 0 GKAARN CCc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 ZINC000010213493 221098924 /nfs/dbraw/zinc/09/89/24/221098924.db2.gz JUKCSCPSKUDBJC-UHFFFAOYSA-N 0 0 394.910 5.175 50 0 GKAARN Cc1c2cccc(F)c2oc1C(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000011817959 221127227 /nfs/dbraw/zinc/12/72/27/221127227.db2.gz VOVSBAWVPAQIAH-QGZVFWFLSA-N 0 0 381.447 5.213 50 0 GKAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](OCc2ccccc2)C1 ZINC000011816449 221127560 /nfs/dbraw/zinc/12/75/60/221127560.db2.gz UNEKXDXLJXPBJW-IBGZPJMESA-N 0 0 396.918 5.485 50 0 GKAARN CC(C)(C)c1ccc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2c1 ZINC000011869700 221133517 /nfs/dbraw/zinc/13/35/17/221133517.db2.gz YKTKAGFDPCMWHP-UHFFFAOYSA-N 0 0 397.268 6.266 50 0 GKAARN Cc1cc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c(C)n1C1CC1 ZINC000011181111 221112148 /nfs/dbraw/zinc/11/21/48/221112148.db2.gz PRRKRSDSYPLCRL-UHFFFAOYSA-N 0 0 377.513 5.579 50 0 GKAARN Cc1nn(C)c2sc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc12 ZINC000011237280 221112864 /nfs/dbraw/zinc/11/28/64/221112864.db2.gz SLNVLIUJBFDVBK-UHFFFAOYSA-N 0 0 399.903 5.129 50 0 GKAARN C[C@@H](c1nnc(SCc2ccc(F)cc2)n1-c1ccccc1)N1CCCCC1 ZINC000011214855 221113585 /nfs/dbraw/zinc/11/35/85/221113585.db2.gz BNOSVZCCTDNDGK-KRWDZBQOSA-N 0 0 396.535 5.246 50 0 GKAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(Cl)sc1Cl ZINC000011252945 221113644 /nfs/dbraw/zinc/11/36/44/221113644.db2.gz OQBRIRBBISVIGK-UHFFFAOYSA-N 0 0 398.233 5.064 50 0 GKAARN CC(C)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 ZINC000011451251 221115666 /nfs/dbraw/zinc/11/56/66/221115666.db2.gz AXZPTOBDGPGXMN-UHFFFAOYSA-N 0 0 391.496 5.071 50 0 GKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(OC(C)C)n1 ZINC000011613286 221117037 /nfs/dbraw/zinc/11/70/37/221117037.db2.gz RGVBSUFUJSIABW-UHFFFAOYSA-N 0 0 395.438 5.099 50 0 GKAARN CCOc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1OCC ZINC000011656353 221118541 /nfs/dbraw/zinc/11/85/41/221118541.db2.gz BLPOFKKTSDYQCG-UHFFFAOYSA-N 0 0 388.514 5.230 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)Nc3nc4ccc(C)cc4s3)o2)cc1 ZINC000011684010 221120270 /nfs/dbraw/zinc/12/02/70/221120270.db2.gz HDUCHMMVIDYDIH-UHFFFAOYSA-N 0 0 377.469 5.139 50 0 GKAARN CC[C@H](C)c1ccc(Cn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000011667170 221120613 /nfs/dbraw/zinc/12/06/13/221120613.db2.gz LFNWIUMVVGLOCK-KRWDZBQOSA-N 0 0 387.483 5.121 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000011689984 221121347 /nfs/dbraw/zinc/12/13/47/221121347.db2.gz PMHYNTXJSLIRRG-UHFFFAOYSA-N 0 0 397.858 5.348 50 0 GKAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2cccs2)c2ccccn2)cc1 ZINC000011917182 221137206 /nfs/dbraw/zinc/13/72/06/221137206.db2.gz KALDDPHONUMVEO-UHFFFAOYSA-N 0 0 380.513 5.053 50 0 GKAARN CSc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)cc1 ZINC000011938486 221139016 /nfs/dbraw/zinc/13/90/16/221139016.db2.gz JOEKFLCLAPXXOA-NRFANRHFSA-N 0 0 379.529 5.494 50 0 GKAARN O=C(C1CCCCC1)N(Cc1cccc(OCCc2ccsc2)c1)C1CC1 ZINC000012035378 221144477 /nfs/dbraw/zinc/14/44/77/221144477.db2.gz ACMWPUPKARPCGN-UHFFFAOYSA-N 0 0 383.557 5.441 50 0 GKAARN O=C(CCc1ccco1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000012073290 221147362 /nfs/dbraw/zinc/14/73/62/221147362.db2.gz BIXGPZLRNXPWCU-XMMPIXPASA-N 0 0 388.442 5.007 50 0 GKAARN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3ccccc3F)on2)cc1 ZINC000012119706 221152883 /nfs/dbraw/zinc/15/28/83/221152883.db2.gz YSATYHXVPJEWME-NRFANRHFSA-N 0 0 394.446 5.247 50 0 GKAARN COc1ccc(C(=O)CSc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000012138989 221157875 /nfs/dbraw/zinc/15/78/75/221157875.db2.gz NQVUXCJVMSJULD-UHFFFAOYSA-N 0 0 386.476 5.280 50 0 GKAARN Fc1ccc([C@@H]2CCN(CCCC(F)(F)F)c3ccccc3S2)c(F)c1 ZINC000012152511 221160187 /nfs/dbraw/zinc/16/01/87/221160187.db2.gz JZAWXVYSUGKRED-KRWDZBQOSA-N 0 0 387.417 6.351 50 0 GKAARN Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000011914559 221136440 /nfs/dbraw/zinc/13/64/40/221136440.db2.gz SZMJTLNCTIGWAK-UHFFFAOYSA-N 0 0 385.916 5.631 50 0 GKAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000011914716 221136556 /nfs/dbraw/zinc/13/65/56/221136556.db2.gz NGZQFTLMWWDYEQ-CQSZACIVSA-N 0 0 392.455 5.508 50 0 GKAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000011915913 221136571 /nfs/dbraw/zinc/13/65/71/221136571.db2.gz VPJCYNRMDUZILD-KRWDZBQOSA-N 0 0 394.540 5.087 50 0 GKAARN Cc1ccc(Cc2nnc(NC(=O)c3cccc(SC(C)C)c3)o2)c(C)c1 ZINC000012354939 221183969 /nfs/dbraw/zinc/18/39/69/221183969.db2.gz YZROQOVHBOQQFT-UHFFFAOYSA-N 0 0 381.501 5.030 50 0 GKAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000012176707 221161502 /nfs/dbraw/zinc/16/15/02/221161502.db2.gz VUNGFEDSFXEASC-UHFFFAOYSA-N 0 0 398.793 5.384 50 0 GKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000012192370 221165474 /nfs/dbraw/zinc/16/54/74/221165474.db2.gz WGYUVFNCFBGRMK-IFMALSPDSA-N 0 0 395.289 6.236 50 0 GKAARN COc1ccc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)cc1C ZINC000012209258 221167732 /nfs/dbraw/zinc/16/77/32/221167732.db2.gz RAXLAMZOOWDFLO-GOSISDBHSA-N 0 0 383.517 5.151 50 0 GKAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)nc(C)n1 ZINC000012225986 221170354 /nfs/dbraw/zinc/17/03/54/221170354.db2.gz GZZPOIGHQYCKBU-UHFFFAOYSA-N 0 0 395.438 5.101 50 0 GKAARN Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)on1 ZINC000012422397 221191184 /nfs/dbraw/zinc/19/11/84/221191184.db2.gz KIAIZRWPLJLHFI-UHFFFAOYSA-N 0 0 395.509 5.452 50 0 GKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccs2)cc1 ZINC000012420649 221192270 /nfs/dbraw/zinc/19/22/70/221192270.db2.gz JUELHKBMUAXLRE-QFIPXVFZSA-N 0 0 388.492 5.026 50 0 biogenic,in-vitro GKAARN C[C@H](c1ccon1)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012440361 221194879 /nfs/dbraw/zinc/19/48/79/221194879.db2.gz XOGFRTRFLOUKDP-QGZVFWFLSA-N 0 0 378.520 5.316 50 0 GKAARN CCc1cccc(CC)c1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000012523501 221201344 /nfs/dbraw/zinc/20/13/44/221201344.db2.gz NDVHMQVRQXCRFJ-UHFFFAOYSA-N 0 0 376.456 5.016 50 0 GKAARN Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)c2c[nH]c3ccccc32)c(C)c1 ZINC000012525423 221201402 /nfs/dbraw/zinc/20/14/02/221201402.db2.gz NONPORDLLKTUEA-INIZCTEOSA-N 0 0 375.497 5.334 50 0 GKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(Br)ccc1F ZINC000012526622 221202444 /nfs/dbraw/zinc/20/24/44/221202444.db2.gz YRDLWAXSDNREOG-UHFFFAOYSA-N 0 0 385.236 5.584 50 0 GKAARN O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012533032 221202736 /nfs/dbraw/zinc/20/27/36/221202736.db2.gz IBGFNBBBGALFOE-SANMLTNESA-N 0 0 378.475 5.197 50 0 GKAARN Brc1ccc(SCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000012529738 221203037 /nfs/dbraw/zinc/20/30/37/221203037.db2.gz IZAUMWCXNROYEI-UHFFFAOYSA-N 0 0 395.325 6.056 50 0 GKAARN c1csc(-c2c3oc4ccccc4c3nc3c2CCCCCCCCCC3)c1 ZINC000012544119 221204162 /nfs/dbraw/zinc/20/41/62/221204162.db2.gz XAFCSSMYYZOJQP-UHFFFAOYSA-N 0 0 389.564 7.929 50 0 GKAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Cl)cc1F ZINC000012550908 221204466 /nfs/dbraw/zinc/20/44/66/221204466.db2.gz VIXBUNHKANYXNW-UHFFFAOYSA-N 0 0 385.851 5.037 50 0 GKAARN COc1cccc2c1O[C@H](c1c(F)cccc1F)N1N=C(c3ccccc3)C[C@@H]21 ZINC000012555815 221206627 /nfs/dbraw/zinc/20/66/27/221206627.db2.gz IWQTVYBSYMQLJU-WMZHIEFXSA-N 0 0 392.405 5.216 50 0 GKAARN C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1cccc(Cl)c1 ZINC000012574906 221208778 /nfs/dbraw/zinc/20/87/78/221208778.db2.gz HWYZPVVUZWGDPN-AWEZNQCLSA-N 0 0 395.915 5.136 50 0 GKAARN Cc1ncsc1CCCNC(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000012591238 221211129 /nfs/dbraw/zinc/21/11/29/221211129.db2.gz AQSNSDOFTIHKNL-UHFFFAOYSA-N 0 0 383.517 5.003 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012578040 221209933 /nfs/dbraw/zinc/20/99/33/221209933.db2.gz ALUBEOJHUYVSBW-UHFFFAOYSA-N 0 0 391.858 5.127 50 0 GKAARN COc1ccc([C@@H](C)N(C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1 ZINC000012583705 221210580 /nfs/dbraw/zinc/21/05/80/221210580.db2.gz MTWVVMWVYZGCGN-QGZVFWFLSA-N 0 0 394.515 5.477 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2CCC2CCCCC2)c1 ZINC000012377873 221186481 /nfs/dbraw/zinc/18/64/81/221186481.db2.gz UPWVNXFUVZHGJZ-UHFFFAOYSA-N 0 0 390.571 7.018 50 0 GKAARN CC(C)(C)c1cc(-n2c3ccccc3nc2-c2ccco2)cc(C(C)(C)C)c1O ZINC000012381563 221187931 /nfs/dbraw/zinc/18/79/31/221187931.db2.gz VXKMOMDKYSYVTH-UHFFFAOYSA-N 0 0 388.511 6.586 50 0 GKAARN Cc1cc(-c2nn3c(nnc3-c3cccc(Cl)c3)s2)c2ccccc2n1 ZINC000012408237 221190347 /nfs/dbraw/zinc/19/03/47/221190347.db2.gz NVDRSYWXEZTOEW-UHFFFAOYSA-N 0 0 377.860 5.030 50 0 GKAARN Cc1ccc2c(Cl)c(C(=O)Nc3ccnn3Cc3cccs3)sc2c1 ZINC000012408465 221190474 /nfs/dbraw/zinc/19/04/74/221190474.db2.gz ZZRHBXYYIPACQR-UHFFFAOYSA-N 0 0 387.917 5.422 50 0 GKAARN COc1cc2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)cc2c(OC)c1 ZINC000012600268 221213274 /nfs/dbraw/zinc/21/32/74/221213274.db2.gz XEPTZAVILBLFKJ-UHFFFAOYSA-N 0 0 381.435 5.462 50 0 GKAARN CC(C)(C)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012602843 221214378 /nfs/dbraw/zinc/21/43/78/221214378.db2.gz BIYDMEPZRBKIDI-UHFFFAOYSA-N 0 0 381.479 5.847 50 0 GKAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(SC(F)F)cc1 ZINC000012616611 221214591 /nfs/dbraw/zinc/21/45/91/221214591.db2.gz HUSOLULADUCOEQ-UHFFFAOYSA-N 0 0 392.402 5.367 50 0 GKAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000012616630 221215087 /nfs/dbraw/zinc/21/50/87/221215087.db2.gz PGKVPUCVMCFGCO-YBFXNURJSA-N 0 0 379.818 5.551 50 0 GKAARN CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)o2)cc1 ZINC000012627245 221215288 /nfs/dbraw/zinc/21/52/88/221215288.db2.gz BDNOKRXFCWRHCJ-FQEVSTJZSA-N 0 0 399.450 5.003 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc(-c2ccccc2)cs1 ZINC000012617945 221215620 /nfs/dbraw/zinc/21/56/20/221215620.db2.gz GMAPBTMHPPUPND-UHFFFAOYSA-N 0 0 393.443 5.176 50 0 GKAARN FC(F)(F)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012617433 221215766 /nfs/dbraw/zinc/21/57/66/221215766.db2.gz ROWQHYIRYRWHOA-IRLDBZIGSA-N 0 0 394.396 5.948 50 0 GKAARN Cc1ccccc1NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000012618439 221215805 /nfs/dbraw/zinc/21/58/05/221215805.db2.gz SXILDGHKHNRXQM-UHFFFAOYSA-N 0 0 382.463 5.888 50 0 GKAARN c1ccc(-c2cc(C34CC5CC(CC(C5)C3)C4)nc3sc4c(c32)CCCC4)cc1 ZINC000012652168 221216816 /nfs/dbraw/zinc/21/68/16/221216816.db2.gz NAQLGPVDDNXTSM-UHFFFAOYSA-N 0 0 399.603 7.310 50 0 GKAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccccc3C(C)C)cc2)cs1 ZINC000012636016 221217041 /nfs/dbraw/zinc/21/70/41/221217041.db2.gz TXUDSMFNUMACSX-OAHLLOKOSA-N 0 0 379.529 5.681 50 0 GKAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1 ZINC000012699991 221218100 /nfs/dbraw/zinc/21/81/00/221218100.db2.gz IFWVGAVTUZQTRP-CYBMUJFWSA-N 0 0 376.485 5.452 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCC(=O)c2ccc(C)s2)cc1 ZINC000012679760 221218105 /nfs/dbraw/zinc/21/81/05/221218105.db2.gz XHCGSWFLZPQIHD-IBGZPJMESA-N 0 0 385.529 5.172 50 0 GKAARN Cc1cccn2cc(CSc3nnc(Nc4c(C)cccc4C)s3)nc12 ZINC000012659295 221218113 /nfs/dbraw/zinc/21/81/13/221218113.db2.gz XPQZRMTVTGTAJO-UHFFFAOYSA-N 0 0 381.530 5.147 50 0 GKAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@@H]1c1nccs1 ZINC000012592062 221211470 /nfs/dbraw/zinc/21/14/70/221211470.db2.gz XMGWCIWWQYEQJB-OAQYLSRUSA-N 0 0 389.524 5.987 50 0 GKAARN Cc1cccn2cc(COc3cccc(C(=O)Nc4ccccc4C(C)C)c3)nc12 ZINC000012742951 221224003 /nfs/dbraw/zinc/22/40/03/221224003.db2.gz QSRIVBFVYLOHQN-UHFFFAOYSA-N 0 0 399.494 5.597 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000012749450 221224609 /nfs/dbraw/zinc/22/46/09/221224609.db2.gz WBVZBQKLPVPUIZ-IBGZPJMESA-N 0 0 398.553 5.638 50 0 GKAARN CSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012758939 221226689 /nfs/dbraw/zinc/22/66/89/221226689.db2.gz RYCXERKYSKBDPP-JOCHJYFZSA-N 0 0 394.565 5.056 50 0 GKAARN Cc1ccc(-c2nc(CSc3nnc(-c4cc(C)cc(C)c4)o3)co2)cc1 ZINC000012764246 221228313 /nfs/dbraw/zinc/22/83/13/221228313.db2.gz RAWPVNOAWHLOIB-UHFFFAOYSA-N 0 0 377.469 5.609 50 0 GKAARN Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 ZINC000012772457 221229356 /nfs/dbraw/zinc/22/93/56/221229356.db2.gz BFFYGYCEUNJSRO-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2o1 ZINC000012775339 221230040 /nfs/dbraw/zinc/23/00/40/221230040.db2.gz VZLVVCYFJUCEQA-SECBINFHSA-N 0 0 397.784 5.248 50 0 GKAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(Cl)cc3F)cs2)cc1 ZINC000012777137 221230490 /nfs/dbraw/zinc/23/04/90/221230490.db2.gz OWMWPJUJHWEECY-UHFFFAOYSA-N 0 0 376.840 5.075 50 0 GKAARN C/C=C/c1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(OC)c1OC ZINC000012780626 221230643 /nfs/dbraw/zinc/23/06/43/221230643.db2.gz RAYVBBRTKXSTCV-VIIAAUOXSA-N 0 0 396.512 5.180 50 0 GKAARN CC(=O)c1ccccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000012784465 221231131 /nfs/dbraw/zinc/23/11/31/221231131.db2.gz AJLRWBQFYOWHMC-UHFFFAOYSA-N 0 0 397.430 5.223 50 0 GKAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(S[C@H](C)c2ccccc2Cl)o1 ZINC000012902160 221243907 /nfs/dbraw/zinc/24/39/07/221243907.db2.gz RYFXAVRMHKSOAQ-VXGBXAGGSA-N 0 0 378.856 5.855 50 0 GKAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C[C@H]2C=CCC2)c1 ZINC000012910548 221244801 /nfs/dbraw/zinc/24/48/01/221244801.db2.gz HDCXOBNWWPEAKT-AWEZNQCLSA-N 0 0 391.389 5.801 50 0 GKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2ccccc2)cc1 ZINC000012810770 221235192 /nfs/dbraw/zinc/23/51/92/221235192.db2.gz RXDJLRVBHJECLW-UHFFFAOYSA-N 0 0 384.479 5.439 50 0 GKAARN COc1ccc(-c2nc(C)c(C(=O)Nc3nc4ccc(F)cc4s3)s2)cc1 ZINC000012822207 221237379 /nfs/dbraw/zinc/23/73/79/221237379.db2.gz MQTLQLWFUKYFSN-UHFFFAOYSA-N 0 0 399.472 5.128 50 0 GKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4F)cc(C)c3O)oc2cc1C ZINC000012856675 221238328 /nfs/dbraw/zinc/23/83/28/221238328.db2.gz XTTYOSRIDQPQAM-UHFFFAOYSA-N 0 0 390.414 5.517 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2)o1 ZINC000012876017 221240041 /nfs/dbraw/zinc/24/00/41/221240041.db2.gz VLTYNYSTJNKQEL-CQSZACIVSA-N 0 0 388.389 5.218 50 0 GKAARN O=C(CCc1c[nH]c2ccccc12)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000012875469 221240094 /nfs/dbraw/zinc/24/00/94/221240094.db2.gz AIAHOXYUJSASDA-DEOSSOPVSA-N 0 0 380.491 5.275 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CCCSc1ccccc1 ZINC000012880863 221240967 /nfs/dbraw/zinc/24/09/67/221240967.db2.gz SJODNIBNJHZBRR-UHFFFAOYSA-N 0 0 379.529 5.309 50 0 GKAARN CC(C)CC[C@H](C)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000012943602 221249372 /nfs/dbraw/zinc/24/93/72/221249372.db2.gz TXQGZLAFRFRLAA-IBGZPJMESA-N 0 0 375.516 5.153 50 0 GKAARN O=c1cc(C(F)(F)F)nc(SC/C=C/c2ccccc2)n1-c1ccccc1 ZINC000012959420 221250151 /nfs/dbraw/zinc/25/01/51/221250151.db2.gz NNSAEDAEUITOOA-JXMROGBWSA-N 0 0 388.414 5.057 50 0 GKAARN Cc1cccc(NC(=O)[C@@H](C)SCCCC(=O)Nc2c(C)cccc2C)c1 ZINC000012973382 221250972 /nfs/dbraw/zinc/25/09/72/221250972.db2.gz RYRXEBDVCJEPRG-GOSISDBHSA-N 0 0 384.545 5.091 50 0 GKAARN O=C(CCSCc1csc(-c2cccs2)n1)Nc1ccccc1F ZINC000012972622 221251150 /nfs/dbraw/zinc/25/11/50/221251150.db2.gz GEPKRYLDPBUIPI-UHFFFAOYSA-N 0 0 378.519 5.273 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccccc2Cl)s1 ZINC000012972888 221251507 /nfs/dbraw/zinc/25/15/07/221251507.db2.gz SPCKDNDCVLIJSX-ZROIWOOFSA-N 0 0 394.258 5.320 50 0 GKAARN CC(=O)N(c1nc(COc2ccc(F)cc2F)cs1)c1cccc(Cl)c1 ZINC000012973225 221251632 /nfs/dbraw/zinc/25/16/32/221251632.db2.gz VQYFPXYPRBWYHM-UHFFFAOYSA-N 0 0 394.830 5.338 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000012980084 221252093 /nfs/dbraw/zinc/25/20/93/221252093.db2.gz ZUPUSNRXLKTKGQ-UHFFFAOYSA-N 0 0 378.516 5.308 50 0 GKAARN Cc1nc(COc2ccccc2C(=O)Nc2nc3ccc(C)cc3s2)cs1 ZINC000012979250 221252219 /nfs/dbraw/zinc/25/22/19/221252219.db2.gz FJGPTLVHVFQCTO-UHFFFAOYSA-N 0 0 395.509 5.201 50 0 GKAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 ZINC000013001460 221255009 /nfs/dbraw/zinc/25/50/09/221255009.db2.gz KQLQJPMJHXVENH-RMKNXTFCSA-N 0 0 398.509 5.009 50 0 GKAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 ZINC000012999415 221255974 /nfs/dbraw/zinc/25/59/74/221255974.db2.gz NMODVWVHWBPRGA-UHFFFAOYSA-N 0 0 393.295 5.210 50 0 GKAARN CCn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325503 221265162 /nfs/dbraw/zinc/26/51/62/221265162.db2.gz DRKIELKHJMLEBY-UHFFFAOYSA-N 0 0 382.291 5.703 50 0 GKAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325499 221265356 /nfs/dbraw/zinc/26/53/56/221265356.db2.gz KAVPHJXBIDZDOT-UHFFFAOYSA-N 0 0 398.746 6.218 50 0 GKAARN FC(F)Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013302542 221265506 /nfs/dbraw/zinc/26/55/06/221265506.db2.gz MHFQASXUJNBHCY-IRLDBZIGSA-N 0 0 392.405 5.530 50 0 GKAARN Fc1cccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)c1 ZINC000013364370 221267123 /nfs/dbraw/zinc/26/71/23/221267123.db2.gz GNFLIBMFQLYFLU-LJQANCHMSA-N 0 0 397.812 5.870 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2ccccc2Cl)n1 ZINC000013330955 221265619 /nfs/dbraw/zinc/26/56/19/221265619.db2.gz JFCCOUQGWNBDHB-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1cccc(Cl)c1 ZINC000013348052 221266061 /nfs/dbraw/zinc/26/60/61/221266061.db2.gz SMMRGAMZHYBNAC-UHFFFAOYSA-N 0 0 390.874 5.646 50 0 GKAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2ccccc2C)cc1 ZINC000013362064 221266592 /nfs/dbraw/zinc/26/65/92/221266592.db2.gz FVEPHLJPMUACIV-QFIPXVFZSA-N 0 0 393.490 5.630 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(Cl)c1 ZINC000013362255 221266657 /nfs/dbraw/zinc/26/66/57/221266657.db2.gz IVGJQTPXRQPPLP-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000013368939 221266853 /nfs/dbraw/zinc/26/68/53/221266853.db2.gz PPWXPVNZUAAXSZ-UHFFFAOYSA-N 0 0 389.886 5.612 50 0 GKAARN COc1cccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000013049189 221258776 /nfs/dbraw/zinc/25/87/76/221258776.db2.gz PHCGQGIVUZIEOM-OAQYLSRUSA-N 0 0 385.467 5.130 50 0 GKAARN Cc1nn(Cc2cccc3ccccc32)c(Cl)c1/C=C1/C(=O)Nc2ccccc21 ZINC000013056591 221258985 /nfs/dbraw/zinc/25/89/85/221258985.db2.gz VGBNCZDKRBZOFM-BKUYFWCQSA-N 0 0 399.881 5.539 50 0 GKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(F)cc1 ZINC000013039579 221259493 /nfs/dbraw/zinc/25/94/93/221259493.db2.gz JMKXSNGMOMNMRL-QGZVFWFLSA-N 0 0 387.458 5.023 50 0 GKAARN Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013368918 221266985 /nfs/dbraw/zinc/26/69/85/221266985.db2.gz AJWSTZCDULNKLR-UHFFFAOYSA-N 0 0 389.886 5.612 50 0 GKAARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl ZINC000013062773 221260449 /nfs/dbraw/zinc/26/04/49/221260449.db2.gz NFJKLHUEUSLHKZ-QGZVFWFLSA-N 0 0 385.920 5.034 50 0 GKAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1cccc(Cl)c1 ZINC000013063290 221260480 /nfs/dbraw/zinc/26/04/80/221260480.db2.gz YDZCBITZSZVCNC-QGZVFWFLSA-N 0 0 378.903 5.466 50 0 GKAARN CCc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013362028 221267015 /nfs/dbraw/zinc/26/70/15/221267015.db2.gz WUBBTCQZHBWTOA-QFIPXVFZSA-N 0 0 393.490 5.576 50 0 GKAARN Cc1ccc(C2=C[C@@](C)(c3ccc(C)cc3)Nc3nc(C(F)(F)F)nn32)cc1 ZINC000013121947 221261920 /nfs/dbraw/zinc/26/19/20/221261920.db2.gz ZRJKNTBHBCEVCK-FQEVSTJZSA-N 0 0 384.405 5.144 50 0 GKAARN Clc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 ZINC000013281847 221263845 /nfs/dbraw/zinc/26/38/45/221263845.db2.gz MYAHAAGQXMBRBR-UHFFFAOYSA-N 0 0 391.261 5.943 50 0 GKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364359 221267094 /nfs/dbraw/zinc/26/70/94/221267094.db2.gz MEGZJPBNHMLHSZ-FQEVSTJZSA-N 0 0 375.859 5.900 50 0 GKAARN CCCc1ccc([C@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013320530 221264647 /nfs/dbraw/zinc/26/46/47/221264647.db2.gz XPLXMAYDLWJOCU-LBPRGKRZSA-N 0 0 384.829 6.194 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 ZINC000013617227 221276703 /nfs/dbraw/zinc/27/67/03/221276703.db2.gz YIVUNVJWIKVZCP-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H](C)c3ccc(C)cc3C)c12 ZINC000013641890 221278335 /nfs/dbraw/zinc/27/83/35/221278335.db2.gz HCBFNYUEYSAVEZ-CQSZACIVSA-N 0 0 391.496 5.368 50 0 GKAARN CC(C)CNC(=O)N1[C@@H](c2cccs2)[C@H](C)C(=O)[C@H](C)[C@H]1c1cccs1 ZINC000013370222 221267807 /nfs/dbraw/zinc/26/78/07/221267807.db2.gz BAFUROKWXMWAAP-PURYLZLUSA-N 0 0 390.574 5.115 50 0 GKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccs1 ZINC000013370051 221267927 /nfs/dbraw/zinc/26/79/27/221267927.db2.gz CKWUFIRWPMEIRZ-SJORKVTESA-N 0 0 398.576 5.171 50 0 biogenic GKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013381993 221267936 /nfs/dbraw/zinc/26/79/36/221267936.db2.gz FDBKFGMCMXFUDF-OFNKIYASSA-N 0 0 390.870 5.591 50 0 GKAARN CCC(=O)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370092 221268080 /nfs/dbraw/zinc/26/80/80/221268080.db2.gz VFNIECWSGRBSOI-MOPGFXCFSA-N 0 0 384.568 5.301 50 0 biogenic GKAARN Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000013509251 221270471 /nfs/dbraw/zinc/27/04/71/221270471.db2.gz BOPPHKMZOYPASP-UHFFFAOYSA-N 0 0 388.268 5.635 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=S)Nc2ccc(C)cc2Cl)cc1OC ZINC000013523957 221271682 /nfs/dbraw/zinc/27/16/82/221271682.db2.gz VGLFDXPTURTGKM-KRWDZBQOSA-N 0 0 390.936 5.200 50 0 GKAARN COc1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 ZINC000013552710 221272991 /nfs/dbraw/zinc/27/29/91/221272991.db2.gz HFOUCGTZIPTRKY-UHFFFAOYSA-N 0 0 395.271 5.165 50 0 GKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013553110 221273516 /nfs/dbraw/zinc/27/35/16/221273516.db2.gz MSQUQKDVKWLAQF-ZEQKJWHPSA-N 0 0 398.506 5.669 50 0 GKAARN CC[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000013765502 221287843 /nfs/dbraw/zinc/28/78/43/221287843.db2.gz GLNVZQXUYKDTJH-WNOPAQSVSA-N 0 0 384.523 6.159 50 0 GKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)c(C)c1 ZINC000013660174 221279669 /nfs/dbraw/zinc/27/96/69/221279669.db2.gz DHFRLUHITKKUGI-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2C)cc1 ZINC000013689184 221281134 /nfs/dbraw/zinc/28/11/34/221281134.db2.gz SZTOGZKBVGGPCK-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Clc1ccc(-c2nn3c(nnc3-c3ccc4ccccc4n3)s2)c(Cl)c1 ZINC000013690973 221282167 /nfs/dbraw/zinc/28/21/67/221282167.db2.gz SGVVSHAFQBREJR-UHFFFAOYSA-N 0 0 398.278 5.375 50 0 GKAARN O=C([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)c1 ZINC000013691067 221282262 /nfs/dbraw/zinc/28/22/62/221282262.db2.gz DQLWAFCOVZJUPO-UHFFFAOYSA-N 0 0 390.266 5.284 50 0 GKAARN Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)c1 ZINC000013713826 221283565 /nfs/dbraw/zinc/28/35/65/221283565.db2.gz WCJGSNXZDSIHKC-UHFFFAOYSA-N 0 0 388.511 5.258 50 0 GKAARN CCOc1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCC3)cc1 ZINC000013739162 221286394 /nfs/dbraw/zinc/28/63/94/221286394.db2.gz SKLIWEHYDMYRPX-UHFFFAOYSA-N 0 0 393.556 5.630 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccccc3Cl)n2)cc1 ZINC000013960708 221294254 /nfs/dbraw/zinc/29/42/54/221294254.db2.gz OZGFGCVVZOUDPF-UHFFFAOYSA-N 0 0 390.870 5.877 50 0 GKAARN O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1C12CC3CC(CC(C3)C1)C2 ZINC000013945759 221294466 /nfs/dbraw/zinc/29/44/66/221294466.db2.gz GVPRIJRYNSPNKI-SSGAXFJESA-N 0 0 382.507 5.682 50 0 GKAARN COc1ccc(-c2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)c(OC)c1 ZINC000014092890 221299009 /nfs/dbraw/zinc/29/90/09/221299009.db2.gz GYYDGOUQNSVIRC-QGZVFWFLSA-N 0 0 398.528 5.092 50 0 GKAARN CC(=O)c1cccc(NC(=O)[C@H](N[C@@H](C)c2ccc(F)cc2)c2ccccc2)c1 ZINC000014142221 221301234 /nfs/dbraw/zinc/30/12/34/221301234.db2.gz AYSBFRKBMPFVKP-QMHKHESXSA-N 0 0 390.458 5.059 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000014169489 221301622 /nfs/dbraw/zinc/30/16/22/221301622.db2.gz XLLDEZCAHBHYIE-RUZDIDTESA-N 0 0 396.490 5.407 50 0 GKAARN CC(=O)c1cc(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)oc1C ZINC000014183358 221302183 /nfs/dbraw/zinc/30/21/83/221302183.db2.gz ZHFUPLLFIDZPCO-OAQYLSRUSA-N 0 0 399.537 5.021 50 0 GKAARN Cc1ccccc1-c1noc(CNc2cc(Cl)ccc2Oc2ccccc2)n1 ZINC000014182938 221302491 /nfs/dbraw/zinc/30/24/91/221302491.db2.gz QHVLYBPTFMSOLM-UHFFFAOYSA-N 0 0 391.858 6.103 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)ccc3F)c12 ZINC000014209608 221304937 /nfs/dbraw/zinc/30/49/37/221304937.db2.gz UIKFNUZTWNIOII-UHFFFAOYSA-N 0 0 379.366 5.037 50 0 GKAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccccc1Cl ZINC000014248900 221307273 /nfs/dbraw/zinc/30/72/73/221307273.db2.gz SOAKMOVZEHUMAN-AWEZNQCLSA-N 0 0 396.903 5.488 50 0 GKAARN CCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1OC ZINC000014426324 221309345 /nfs/dbraw/zinc/30/93/45/221309345.db2.gz DFDIGFKMAGVZKT-UHFFFAOYSA-N 0 0 392.293 5.034 50 0 GKAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(F)c2F)n1 ZINC000014981306 221323571 /nfs/dbraw/zinc/32/35/71/221323571.db2.gz HWWAJPFBUCRRLP-DEOSSOPVSA-N 0 0 389.449 5.297 50 0 GKAARN Cc1occc1C(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000014980910 221323399 /nfs/dbraw/zinc/32/33/99/221323399.db2.gz KWHYIYXFYUNYFU-IBGZPJMESA-N 0 0 389.451 5.115 50 0 GKAARN CCCOc1c(Cl)cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000014669069 221314048 /nfs/dbraw/zinc/31/40/48/221314048.db2.gz GVYVAEULQYNWLO-UHFFFAOYSA-N 0 0 382.287 5.660 50 0 GKAARN O=C(NCc1cnn(-c2ccccc2)c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000014729063 221315036 /nfs/dbraw/zinc/31/50/36/221315036.db2.gz UWIDYHBYOXRDEO-HSZRJFAPSA-N 0 0 399.519 5.022 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000015082113 221332994 /nfs/dbraw/zinc/33/29/94/221332994.db2.gz YJWREXHBUAJXQJ-UHFFFAOYSA-N 0 0 391.895 5.343 50 0 GKAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)c1 ZINC000015275937 221333840 /nfs/dbraw/zinc/33/38/40/221333840.db2.gz UVWIMIVTQNFKDS-XXFRDUSWSA-N 0 0 385.463 5.240 50 0 GKAARN O=C(Nc1cc(F)ccc1F)c1oc2ccccc2c1COc1ccccc1 ZINC000015004783 221326262 /nfs/dbraw/zinc/32/62/62/221326262.db2.gz LKOSZOGHMQTJJS-UHFFFAOYSA-N 0 0 379.362 5.542 50 0 GKAARN CC(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 ZINC000015596442 221337392 /nfs/dbraw/zinc/33/73/92/221337392.db2.gz DKVMIIQIZXWTDE-UHFFFAOYSA-N 0 0 375.493 5.351 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3ccccc3)n2)cc1 ZINC000015671164 221338357 /nfs/dbraw/zinc/33/83/57/221338357.db2.gz BVDCLOSCHZHDAJ-UHFFFAOYSA-N 0 0 395.462 5.380 50 0 GKAARN COc1ccc(-c2cc3nc(C)cc(Nc4ccc(Cl)cc4)n3n2)cc1OC ZINC000015670886 221338817 /nfs/dbraw/zinc/33/88/17/221338817.db2.gz KMBKRZAGZRXHIZ-UHFFFAOYSA-N 0 0 394.862 5.119 50 0 GKAARN CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000015677699 221340052 /nfs/dbraw/zinc/34/00/52/221340052.db2.gz OSHJBYPXEGDMMJ-UHFFFAOYSA-N 0 0 387.527 5.247 50 0 GKAARN Cc1ccc(Nc2nc3c(cnn3C)c(Nc3ccc(Cl)cc3)n2)c(C)c1 ZINC000015682340 221340208 /nfs/dbraw/zinc/34/02/08/221340208.db2.gz FAWNHPDKKWVOPV-UHFFFAOYSA-N 0 0 378.867 5.121 50 0 GKAARN CC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Cl)c3C)cc2C)s1 ZINC000015729962 221342225 /nfs/dbraw/zinc/34/22/25/221342225.db2.gz JAOCWVFPDWCSSZ-UHFFFAOYSA-N 0 0 388.880 5.169 50 0 GKAARN Cc1c(C[NH2+][C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777029 221344919 /nfs/dbraw/zinc/34/49/19/221344919.db2.gz IHQCWTLIXSVUOV-OAHLLOKOSA-N 0 0 396.918 5.356 50 0 GKAARN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C)c2)cc1 ZINC000015822674 221346157 /nfs/dbraw/zinc/34/61/57/221346157.db2.gz OKAOWTLPTLBKCT-RUZDIDTESA-N 0 0 380.491 5.573 50 0 GKAARN CCCCOc1ccccc1C(=O)NCc1csc(-c2ccc(C)cc2)n1 ZINC000015832599 221346399 /nfs/dbraw/zinc/34/63/99/221346399.db2.gz QHPXIUQVJXIXFY-UHFFFAOYSA-N 0 0 380.513 5.227 50 0 GKAARN CCCCOc1ccc(NC(=O)COc2ccc(Cl)cc2)c2cccnc12 ZINC000015841071 221347539 /nfs/dbraw/zinc/34/75/39/221347539.db2.gz MPGACEUHKWHLHF-UHFFFAOYSA-N 0 0 384.863 5.085 50 0 GKAARN CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000015840803 221347774 /nfs/dbraw/zinc/34/77/74/221347774.db2.gz UKEHIEFTKVRDHZ-INIZCTEOSA-N 0 0 392.499 5.337 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)c2cccnc12 ZINC000015841155 221347891 /nfs/dbraw/zinc/34/78/91/221347891.db2.gz RFRAOUSMMBPBLT-QGZVFWFLSA-N 0 0 392.499 5.382 50 0 GKAARN CCCCCCOc1ccc(C(=O)Nc2ccc(OC)c3ncccc23)cc1 ZINC000015840628 221348022 /nfs/dbraw/zinc/34/80/22/221348022.db2.gz RZAHXDHWZWFRAZ-UHFFFAOYSA-N 0 0 378.472 5.455 50 0 GKAARN CCN(CC)c1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c(C)c1 ZINC000015840229 221348073 /nfs/dbraw/zinc/34/80/73/221348073.db2.gz BOSQVBXZAHBBSU-UHFFFAOYSA-N 0 0 399.585 5.516 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c2cccnc12 ZINC000015841149 221348118 /nfs/dbraw/zinc/34/81/18/221348118.db2.gz ICSCTUUNFMMXEA-FQEVSTJZSA-N 0 0 396.462 5.349 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c2cccnc12 ZINC000015841147 221348288 /nfs/dbraw/zinc/34/82/88/221348288.db2.gz ICSCTUUNFMMXEA-HXUWFJFHSA-N 0 0 396.462 5.349 50 0 GKAARN CC(C)c1ccc(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1 ZINC000015861472 221348465 /nfs/dbraw/zinc/34/84/65/221348465.db2.gz JRUCBSJBRMCPIU-UHFFFAOYSA-N 0 0 378.878 6.668 50 0 GKAARN COc1cc(-c2nc3ccccc3n2Cc2cccc(C)c2)cc(OC)c1OC ZINC000015861487 221348720 /nfs/dbraw/zinc/34/87/20/221348720.db2.gz LUYUIGDRWQIVEH-UHFFFAOYSA-N 0 0 388.467 5.086 50 0 GKAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000015866805 221349904 /nfs/dbraw/zinc/34/99/04/221349904.db2.gz YJFMZTSDEXLQHH-FQEVSTJZSA-N 0 0 389.586 5.241 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Nc1ccc(C)cc1C ZINC000015864434 221350018 /nfs/dbraw/zinc/35/00/18/221350018.db2.gz 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ZINC000016362383 221360680 /nfs/dbraw/zinc/36/06/80/221360680.db2.gz UHACPUBDCSJUFR-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016348787 221360821 /nfs/dbraw/zinc/36/08/21/221360821.db2.gz YCKGHQMJJBCOMH-DHZHZOJOSA-N 0 0 395.871 5.565 50 0 GKAARN CCOc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000016355672 221360959 /nfs/dbraw/zinc/36/09/59/221360959.db2.gz CIMIYIQXQJIIHM-LJQANCHMSA-N 0 0 383.879 5.126 50 0 GKAARN O=C1Nc2ccccc2/C1=C/c1csc(-c2cccc(Br)c2)n1 ZINC000016407932 221362198 /nfs/dbraw/zinc/36/21/98/221362198.db2.gz HZWOMVOMJZYLJE-DHDCSXOGSA-N 0 0 383.270 5.065 50 0 GKAARN Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccccc1Cl ZINC000016449721 221363723 /nfs/dbraw/zinc/36/37/23/221363723.db2.gz CSDHXIMFEADMBN-UHFFFAOYSA-N 0 0 390.285 6.001 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1 ZINC000016525733 221365455 /nfs/dbraw/zinc/36/54/55/221365455.db2.gz KDFNOWILRVPVQG-UHFFFAOYSA-N 0 0 396.402 5.684 50 0 GKAARN Cc1ccc(C(=O)/N=c2\scc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000016662958 221367955 /nfs/dbraw/zinc/36/79/55/221367955.db2.gz YXCANNNTQXZBRE-QPLCGJKRSA-N 0 0 398.531 5.872 50 0 GKAARN CC(C)CCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000017113133 221380076 /nfs/dbraw/zinc/38/00/76/221380076.db2.gz COKBQCLENSNIQH-UHFFFAOYSA-N 0 0 390.466 5.156 50 0 GKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccccc1Cl ZINC000017178195 221381140 /nfs/dbraw/zinc/38/11/40/221381140.db2.gz ANYCODJSSAPSLK-UHFFFAOYSA-N 0 0 390.870 5.185 50 0 GKAARN COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000017209153 221381267 /nfs/dbraw/zinc/38/12/67/221381267.db2.gz CHXVOZWZPFCBBF-VGOFMYFVSA-N 0 0 393.512 5.267 50 0 GKAARN COc1cccc(N2C(=O)CS[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000017198454 221381290 /nfs/dbraw/zinc/38/12/90/221381290.db2.gz FDYAEOFCMXVWTA-HSZRJFAPSA-N 0 0 391.492 5.053 50 0 GKAARN CCCOc1ccc(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000016741340 221369660 /nfs/dbraw/zinc/36/96/60/221369660.db2.gz ISQYBUYCQMAISA-UHFFFAOYSA-N 0 0 375.468 5.331 50 0 GKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCc3ccco3)cc21 ZINC000016846982 221371831 /nfs/dbraw/zinc/37/18/31/221371831.db2.gz DJTWUEOBHMCLPW-UHFFFAOYSA-N 0 0 386.451 5.132 50 0 GKAARN O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(F)cc1F ZINC000016841002 221372584 /nfs/dbraw/zinc/37/25/84/221372584.db2.gz CNGDTIRRMABYGI-UHFFFAOYSA-N 0 0 380.803 5.004 50 0 GKAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)Nc1ccccc1F ZINC000016946368 221374032 /nfs/dbraw/zinc/37/40/32/221374032.db2.gz YCDDHSXDFRXXQK-UHFFFAOYSA-N 0 0 394.884 5.267 50 0 GKAARN Clc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)cc1 ZINC000016995238 221375109 /nfs/dbraw/zinc/37/51/09/221375109.db2.gz JMWFIVWIIQEEGX-OAQYLSRUSA-N 0 0 385.858 5.646 50 0 GKAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1cc(C)cc(C)c1 ZINC000017010490 221375119 /nfs/dbraw/zinc/37/51/19/221375119.db2.gz ZLAZUNWVQVNTQO-UHFFFAOYSA-N 0 0 384.932 5.361 50 0 GKAARN Cc1c(-c2ccc(C)cc2)nn(Cn2cc(Cl)cn2)c1-c1ccc(C)cc1 ZINC000017077096 221376696 /nfs/dbraw/zinc/37/66/96/221376696.db2.gz VQRDQYJUHKVSCP-UHFFFAOYSA-N 0 0 376.891 5.498 50 0 GKAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OCC)c(OCC)cc21 ZINC000017078321 221377402 /nfs/dbraw/zinc/37/74/02/221377402.db2.gz BXSLKGARFGYQQU-KRWDZBQOSA-N 0 0 383.488 5.137 50 0 GKAARN Cc1ccc(C(C)C)c(OCC2N=NC(=S)N2Cc2ccc(Cl)cc2)c1 ZINC000017079204 221377703 /nfs/dbraw/zinc/37/77/03/221377703.db2.gz COQRZWMKTFRNHM-UHFFFAOYSA-N 0 0 387.936 5.279 50 0 GKAARN Cc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl ZINC000017081383 221378263 /nfs/dbraw/zinc/37/82/63/221378263.db2.gz NSMVXWYFJOBYRO-UHFFFAOYSA-N 0 0 397.828 5.021 50 0 GKAARN CC[C@@H](C)c1ccc([C@H](CC)NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000017080786 221378446 /nfs/dbraw/zinc/37/84/46/221378446.db2.gz QJGBINMOIXLARL-DYVFJYSZSA-N 0 0 395.399 6.945 50 0 GKAARN O=C(Nc1sccc1C(=O)Nc1ccccc1F)c1csc2ccccc12 ZINC000017081016 221378821 /nfs/dbraw/zinc/37/88/21/221378821.db2.gz CVWMMBYNIQOMOL-UHFFFAOYSA-N 0 0 396.468 5.607 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000017121137 221379356 /nfs/dbraw/zinc/37/93/56/221379356.db2.gz IEKWFLUDRNCFHX-UHFFFAOYSA-N 0 0 383.423 5.210 50 0 GKAARN CCOc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000018045976 221386133 /nfs/dbraw/zinc/38/61/33/221386133.db2.gz UQFUWOZHQXXVSG-LNVKXUELSA-N 0 0 396.581 6.385 50 0 GKAARN Cc1cc(C)c(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c(Cl)c1 ZINC000018118037 221387180 /nfs/dbraw/zinc/38/71/80/221387180.db2.gz FBZAKYWXNSIOOU-VINFYQEGSA-N 0 0 393.958 6.434 50 0 GKAARN CC(=O)Nc1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1 ZINC000018122424 221387304 /nfs/dbraw/zinc/38/73/04/221387304.db2.gz IIZSZOUCNLCKKO-QOCHGBHMSA-N 0 0 381.526 5.328 50 0 GKAARN COc1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1OC ZINC000018194342 221388400 /nfs/dbraw/zinc/38/84/00/221388400.db2.gz XMFSSJBGDXYINB-UHFFFAOYSA-N 0 0 395.462 5.909 50 0 GKAARN Cc1ccccc1NC=C1C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 ZINC000018206908 221389658 /nfs/dbraw/zinc/38/96/58/221389658.db2.gz CKRSHEKNCZBWLB-XSFVSMFZSA-N 0 0 388.854 5.288 50 0 GKAARN Nc1c2ccc(-c3ccccc3F)nc2sc1C(=O)c1ccc(Cl)cc1 ZINC000019853488 221459148 /nfs/dbraw/zinc/45/91/48/221459148.db2.gz HLTBGSKYIOKHDX-UHFFFAOYSA-N 0 0 382.847 5.569 50 0 GKAARN Cc1cc(OCCNc2ccccc2OCCOc2ccccc2)ccc1Cl ZINC000019738437 221447935 /nfs/dbraw/zinc/44/79/35/221447935.db2.gz HLAATVBZVFSLDD-UHFFFAOYSA-N 0 0 397.902 5.597 50 0 GKAARN Cc1nc(-c2cccs2)c(CCC(=O)NCCc2ccc(Cl)cc2)s1 ZINC000019933173 221464434 /nfs/dbraw/zinc/46/44/34/221464434.db2.gz CJQLZUOQMPSGDF-UHFFFAOYSA-N 0 0 390.961 5.125 50 0 GKAARN CSc1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2C)cc1 ZINC000020182031 221476207 /nfs/dbraw/zinc/47/62/07/221476207.db2.gz NYJRMUPWJRWUMQ-UHFFFAOYSA-N 0 0 380.904 5.824 50 0 GKAARN Fc1ccccc1N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020509727 221495918 /nfs/dbraw/zinc/49/59/18/221495918.db2.gz UUZQDLRIKUOBBR-IBGZPJMESA-N 0 0 379.822 5.731 50 0 GKAARN CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNC(=O)c3cccs3)[C@H]1CC2 ZINC000020436044 221487085 /nfs/dbraw/zinc/48/70/85/221487085.db2.gz YMWCSEMEDTZXQU-GPXOXTDOSA-N 0 0 395.612 6.312 50 0 GKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12 ZINC000020615082 221504866 /nfs/dbraw/zinc/50/48/66/221504866.db2.gz UWCWDYPDPMDVRH-UHFFFAOYSA-N 0 0 399.391 6.427 50 0 GKAARN Cc1coc2cc3oc(=O)c(-c4csc(-c5ccc(F)cc5)n4)cc3cc12 ZINC000020729433 221510210 /nfs/dbraw/zinc/51/02/10/221510210.db2.gz OVYAMHDUVVCEGC-UHFFFAOYSA-N 0 0 377.396 5.777 50 0 GKAARN Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017387 221524762 /nfs/dbraw/zinc/52/47/62/221524762.db2.gz NWKNMEJSZZVTHJ-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2COc2ccc(C)cc2-3)cc1 ZINC000020847393 221514128 /nfs/dbraw/zinc/51/41/28/221514128.db2.gz ILGSWXCHEAZFBF-UHFFFAOYSA-N 0 0 397.449 6.431 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1 ZINC000020847427 221514356 /nfs/dbraw/zinc/51/43/56/221514356.db2.gz BSIAMZXSKSVRDH-UHFFFAOYSA-N 0 0 381.450 6.731 50 0 GKAARN COc1cccc(NCc2ccccc2-c2nnc(-c3ccccc3Cl)o2)c1 ZINC000020853163 221514581 /nfs/dbraw/zinc/51/45/81/221514581.db2.gz SVBRAKLKVQEWEE-UHFFFAOYSA-N 0 0 391.858 5.678 50 0 GKAARN COc1cccc(-c2nc(-c3ccccc3OC)[nH]c2-c2cccc(OC)c2)c1 ZINC000006720147 533370957 /nfs/dbraw/zinc/37/09/57/533370957.db2.gz VHXJZQOCOMQDHK-UHFFFAOYSA-N 0 0 386.451 5.437 50 0 biogenic GKAARN Cc1cc(N2CCN([C@H](C)c3nc4ccccc4s3)CC2)nc2ccccc12 ZINC000039982739 132391950 /nfs/dbraw/zinc/39/19/50/132391950.db2.gz XAXSIHOZPRGCRA-QGZVFWFLSA-N 0 0 388.540 5.036 50 0 GKAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCC[C@H]1c1ccncc1 ZINC000043441253 132416183 /nfs/dbraw/zinc/41/61/83/132416183.db2.gz MLPDATKWAOHFDG-IBGZPJMESA-N 0 0 384.911 5.094 50 0 GKAARN CC[C@H](C)c1ccccc1Oc1nc2ccccc2nc1N1CCC(C)CC1 ZINC000045900754 132424494 /nfs/dbraw/zinc/42/44/94/132424494.db2.gz YYEOQNCBMFWEDG-SFHVURJKSA-N 0 0 375.516 6.172 50 0 GKAARN 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/nfs/dbraw/zinc/17/00/83/136170083.db2.gz SBJOVQLQTCLLTN-IBGZPJMESA-N 0 0 386.282 5.028 50 0 GKAARN O=C1c2cccc3cc(Br)cc(c32)C(=O)N1c1ccccc1Cl ZINC000095470766 136179399 /nfs/dbraw/zinc/17/93/99/136179399.db2.gz LATHCWXCDDZOMU-UHFFFAOYSA-N 0 0 386.632 5.056 50 0 GKAARN Clc1cccc2ccc(N3CCC[C@H](c4nccn4CC4CCC4)C3)nc12 ZINC000095500149 136179978 /nfs/dbraw/zinc/17/99/78/136179978.db2.gz AXXVBUOLHJBYEI-SFHVURJKSA-N 0 0 380.923 5.269 50 0 GKAARN Cc1ccc(CN2CCSc3ccc(C(=O)N4[C@H](C)CCC[C@@H]4C)cc32)cc1 ZINC000101505830 136189709 /nfs/dbraw/zinc/18/97/09/136189709.db2.gz LXGQTWVNCWDTJN-KDURUIRLSA-N 0 0 394.584 5.510 50 0 GKAARN Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Br)c1 ZINC000000669203 136192883 /nfs/dbraw/zinc/19/28/83/136192883.db2.gz RHXNJZZOYQCMMG-HXUWFJFHSA-N 0 0 393.284 5.529 50 0 GKAARN Cc1cccc(C(=O)Nc2cc3c4c(c2)[C@@H]2CCC[C@@H]2CN4C[C@H]2CCC[C@@H]32)c1 ZINC000001435867 136193261 /nfs/dbraw/zinc/19/32/61/136193261.db2.gz KSSSRFZOZNQEAX-UGESXGAOSA-N 0 0 386.539 5.848 50 0 GKAARN Cc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1 ZINC000002112643 136193295 /nfs/dbraw/zinc/19/32/95/136193295.db2.gz IKSCCHZQYSUOAX-UHFFFAOYSA-N 0 0 383.447 5.433 50 0 biogenic GKAARN CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 ZINC000002059634 136193334 /nfs/dbraw/zinc/19/33/34/136193334.db2.gz NDOBFHPAKSDNIC-MZNJEOGPSA-N 0 0 386.495 5.980 50 0 GKAARN Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(C(F)(F)F)c1)C3 ZINC000002160092 136193359 /nfs/dbraw/zinc/19/33/59/136193359.db2.gz RCRFUWSRGBEISC-UHFFFAOYSA-N 0 0 389.373 5.094 50 0 biogenic GKAARN CCCCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000004843919 136194082 /nfs/dbraw/zinc/19/40/82/136194082.db2.gz SGQZTNHOANUETL-RXVVDRJESA-N 0 0 378.516 5.172 50 0 GKAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc2ccccc2c1 ZINC000005099361 136194418 /nfs/dbraw/zinc/19/44/18/136194418.db2.gz ONXYPKITLILJHO-UHFFFAOYSA-N 0 0 396.446 5.278 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000005688902 136195002 /nfs/dbraw/zinc/19/50/02/136195002.db2.gz TTYWIPUHOQSDFW-UHFFFAOYSA-N 0 0 394.927 6.280 50 0 GKAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccccc1C(F)(F)F ZINC000005688479 136195005 /nfs/dbraw/zinc/19/50/05/136195005.db2.gz SUYBSLBOIDWQEQ-UHFFFAOYSA-N 0 0 382.813 5.601 50 0 GKAARN CC(C)c1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000005701610 136195019 /nfs/dbraw/zinc/19/50/19/136195019.db2.gz RDPQAMOWUWYXFY-UHFFFAOYSA-N 0 0 388.536 6.442 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000006815020 136195173 /nfs/dbraw/zinc/19/51/73/136195173.db2.gz PSPXSEISRHGPQJ-HZHRSRAPSA-N 0 0 396.490 5.560 50 0 GKAARN Cc1cc(C)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000006962970 136195263 /nfs/dbraw/zinc/19/52/63/136195263.db2.gz WRFPNYIYGBXXON-UHFFFAOYSA-N 0 0 376.422 5.565 50 0 GKAARN CN1c2ccccc2-c2ccccc2[C@@]12C=Cc1cc(Br)ccc1O2 ZINC000002907754 136196485 /nfs/dbraw/zinc/19/64/85/136196485.db2.gz WFMCNCFIESBCCL-QFIPXVFZSA-N 0 0 390.280 5.825 50 0 GKAARN Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000103005110 136196561 /nfs/dbraw/zinc/19/65/61/136196561.db2.gz CRGCNDVUZREXII-PXLXIMEGSA-N 0 0 396.490 5.560 50 0 GKAARN CN1c2ccccc2-c2ccccc2[C@]12C=Cc1cc(Br)ccc1O2 ZINC000002907752 136196587 /nfs/dbraw/zinc/19/65/87/136196587.db2.gz WFMCNCFIESBCCL-JOCHJYFZSA-N 0 0 390.280 5.825 50 0 GKAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(c1ccccc1)C(=O)N2 ZINC000012892878 136200711 /nfs/dbraw/zinc/20/07/11/136200711.db2.gz CYCXIRWFQZEPNZ-QFIPXVFZSA-N 0 0 380.451 5.322 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(Cl)c1 ZINC000013041600 136200831 /nfs/dbraw/zinc/20/08/31/136200831.db2.gz IWKFIRKWQVHPHM-UHFFFAOYSA-N 0 0 382.813 5.601 50 0 GKAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320484 136201030 /nfs/dbraw/zinc/20/10/30/136201030.db2.gz SNDBTZJPCSNOEN-JTQLQIEISA-N 0 0 386.776 5.871 50 0 GKAARN O=C(NCc1cccc2ccccc21)N1c2ccccc2Sc2ccccc21 ZINC000013574388 136201087 /nfs/dbraw/zinc/20/10/87/136201087.db2.gz 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CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257355343 209079787 /nfs/dbraw/zinc/07/97/87/209079787.db2.gz AHWOEMBXZXGDBQ-ALKAGORXSA-N 0 0 396.659 7.619 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000257347994 209079822 /nfs/dbraw/zinc/07/98/22/209079822.db2.gz AHWOEMBXZXGDBQ-MNZUPQDOSA-N 0 0 396.659 7.619 50 0 GKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000257349042 209080423 /nfs/dbraw/zinc/08/04/23/209080423.db2.gz LBFOECKXTQFXNG-ZNJKYVGOSA-N 0 0 384.648 7.453 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC[C@H](O)[C@]4(C)[C@H]3CC[C@]21C ZINC000257348466 209080497 /nfs/dbraw/zinc/08/04/97/209080497.db2.gz FVBJWENATSMJIB-GMMUCZBRSA-N 0 0 388.680 7.469 50 0 GKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC=CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000257349931 209080835 /nfs/dbraw/zinc/08/08/35/209080835.db2.gz SSNYWUJVBUZUHH-XBSVYHDWSA-N 0 0 382.676 8.440 50 0 GKAARN CC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257347719 209080938 /nfs/dbraw/zinc/08/09/38/209080938.db2.gz RKTOVXAWWQDSMX-WWCHJENQSA-N 0 0 388.636 7.157 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000263615663 209081759 /nfs/dbraw/zinc/08/17/59/209081759.db2.gz DNVPQKQSNYMLRS-SECWYAQTSA-N 0 0 396.659 7.331 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)C1(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000263640051 209082576 /nfs/dbraw/zinc/08/25/76/209082576.db2.gz VACXFAUCBZMDIE-UHFFFAOYSA-N 0 0 375.177 5.078 50 0 GKAARN Cc1ccc(C)c(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)c1 ZINC000021530454 221533699 /nfs/dbraw/zinc/53/36/99/221533699.db2.gz FHRKMDXRNXBKSP-HXUWFJFHSA-N 0 0 390.508 5.091 50 0 GKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2cccc(F)c2)cc1 ZINC000021779623 221540486 /nfs/dbraw/zinc/54/04/86/221540486.db2.gz QFZSAMJGAQZNOH-XMMPIXPASA-N 0 0 399.469 5.795 50 0 GKAARN CCN(C(=O)c1cccc(OCc2cscn2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000021758604 221540552 /nfs/dbraw/zinc/54/05/52/221540552.db2.gz YPFKWHOLZBMVAI-UHFFFAOYSA-N 0 0 396.556 5.153 50 0 GKAARN O=C(NCc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891482 221545712 /nfs/dbraw/zinc/54/57/12/221545712.db2.gz MQTGCYXDRRBLEE-QHCPKHFHSA-N 0 0 399.519 5.354 50 0 GKAARN CCOc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1C(C)C ZINC000021889710 221546211 /nfs/dbraw/zinc/54/62/11/221546211.db2.gz JHSCLLIUSLRCEG-QHCPKHFHSA-N 0 0 389.499 5.621 50 0 GKAARN CC(=O)c1ccc(NC(=O)N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022349597 221557587 /nfs/dbraw/zinc/55/75/87/221557587.db2.gz BXZMVBLOHBAWAW-UHFFFAOYSA-N 0 0 392.543 5.673 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000022356325 221558964 /nfs/dbraw/zinc/55/89/64/221558964.db2.gz QZBDKVMCEVHEJT-KGLIPLIRSA-N 0 0 387.911 5.251 50 0 GKAARN CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1Cl ZINC000022650711 221567012 /nfs/dbraw/zinc/56/70/12/221567012.db2.gz VISWALYTNMYYHL-JOCHJYFZSA-N 0 0 387.907 5.022 50 0 GKAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000023011903 221578723 /nfs/dbraw/zinc/57/87/23/221578723.db2.gz LIKYQYBKJIPIBW-UHFFFAOYSA-N 0 0 389.499 5.486 50 0 GKAARN COc1cccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)c1 ZINC000023324817 221591946 /nfs/dbraw/zinc/59/19/46/221591946.db2.gz QEGZARFHMBEVJY-JOCHJYFZSA-N 0 0 377.871 5.137 50 0 GKAARN CC(C)=CC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000023320416 221592152 /nfs/dbraw/zinc/59/21/52/221592152.db2.gz RSXUTGZUXUYANX-UHFFFAOYSA-N 0 0 386.451 5.092 50 0 GKAARN COc1cccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)c1 ZINC000023316397 221592404 /nfs/dbraw/zinc/59/24/04/221592404.db2.gz QCAUMEXDDMVFOQ-JOCHJYFZSA-N 0 0 376.431 5.014 50 0 GKAARN COc1ccc(-c2ccc3nc(-c4cc(C)cc(C)c4)oc3c2)c(OC)c1OC ZINC000023448900 221597583 /nfs/dbraw/zinc/59/75/83/221597583.db2.gz CCSBSIDCUAHASR-UHFFFAOYSA-N 0 0 389.451 5.804 50 0 GKAARN Cc1cccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)c1 ZINC000023440868 221598670 /nfs/dbraw/zinc/59/86/70/221598670.db2.gz FARKOBWYTBRCJG-UHFFFAOYSA-N 0 0 399.515 6.446 50 0 GKAARN Cc1nnc(Oc2ccc(Br)cc2Br)c2ccccc12 ZINC000024134200 221608287 /nfs/dbraw/zinc/60/82/87/221608287.db2.gz JHOFVUZBEBDGBI-UHFFFAOYSA-N 0 0 394.066 5.256 50 0 GKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ncccc1C ZINC000024364598 221613624 /nfs/dbraw/zinc/61/36/24/221613624.db2.gz SFDGXJBYWMVLOP-UHFFFAOYSA-N 0 0 377.391 5.093 50 0 GKAARN Cc1c2ccccc2sc1-c1csc(CC(=O)NCc2ccccc2)n1 ZINC000024513137 221614407 /nfs/dbraw/zinc/61/44/07/221614407.db2.gz GAZBGKSCQSDJDR-UHFFFAOYSA-N 0 0 378.522 5.192 50 0 GKAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024468386 221615274 /nfs/dbraw/zinc/61/52/74/221615274.db2.gz SQPOILPWGIRROP-UHFFFAOYSA-N 0 0 386.373 5.262 50 0 GKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000024737965 221616578 /nfs/dbraw/zinc/61/65/78/221616578.db2.gz OXSYBKINRPZZPL-UHFFFAOYSA-N 0 0 396.859 5.074 50 0 GKAARN O=C(Cc1noc2ccccc12)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024878123 221620931 /nfs/dbraw/zinc/62/09/31/221620931.db2.gz NGOYZZDSAKDSLO-XMMPIXPASA-N 0 0 382.419 5.022 50 0 GKAARN Cc1cc(-c2nc(C)sc2CC(=O)N[C@H](c2ccccc2)C2CC2)c(C)s1 ZINC000025050243 221623616 /nfs/dbraw/zinc/62/36/16/221623616.db2.gz ZUMBORJPNFGUJI-OAQYLSRUSA-N 0 0 396.581 5.607 50 0 GKAARN Cc1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000025147235 221625717 /nfs/dbraw/zinc/62/57/17/221625717.db2.gz PYTNJPLFALCMRG-CQSZACIVSA-N 0 0 396.560 5.372 50 0 GKAARN O=C(CSc1ncccc1Cl)N1c2ccccc2CCc2ccccc21 ZINC000025586019 221631753 /nfs/dbraw/zinc/63/17/53/221631753.db2.gz PUNCYWYBGQJFRG-UHFFFAOYSA-N 0 0 380.900 5.291 50 0 GKAARN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585717 221657281 /nfs/dbraw/zinc/65/72/81/221657281.db2.gz UNGUQFISJMGSJW-KBPBESRZSA-N 0 0 388.437 5.206 50 0 GKAARN COc1cccc(N(Cc2cccs2)C(=O)c2ccc(OC(C)C)cc2)c1 ZINC000027664555 221658303 /nfs/dbraw/zinc/65/83/03/221658303.db2.gz MJMKHNHRKSBQNH-UHFFFAOYSA-N 0 0 381.497 5.391 50 0 GKAARN CCCCOc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)c2cccnc12 ZINC000032622550 221725419 /nfs/dbraw/zinc/72/54/19/221725419.db2.gz MOGIBIOZLHGVPS-UHFFFAOYSA-N 0 0 388.467 6.029 50 0 GKAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc(F)c(F)c1 ZINC000027815875 221660799 /nfs/dbraw/zinc/66/07/99/221660799.db2.gz FTEGZWSXTYSXBB-MRXNPFEDSA-N 0 0 382.435 5.070 50 0 GKAARN Cc1cc(C)cc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000027793681 221661486 /nfs/dbraw/zinc/66/14/86/221661486.db2.gz IKDNUOMPFPRSNM-HSZRJFAPSA-N 0 0 398.506 5.112 50 0 GKAARN O=C(Cc1noc2ccccc12)Nc1ccccc1-c1nc2ccccc2s1 ZINC000028249837 221673108 /nfs/dbraw/zinc/67/31/08/221673108.db2.gz YGOLLXRUOOPNPD-UHFFFAOYSA-N 0 0 385.448 5.286 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000028292613 221674579 /nfs/dbraw/zinc/67/45/79/221674579.db2.gz GTFKOKZKYDBKOE-UHFFFAOYSA-N 0 0 390.870 5.945 50 0 GKAARN O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NC1CCCCCC1 ZINC000031423607 221709259 /nfs/dbraw/zinc/70/92/59/221709259.db2.gz CAQMZIBMAHLTMG-UHFFFAOYSA-N 0 0 378.925 5.067 50 0 GKAARN C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000032893222 221744273 /nfs/dbraw/zinc/74/42/73/221744273.db2.gz MDCAUPUKGYFRMO-SECBINFHSA-N 0 0 397.426 5.024 50 0 GKAARN CC(C)CCNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1 ZINC000034714046 221802892 /nfs/dbraw/zinc/80/28/92/221802892.db2.gz UZAJSJIIDMIDAU-UHFFFAOYSA-N 0 0 380.513 5.165 50 0 GKAARN O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1ccccc1 ZINC000032942901 221755639 /nfs/dbraw/zinc/75/56/39/221755639.db2.gz WHYOAGQJLRSGAI-UHFFFAOYSA-N 0 0 384.353 5.293 50 0 GKAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000032959723 221757678 /nfs/dbraw/zinc/75/76/78/221757678.db2.gz UDPRCLQTRNDDBI-UHFFFAOYSA-N 0 0 395.528 5.141 50 0 GKAARN C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccccn1 ZINC000032973718 221759042 /nfs/dbraw/zinc/75/90/42/221759042.db2.gz BDDFDRZIOJTABM-OAHLLOKOSA-N 0 0 389.480 5.006 50 0 GKAARN Cc1cccc(-c2ccc(Nc3cccc(C(=O)NC4CCCCC4)c3)nn2)c1 ZINC000032996921 221762529 /nfs/dbraw/zinc/76/25/29/221762529.db2.gz UPYQUDBIFFIVEM-UHFFFAOYSA-N 0 0 386.499 5.258 50 0 GKAARN O=C(NC1CCCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033010503 221764835 /nfs/dbraw/zinc/76/48/35/221764835.db2.gz YHHALTNLRMUTRU-UHFFFAOYSA-N 0 0 390.462 5.089 50 0 GKAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)Nc4ccccc4C)c3)n2)c1 ZINC000033025098 221765592 /nfs/dbraw/zinc/76/55/92/221765592.db2.gz JKIGCEFRCJGKLY-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1 ZINC000033021891 221766349 /nfs/dbraw/zinc/76/63/49/221766349.db2.gz IOTXWBTYLFOOJJ-UHFFFAOYSA-N 0 0 394.887 5.448 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000033123595 221773015 /nfs/dbraw/zinc/77/30/15/221773015.db2.gz ZTYWPDJWGPQNSF-UHFFFAOYSA-N 0 0 391.858 6.141 50 0 GKAARN CSc1cccc(NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033168939 221775269 /nfs/dbraw/zinc/77/52/69/221775269.db2.gz GYQVLKWBKBZKMY-UHFFFAOYSA-N 0 0 399.566 5.081 50 0 GKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)Nc1ccc2c(c1)OCO2 ZINC000033169342 221776132 /nfs/dbraw/zinc/77/61/32/221776132.db2.gz JNSGPTWLGCDCNT-UHFFFAOYSA-N 0 0 399.406 5.381 50 0 GKAARN Clc1ccc(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)cc1Cl ZINC000033246748 221777411 /nfs/dbraw/zinc/77/74/11/221777411.db2.gz WIQWLODHWXEDMJ-GBJNBNQZSA-N 0 0 393.317 7.014 50 0 GKAARN CC(C)c1nc2cc(NC(=O)c3ncc(Cl)c(Cl)c3Cl)ccc2o1 ZINC000033217010 221777798 /nfs/dbraw/zinc/77/77/98/221777798.db2.gz AIBAZWFCGJDYTP-UHFFFAOYSA-N 0 0 384.650 5.559 50 0 GKAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncnc(Nc3ccc(F)cc3Cl)c12 ZINC000033252581 221778610 /nfs/dbraw/zinc/77/86/10/221778610.db2.gz WQPYFYFMIASTLD-UHFFFAOYSA-N 0 0 384.817 5.713 50 0 GKAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)on1 ZINC000033269969 221781790 /nfs/dbraw/zinc/78/17/90/221781790.db2.gz LBMYFVDNMHGUIE-KRWDZBQOSA-N 0 0 385.851 5.084 50 0 GKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000033282160 221783811 /nfs/dbraw/zinc/78/38/11/221783811.db2.gz SJVGMBUBACBORF-INIZCTEOSA-N 0 0 389.520 6.221 50 0 GKAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(C)c3)n2)cc1 ZINC000033324961 221788657 /nfs/dbraw/zinc/78/86/57/221788657.db2.gz QMBTUIRIBUODLM-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)Nc2ccc(F)cc2)c1 ZINC000034796742 221805386 /nfs/dbraw/zinc/80/53/86/221805386.db2.gz RACNUJCIIPQMFD-UHFFFAOYSA-N 0 0 382.439 5.067 50 0 GKAARN CC[C@@H](C(=O)Nc1c(-c2cc(C)cc(C)c2)nc2cc(C)ccn21)c1ccccc1 ZINC000034915075 221809779 /nfs/dbraw/zinc/80/97/79/221809779.db2.gz XIYRQWHHEYGPCY-JOCHJYFZSA-N 0 0 397.522 6.059 50 0 GKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000035481370 221825654 /nfs/dbraw/zinc/82/56/54/221825654.db2.gz JOJWNBYDXCOSAS-NRFANRHFSA-N 0 0 393.845 5.532 50 0 GKAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1Br ZINC000035536255 221827670 /nfs/dbraw/zinc/82/76/70/221827670.db2.gz JXGZBAJHDZKGHM-UHFFFAOYSA-N 0 0 391.652 5.318 50 0 GKAARN CCc1cccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)c1 ZINC000035534864 221827679 /nfs/dbraw/zinc/82/76/79/221827679.db2.gz WCUIJGDVSKXFJY-UHFFFAOYSA-N 0 0 383.904 5.161 50 0 GKAARN CCN(CC)C(=O)c1cnc(-c2ccccc2)nc1Oc1cccc(Cl)c1 ZINC000035981744 221837046 /nfs/dbraw/zinc/83/70/46/221837046.db2.gz CRTMXMYZWXOVRV-UHFFFAOYSA-N 0 0 381.863 5.071 50 0 GKAARN CCCN(Cc1cc(-c2ccc(OC)cc2)on1)C(=O)c1ccccc1Cl ZINC000036004655 221838577 /nfs/dbraw/zinc/83/85/77/221838577.db2.gz ZPPLAYKJHZKNCZ-UHFFFAOYSA-N 0 0 384.863 5.056 50 0 GKAARN Cc1ccc(C)c(-c2cc(CN(C(=O)c3ccccc3Cl)C(C)C)no2)c1 ZINC000036005600 221838736 /nfs/dbraw/zinc/83/87/36/221838736.db2.gz KVVXHYULBDWDAU-UHFFFAOYSA-N 0 0 382.891 5.663 50 0 GKAARN Cc1ccc(OCc2nc(CN(C(=O)c3cccc(C)c3)C3CC3)cs2)cc1 ZINC000036031766 221839837 /nfs/dbraw/zinc/83/98/37/221839837.db2.gz MKCARJNATOYDPK-UHFFFAOYSA-N 0 0 392.524 5.144 50 0 GKAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc(C)cc3)C(C)C)cs2)cc1 ZINC000036114668 221842929 /nfs/dbraw/zinc/84/29/29/221842929.db2.gz RKDPWAWVTLEGEX-UHFFFAOYSA-N 0 0 394.540 5.390 50 0 GKAARN O=S(=O)(c1ccc(F)cc1)N(Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000036246379 221847926 /nfs/dbraw/zinc/84/79/26/221847926.db2.gz OWBSPHVURFWMAW-UHFFFAOYSA-N 0 0 393.842 5.014 50 0 GKAARN CC1=C[C@@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@@H](c3ccco3)[C@H]1[C@H]2C ZINC000038545580 221880891 /nfs/dbraw/zinc/88/08/91/221880891.db2.gz UBWSSQOTCAHVGX-ABZCRWFKSA-N 0 0 387.520 5.245 50 0 biogenic GKAARN COc1ccccc1Oc1cc(C(C)C)nc(SCc2ccccc2C)n1 ZINC000036349671 221852167 /nfs/dbraw/zinc/85/21/67/221852167.db2.gz NZRWVTDNXPEUKA-UHFFFAOYSA-N 0 0 380.513 6.002 50 0 GKAARN C[C@@H](NC(=O)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 ZINC000036349069 221852460 /nfs/dbraw/zinc/85/24/60/221852460.db2.gz NOPFWIBHRDRACL-LJQANCHMSA-N 0 0 394.474 6.032 50 0 GKAARN CC(C)c1cc(Oc2ccccc2C(C)C)nc(SCc2ccc(F)cc2)n1 ZINC000036349530 221852946 /nfs/dbraw/zinc/85/29/46/221852946.db2.gz LKYLYYFBCSMZBH-UHFFFAOYSA-N 0 0 396.531 6.947 50 0 GKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)Nc1ccc(F)cc1 ZINC000036646064 221862795 /nfs/dbraw/zinc/86/27/95/221862795.db2.gz SEPCFTXLLBXFFT-UHFFFAOYSA-N 0 0 390.461 5.436 50 0 GKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000036621239 221863000 /nfs/dbraw/zinc/86/30/00/221863000.db2.gz VALUKAVGLYEPES-JOCHJYFZSA-N 0 0 387.520 5.399 50 0 GKAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCc1ccccc1F ZINC000037278940 221869379 /nfs/dbraw/zinc/86/93/79/221869379.db2.gz XHEPEOQGFQOCGT-UHFFFAOYSA-N 0 0 376.387 5.130 50 0 GKAARN Cc1cccc(CNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2F)c1 ZINC000037526159 221872892 /nfs/dbraw/zinc/87/28/92/221872892.db2.gz UIXROWDNFJEOEG-UHFFFAOYSA-N 0 0 396.462 5.268 50 0 GKAARN COc1cccc(Cn2c(C(=O)N[C@@H](C)c3ccccc3)cc3sccc32)c1 ZINC000037541537 221872994 /nfs/dbraw/zinc/87/29/94/221872994.db2.gz KYPFFDRZIVVUHI-INIZCTEOSA-N 0 0 390.508 5.251 50 0 GKAARN Cc1ccc(Oc2ccc(N(C)C(=O)Nc3ccc(F)c(Cl)c3)cc2)nn1 ZINC000038670831 221882654 /nfs/dbraw/zinc/88/26/54/221882654.db2.gz BAXKJOZVILNOFB-UHFFFAOYSA-N 0 0 386.814 5.038 50 0 GKAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000040096328 221904793 /nfs/dbraw/zinc/90/47/93/221904793.db2.gz YPIIJWJHEQRBKS-UHFFFAOYSA-N 0 0 382.504 5.716 50 0 GKAARN CCn1nc(C)c(NC(=O)c2cc3oc(-c4ccccc4Cl)cc3n2C)c1C ZINC000040284202 221918041 /nfs/dbraw/zinc/91/80/41/221918041.db2.gz YRBJLHXHMZCJSA-UHFFFAOYSA-N 0 0 396.878 5.177 50 0 GKAARN O=C(c1cc2cc(Cl)ccc2o1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000041311895 221942051 /nfs/dbraw/zinc/94/20/51/221942051.db2.gz CJUYMIPVAXKLEA-SFHVURJKSA-N 0 0 387.838 5.047 50 0 GKAARN Cc1nc(C)c([C@@H](C)NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)s1 ZINC000056022059 222024948 /nfs/dbraw/zinc/02/49/48/222024948.db2.gz SPRKPPFSRHSRBF-RXMQYKEDSA-N 0 0 399.130 5.260 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]2c2cccn2C)c1 ZINC000057281186 222030125 /nfs/dbraw/zinc/03/01/25/222030125.db2.gz FHVSZSPDDLNBLU-RPWUZVMVSA-N 0 0 387.527 5.159 50 0 GKAARN CC(C)(C)[C@H]1CC(=Cc2ccccc2)C2=NC(=S)N[C@H](c3ccccc3)C2C1 ZINC000057374828 222032307 /nfs/dbraw/zinc/03/23/07/222032307.db2.gz FYALKTBMCAUHTR-YAQOUWLDSA-N 0 0 388.580 5.999 50 0 GKAARN O=C(c1ccccc1)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCCCC2 ZINC000045932667 221966023 /nfs/dbraw/zinc/96/60/23/221966023.db2.gz LDSRBZIJCWWJCY-UHFFFAOYSA-N 0 0 382.916 5.273 50 0 GKAARN Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccccc2)c1 ZINC000046012594 221969526 /nfs/dbraw/zinc/96/95/26/221969526.db2.gz WRUIUXXZHMCEMF-UHFFFAOYSA-N 0 0 382.467 5.112 50 0 GKAARN Cc1ccc(-c2csc(Cc3nc(-c4ccc(OC(C)C)cc4)no3)n2)cc1 ZINC000049006140 221993581 /nfs/dbraw/zinc/99/35/81/221993581.db2.gz UTQSVDSIZVTOSI-UHFFFAOYSA-N 0 0 391.496 5.547 50 0 GKAARN O=C(Nc1ccccc1Cl)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049442876 221999078 /nfs/dbraw/zinc/99/90/78/221999078.db2.gz KAGZMTDXFJGTIT-UHFFFAOYSA-N 0 0 387.892 5.025 50 0 GKAARN C[C@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)c1ccccc1 ZINC000049863921 222001901 /nfs/dbraw/zinc/00/19/01/222001901.db2.gz NPHDZZJREJZVIA-NSHDSACASA-N 0 0 376.503 5.166 50 0 GKAARN Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCC(C)CC1)O2 ZINC000051329985 222003962 /nfs/dbraw/zinc/00/39/62/222003962.db2.gz AAHWUMWWPFXISZ-UDOFLQGHSA-N 0 0 380.919 6.098 50 0 GKAARN CCOc1ccc(/C=C2/CCCC3=C2CO[C@H]3c2ccc(OCC)cc2)cc1 ZINC000051330053 222004676 /nfs/dbraw/zinc/00/46/76/222004676.db2.gz WSIFVAGCDJUOQZ-FMSWRSJMSA-N 0 0 376.496 6.119 50 0 GKAARN CCOc1ccc(/C=C2/CCCC3=C2CO[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000051330051 222004781 /nfs/dbraw/zinc/00/47/81/222004781.db2.gz WSIFVAGCDJUOQZ-HLBBZWKBSA-N 0 0 376.496 6.119 50 0 GKAARN O=C(Nc1ccc(Br)cc1F)Nc1ccccc1C(F)(F)F ZINC000051354232 222004981 /nfs/dbraw/zinc/00/49/81/222004981.db2.gz GELINEOLVHOBEB-UHFFFAOYSA-N 0 0 377.135 5.251 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 ZINC000051315466 222005221 /nfs/dbraw/zinc/00/52/21/222005221.db2.gz IMRQMANBOUHYDH-UHFFFAOYSA-N 0 0 376.243 5.035 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364522 222006488 /nfs/dbraw/zinc/00/64/88/222006488.db2.gz VXZGYKWKGCASGU-OAHLLOKOSA-N 0 0 399.277 5.152 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=O)CSC2=Nc3ccccc3CS2)cc1 ZINC000053615138 222011465 /nfs/dbraw/zinc/01/14/65/222011465.db2.gz FGEFHROCISFLFD-IBGZPJMESA-N 0 0 398.553 5.026 50 0 GKAARN COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1ccc(F)cc1)C2 ZINC000055310525 222020742 /nfs/dbraw/zinc/02/07/42/222020742.db2.gz FYSZSXFZVHXEOD-UHFFFAOYSA-N 0 0 383.488 5.266 50 0 GKAARN COc1cc(CN(Cc2sccc2C)Cc2ccccn2)cc(Cl)c1O ZINC000055575736 222022562 /nfs/dbraw/zinc/02/25/62/222022562.db2.gz CKKPQIZVVLTKAG-UHFFFAOYSA-N 0 0 388.920 5.022 50 0 GKAARN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000064984058 222092640 /nfs/dbraw/zinc/09/26/40/222092640.db2.gz ZMFIHZSVXBUYFW-LJQANCHMSA-N 0 0 377.937 5.263 50 0 GKAARN CCOc1c2cc(NC(=O)Nc3ccc(CC)cc3)ccc2sc1C(=O)OC ZINC000065022904 222094440 /nfs/dbraw/zinc/09/44/40/222094440.db2.gz WNGBMVKHOWOAEW-UHFFFAOYSA-N 0 0 398.484 5.293 50 0 GKAARN CC(=O)Nc1ccc(Cc2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1 ZINC000065005086 222094510 /nfs/dbraw/zinc/09/45/10/222094510.db2.gz SHIAUPNZBSRZSZ-UHFFFAOYSA-N 0 0 385.423 5.078 50 0 GKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(/C=C/c4ccco4)n3)cc2)cc1 ZINC000065005359 222094584 /nfs/dbraw/zinc/09/45/84/222094584.db2.gz WCNOFOAYIBKIJW-OUKQBFOZSA-N 0 0 387.395 5.251 50 0 GKAARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000065033890 222096167 /nfs/dbraw/zinc/09/61/67/222096167.db2.gz IRLJYLOGXRNZOO-UHFFFAOYSA-N 0 0 398.462 5.561 50 0 GKAARN COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)cc1 ZINC000065033830 222096722 /nfs/dbraw/zinc/09/67/22/222096722.db2.gz NQLVOINZAGLHJB-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN O=C(NCCC1=CCCCC1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000065036771 222096795 /nfs/dbraw/zinc/09/67/95/222096795.db2.gz OBSUOOCJYYBJRB-UHFFFAOYSA-N 0 0 399.494 5.556 50 0 GKAARN COc1ccc2oc(-c3noc(Cc4ccc(OC)c(Cl)c4)n3)c(C)c2c1 ZINC000065097299 222100363 /nfs/dbraw/zinc/10/03/63/222100363.db2.gz RWGXPRAKFZVSOQ-UHFFFAOYSA-N 0 0 384.819 5.053 50 0 GKAARN Cc1ccccc1Oc1nccnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000065111172 222100627 /nfs/dbraw/zinc/10/06/27/222100627.db2.gz OSHGZQGUMMAQJW-UHFFFAOYSA-N 0 0 393.512 5.432 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)N(CC)Cc2ccccc2)c1 ZINC000065172803 222105736 /nfs/dbraw/zinc/10/57/36/222105736.db2.gz JKOHCBFZKNQMNO-UHFFFAOYSA-N 0 0 398.510 5.171 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2ccc(CC)cc2)c1 ZINC000065172832 222106463 /nfs/dbraw/zinc/10/64/63/222106463.db2.gz RGQRKLMVYQHPMY-UHFFFAOYSA-N 0 0 384.483 5.323 50 0 GKAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1ccc(Cl)cc1C ZINC000065184755 222107734 /nfs/dbraw/zinc/10/77/34/222107734.db2.gz JHRJEWNXMYBPHU-UHFFFAOYSA-N 0 0 375.856 5.548 50 0 GKAARN CCSc1ccc(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)nn1 ZINC000065185893 222109123 /nfs/dbraw/zinc/10/91/23/222109123.db2.gz ZYVZNPURDJWWHE-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/05/07/69/222050769.db2.gz RBIBUIACZTVXTQ-UHFFFAOYSA-N 0 0 377.227 5.047 50 0 GKAARN CCc1noc([C@H](C)Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000058356837 222050879 /nfs/dbraw/zinc/05/08/79/222050879.db2.gz BMMGFCRHHBQXIS-AWEZNQCLSA-N 0 0 377.469 5.807 50 0 GKAARN COc1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)cc1 ZINC000058368504 222051509 /nfs/dbraw/zinc/05/15/09/222051509.db2.gz MASLKALMPOAAHH-QGZVFWFLSA-N 0 0 380.513 5.422 50 0 GKAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000058404600 222052238 /nfs/dbraw/zinc/05/22/38/222052238.db2.gz OJPAHTOBGVONND-UHFFFAOYSA-N 0 0 397.478 5.218 50 0 GKAARN O=C(Nc1ccccc1NCC(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000058425610 222052560 /nfs/dbraw/zinc/05/25/60/222052560.db2.gz PQIFSRBRLACVRE-UHFFFAOYSA-N 0 0 382.385 5.484 50 0 GKAARN O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc2ccccc2c1 ZINC000059316979 222056232 /nfs/dbraw/zinc/05/62/32/222056232.db2.gz JSJUBNHZCFKUKY-UHFFFAOYSA-N 0 0 376.348 6.485 50 0 GKAARN CC[C@@H](C)[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1C)c1ccccc1 ZINC000060106330 222057235 /nfs/dbraw/zinc/05/72/35/222057235.db2.gz PRRLGZUZEZNTJA-IERDGZPVSA-N 0 0 375.472 5.346 50 0 GKAARN C[C@H](Cc1nnc(S[C@@H](C)c2ccc(F)c(Cl)c2)o1)c1ccccc1 ZINC000059928582 222058320 /nfs/dbraw/zinc/05/83/20/222058320.db2.gz YUYJXBWUXUNZKP-OLZOCXBDSA-N 0 0 376.884 6.062 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000060114327 222058580 /nfs/dbraw/zinc/05/85/80/222058580.db2.gz YUQLUQLXQMDILL-INIZCTEOSA-N 0 0 393.506 5.114 50 0 GKAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)s1 ZINC000060389047 222059796 /nfs/dbraw/zinc/05/97/96/222059796.db2.gz TXIZUAXUDXQATM-UHFFFAOYSA-N 0 0 396.299 5.156 50 0 GKAARN O=C(N1CCC(n2cccc2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000060449823 222060151 /nfs/dbraw/zinc/06/01/51/222060151.db2.gz UZSKBKMHWJTWMZ-UHFFFAOYSA-N 0 0 390.449 5.182 50 0 GKAARN O=C(Nc1nnc(SCc2cccc3ccccc32)s1)c1ccsc1 ZINC000061997226 222064070 /nfs/dbraw/zinc/06/40/70/222064070.db2.gz 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222072495 /nfs/dbraw/zinc/07/24/95/222072495.db2.gz DXFFZAVQTICINT-UHFFFAOYSA-N 0 0 390.483 5.583 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)c1 ZINC000064578539 222074728 /nfs/dbraw/zinc/07/47/28/222074728.db2.gz CPHOYBWBVBTXGP-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3cccc(F)c3)c2c1 ZINC000064568464 222075075 /nfs/dbraw/zinc/07/50/75/222075075.db2.gz ZLRFMQOFVRYLAT-INIZCTEOSA-N 0 0 377.463 5.298 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccc(Cl)cc3)cc12 ZINC000064567913 222075226 /nfs/dbraw/zinc/07/52/26/222075226.db2.gz JMCXLXKDYKFPOP-UHFFFAOYSA-N 0 0 399.878 5.118 50 0 GKAARN CCCN(CCC)C(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578617 222075291 /nfs/dbraw/zinc/07/52/91/222075291.db2.gz HXHZTEKSQOWNDX-UHFFFAOYSA-N 0 0 393.462 5.337 50 0 GKAARN COc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc32)cc1Cl ZINC000064568367 222075450 /nfs/dbraw/zinc/07/54/50/222075450.db2.gz CFUGJSVZJGTFCZ-UHFFFAOYSA-N 0 0 395.890 5.267 50 0 GKAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3cccc(F)c3)sc21 ZINC000064567950 222075606 /nfs/dbraw/zinc/07/56/06/222075606.db2.gz QDVCKCCPNDEGPN-UHFFFAOYSA-N 0 0 399.878 5.024 50 0 GKAARN COc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(C)cc(C)c2)CC3)cc1 ZINC000064659834 222076916 /nfs/dbraw/zinc/07/69/16/222076916.db2.gz DOKCPPCPYPDKDO-UHFFFAOYSA-N 0 0 393.512 5.026 50 0 GKAARN Cc1ccc(C)c(Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 ZINC000064667776 222077458 /nfs/dbraw/zinc/07/74/58/222077458.db2.gz WATONHMEUKGQGR-UHFFFAOYSA-N 0 0 380.900 5.444 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(C)c4)n3)cc2)o1 ZINC000064664033 222077878 /nfs/dbraw/zinc/07/78/78/222077878.db2.gz IXSXTFONAVZBMW-UHFFFAOYSA-N 0 0 398.466 5.027 50 0 GKAARN Cc1nc(-c2ccc(-c3noc(-c4ccc(Br)o4)n3)cc2)cs1 ZINC000064669027 222078276 /nfs/dbraw/zinc/07/82/76/222078276.db2.gz AUNPLFUZNCSHGI-UHFFFAOYSA-N 0 0 388.246 5.191 50 0 GKAARN Cc1cccc(OCc2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)c1 ZINC000064669239 222078529 /nfs/dbraw/zinc/07/85/29/222078529.db2.gz 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222079512 /nfs/dbraw/zinc/07/95/12/222079512.db2.gz YKYBGQCTEMYGQF-UHFFFAOYSA-N 0 0 393.849 5.365 50 0 GKAARN CCN1c2cc(C(=O)Nc3cc(C)ccc3C)ccc2Oc2ccccc2C1=O ZINC000064677307 222079570 /nfs/dbraw/zinc/07/95/70/222079570.db2.gz OLFVHYCBXBTQGZ-UHFFFAOYSA-N 0 0 386.451 5.328 50 0 GKAARN CCc1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)c1 ZINC000064676269 222079584 /nfs/dbraw/zinc/07/95/84/222079584.db2.gz VMHAAFAAGDNHLU-UHFFFAOYSA-N 0 0 389.524 5.423 50 0 GKAARN Cc1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)c1 ZINC000064676293 222079592 /nfs/dbraw/zinc/07/95/92/222079592.db2.gz WOUPRAWQXIMBMF-UHFFFAOYSA-N 0 0 375.497 5.169 50 0 GKAARN CCOc1ccc(-c2noc(Cc3nc(-c4ccc(C)cc4C)cs3)n2)cc1 ZINC000064677635 222079638 /nfs/dbraw/zinc/07/96/38/222079638.db2.gz OIVICQOAILKGTQ-UHFFFAOYSA-N 0 0 391.496 5.466 50 0 GKAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)cs2)s1 ZINC000064676533 222079648 /nfs/dbraw/zinc/07/96/48/222079648.db2.gz JEYFTWZOKGHFID-UHFFFAOYSA-N 0 0 379.304 5.195 50 0 GKAARN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)NC1CCCCCC1 ZINC000064675661 222079675 /nfs/dbraw/zinc/07/96/75/222079675.db2.gz XCYKKSRYXNYWOD-UHFFFAOYSA-N 0 0 395.934 5.426 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(C)c4)n3)cc2)o1 ZINC000064676073 222079864 /nfs/dbraw/zinc/07/98/64/222079864.db2.gz QNEBHZKXHDKNGQ-UHFFFAOYSA-N 0 0 399.450 5.076 50 0 GKAARN COc1c2ccc(Cl)cc2sc1C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000064756805 222080758 /nfs/dbraw/zinc/08/07/58/222080758.db2.gz WVJIYXWGODNABB-NSHDSACASA-N 0 0 375.877 5.063 50 0 GKAARN COc1c2cc(Cl)ccc2sc1C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000064756651 222081049 /nfs/dbraw/zinc/08/10/49/222081049.db2.gz AQAONQKDLHPXBO-LLVKDONJSA-N 0 0 375.877 5.063 50 0 GKAARN CC(C)c1cc(Nc2ccc3ccccc3c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791008 222082388 /nfs/dbraw/zinc/08/23/88/222082388.db2.gz RFSNFOWTTRWEDZ-UHFFFAOYSA-N 0 0 380.455 5.207 50 0 GKAARN COc1ccc(Cl)c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000064830519 222083679 /nfs/dbraw/zinc/08/36/79/222083679.db2.gz JQKALXGXDRBHME-UHFFFAOYSA-N 0 0 393.295 5.307 50 0 GKAARN CCN(C(=O)c1cc2c(c3ccccc3oc2=O)n1CC)c1cccc(Cl)c1 ZINC000064839088 222083938 /nfs/dbraw/zinc/08/39/38/222083938.db2.gz ZMVOBLFALFRDCA-UHFFFAOYSA-N 0 0 394.858 5.088 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847588 222084666 /nfs/dbraw/zinc/08/46/66/222084666.db2.gz QRVFFLXSUKUXJO-MRXNPFEDSA-N 0 0 399.922 5.167 50 0 GKAARN Cc1cccc(-c2csc(C(=O)Nc3cccc(Cl)c3)c2-n2cccc2)c1 ZINC000064872274 222086018 /nfs/dbraw/zinc/08/60/18/222086018.db2.gz VHHCASLZRUCOMJ-UHFFFAOYSA-N 0 0 392.911 6.420 50 0 GKAARN CCc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 ZINC000064872259 222087023 /nfs/dbraw/zinc/08/70/23/222087023.db2.gz VNYTZBKAIPXFRV-UHFFFAOYSA-N 0 0 386.520 6.329 50 0 GKAARN C[C@H](NC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)c1ccccc1 ZINC000064956016 222089601 /nfs/dbraw/zinc/08/96/01/222089601.db2.gz WBJLVBAEZJNTEV-INIZCTEOSA-N 0 0 389.886 5.229 50 0 GKAARN CCCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2ccccc21 ZINC000064963673 222090922 /nfs/dbraw/zinc/09/09/22/222090922.db2.gz BBDWMZZSMHHCII-UHFFFAOYSA-N 0 0 399.372 5.147 50 0 GKAARN Cc1ccc(C2=Nc3ccccc3N=C(SCC(=O)NC3CCCC3)C2)cc1 ZINC000064967227 222091409 /nfs/dbraw/zinc/09/14/09/222091409.db2.gz LFNWUXDAWAPOGW-UHFFFAOYSA-N 0 0 391.540 5.342 50 0 GKAARN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000064984059 222092088 /nfs/dbraw/zinc/09/20/88/222092088.db2.gz ZMFIHZSVXBUYFW-IBGZPJMESA-N 0 0 377.937 5.263 50 0 GKAARN CCOc1ccc(-c2nc3sc4cc(C)ccc4n3c2NCCCOC)cc1 ZINC000065319314 222123215 /nfs/dbraw/zinc/12/32/15/222123215.db2.gz DQJRTWHQXWOVPS-UHFFFAOYSA-N 0 0 395.528 5.372 50 0 GKAARN CSc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1 ZINC000065331348 222125271 /nfs/dbraw/zinc/12/52/71/222125271.db2.gz KQOOLTOMDBGRKL-HNNXBMFYSA-N 0 0 383.904 5.030 50 0 GKAARN Cc1cc(NC(=O)c2cc(-c3cccc(F)c3)no2)ccc1Oc1cccnc1 ZINC000065491261 222132005 /nfs/dbraw/zinc/13/20/05/222132005.db2.gz LUBCNYJTGMWPIN-UHFFFAOYSA-N 0 0 389.386 5.229 50 0 GKAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc3cccnc32)cc1 ZINC000065587612 222135971 /nfs/dbraw/zinc/13/59/71/222135971.db2.gz HGBBCXPHDIBOIP-OAQYLSRUSA-N 0 0 375.472 5.393 50 0 GKAARN O=C(Nc1ccccc1F)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000067245151 222142630 /nfs/dbraw/zinc/14/26/30/222142630.db2.gz LPYNSSUWVHECSP-UHFFFAOYSA-N 0 0 396.874 6.251 50 0 GKAARN CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067296390 222143519 /nfs/dbraw/zinc/14/35/19/222143519.db2.gz ISNKVXVXPLBQRP-GYHWCHFESA-N 0 0 387.464 5.034 50 0 GKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(C)c2)n1 ZINC000067296659 222143777 /nfs/dbraw/zinc/14/37/77/222143777.db2.gz DDHKRHAPDFRBCJ-LCUIJRPUSA-N 0 0 383.451 5.238 50 0 GKAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1Cl ZINC000067296318 222144174 /nfs/dbraw/zinc/14/41/74/222144174.db2.gz ZKSNJCVQWQQBMR-DAFNUICNSA-N 0 0 393.805 5.105 50 0 GKAARN C[C@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21)c1ccc(F)cc1 ZINC000067288506 222144410 /nfs/dbraw/zinc/14/44/10/222144410.db2.gz QSSKGNRZCMRFRY-HNNXBMFYSA-N 0 0 395.453 5.312 50 0 GKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccccc1Cl ZINC000067296090 222144447 /nfs/dbraw/zinc/14/44/47/222144447.db2.gz PKDDVLNSZSSWQA-PYCFMQQDSA-N 0 0 381.844 5.027 50 0 GKAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)c(C)c1 ZINC000067297050 222144695 /nfs/dbraw/zinc/14/46/95/222144695.db2.gz DXOPCUXRUUPRMX-LCUIJRPUSA-N 0 0 386.426 5.673 50 0 GKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cc(F)cc(F)c1 ZINC000067297407 222145424 /nfs/dbraw/zinc/14/54/24/222145424.db2.gz QPDRCZRGFBPZAK-ROMGYVFFSA-N 0 0 376.362 5.196 50 0 GKAARN CCOc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)cs3)c2C)cc1 ZINC000067341552 222146780 /nfs/dbraw/zinc/14/67/80/222146780.db2.gz FBXHKUXBDGLUST-UHFFFAOYSA-N 0 0 396.903 5.418 50 0 GKAARN Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(C/C=C/c1ccccc1)C2 ZINC000067886590 222165612 /nfs/dbraw/zinc/16/56/12/222165612.db2.gz IETSIJVGSCZHFL-QPJJXVBHSA-N 0 0 392.886 5.015 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCc1ccccc1Cl ZINC000071326618 222181715 /nfs/dbraw/zinc/18/17/15/222181715.db2.gz AHUHPDDVDSINLV-UHFFFAOYSA-N 0 0 385.920 5.395 50 0 GKAARN Cc1nc(C(=O)NCc2cc(Cl)cc3c(C)c(-c4ccccc4)[nH]c32)c(C)o1 ZINC000071775581 222197336 /nfs/dbraw/zinc/19/73/36/222197336.db2.gz YHMANUDIYNTJLS-UHFFFAOYSA-N 0 0 393.874 5.332 50 0 GKAARN Fc1cccc(C2(c3nnc(Cc4cccc5ccccc54)o3)CCOCC2)c1 ZINC000071889892 222199402 /nfs/dbraw/zinc/19/94/02/222199402.db2.gz GVCNRWITMYTYIZ-UHFFFAOYSA-N 0 0 388.442 5.049 50 0 GKAARN C[C@@](NC(=O)CCCCc1ccc(Br)cc1)(C1CC1)C(F)(F)F ZINC000072307909 222221151 /nfs/dbraw/zinc/22/11/51/222221151.db2.gz HVAWJOCBJAXKPU-MRXNPFEDSA-N 0 0 392.259 5.009 50 0 GKAARN COc1ccc(-c2csc3ncnc(N[C@@H]4CCc5c4cccc5O)c23)cc1 ZINC000072307625 222221968 /nfs/dbraw/zinc/22/19/68/222221968.db2.gz PJXIPPMCVDRXEJ-GOSISDBHSA-N 0 0 389.480 5.172 50 0 GKAARN CC[C@@](C)(NCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1nccs1 ZINC000072305187 222222079 /nfs/dbraw/zinc/22/20/79/222222079.db2.gz VTRXQTBWOLKWDS-JOCHJYFZSA-N 0 0 395.528 5.097 50 0 GKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1F ZINC000072328527 222228923 /nfs/dbraw/zinc/22/89/23/222228923.db2.gz NAXKPIWLOJIWQW-UHFFFAOYSA-N 0 0 385.870 5.121 50 0 GKAARN O=C1N=C(Nc2ccc(F)c(Cl)c2)C(=Cc2cccc3nccnc23)S1 ZINC000072400854 222254008 /nfs/dbraw/zinc/25/40/08/222254008.db2.gz XAXAXNUQXORBQM-NVNXTCNLSA-N 0 0 384.823 5.141 50 0 GKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCCO)cc1 ZINC000085430363 222322601 /nfs/dbraw/zinc/32/26/01/222322601.db2.gz BBAXRZRMYZBWAP-VWLOTQADSA-N 0 0 396.490 5.071 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(F)cc2Cl)S1 ZINC000085412446 222322915 /nfs/dbraw/zinc/32/29/15/222322915.db2.gz VNOZMWOWLXZANM-KRWDZBQOSA-N 0 0 393.915 5.750 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c1 ZINC000085649833 222324982 /nfs/dbraw/zinc/32/49/82/222324982.db2.gz XACDQPQHNAKDDP-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 ZINC000085649609 222325675 /nfs/dbraw/zinc/32/56/75/222325675.db2.gz WJGPSLBVOGNLLV-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000085808044 222325910 /nfs/dbraw/zinc/32/59/10/222325910.db2.gz CRMQDDPRKSHUSZ-UHFFFAOYSA-N 0 0 397.812 6.411 50 0 GKAARN CCOc1ccccc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000085808138 222325917 /nfs/dbraw/zinc/32/59/17/222325917.db2.gz ZCZMMYLTDFKINU-UHFFFAOYSA-N 0 0 389.430 6.017 50 0 GKAARN Cc1cc([C@@H]2CCCN2C(=O)c2ccc3nc(C4CCCCC4)oc3c2)no1 ZINC000095516562 222345213 /nfs/dbraw/zinc/34/52/13/222345213.db2.gz LGTOMBKVFPKZNN-IBGZPJMESA-N 0 0 379.460 5.149 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N(CCc1cccs1)Cc1ccco1 ZINC000077184043 222273970 /nfs/dbraw/zinc/27/39/70/222273970.db2.gz PGRZVPNKLAEMHL-UHFFFAOYSA-N 0 0 394.418 5.637 50 0 GKAARN O=C(Nc1ccccc1Cl)NC1(c2nc(-c3ccccc3)no2)CCCCC1 ZINC000077197409 222275334 /nfs/dbraw/zinc/27/53/34/222275334.db2.gz GNOBGFRLPOXAHY-UHFFFAOYSA-N 0 0 396.878 5.371 50 0 GKAARN FC(F)(F)c1cccc(-c2noc(C3CN(Cc4ccccc4Cl)C3)n2)c1 ZINC000077191114 222276006 /nfs/dbraw/zinc/27/60/06/222276006.db2.gz IHQUQXBOSKRLLX-UHFFFAOYSA-N 0 0 393.796 5.008 50 0 GKAARN Cc1csc(-c2cccc(C(=O)N3CCCCC[C@@H]3[C@@H]3CCCCC3=O)c2)n1 ZINC000079066579 222301302 /nfs/dbraw/zinc/30/13/02/222301302.db2.gz IOAPMQBSRXUZKE-VQTJNVASSA-N 0 0 396.556 5.263 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1c(C)onc1-c1ccc(Cl)cc1 ZINC000080345634 222306801 /nfs/dbraw/zinc/30/68/01/222306801.db2.gz KRVYGJAHNMFBIZ-UHFFFAOYSA-N 0 0 377.227 5.218 50 0 GKAARN COc1cc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc32)cc(OC)c1 ZINC000083920130 222312966 /nfs/dbraw/zinc/31/29/66/222312966.db2.gz LEMGMKLOEBQKQY-JOCHJYFZSA-N 0 0 376.456 5.226 50 0 GKAARN CC(C)c1ccsc1C(=O)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000084630678 222318549 /nfs/dbraw/zinc/31/85/49/222318549.db2.gz YFXQXNICZIRXAZ-UHFFFAOYSA-N 0 0 378.469 5.449 50 0 GKAARN Cc1cc([C@H]2CCCN2C(=O)c2ccc3nc(C4CCCCC4)oc3c2)on1 ZINC000095524904 222347877 /nfs/dbraw/zinc/34/78/77/222347877.db2.gz IXNHKNYKRWNNDV-GOSISDBHSA-N 0 0 379.460 5.149 50 0 GKAARN COc1c(F)cc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)cc1F ZINC000095959714 222365496 /nfs/dbraw/zinc/36/54/96/222365496.db2.gz LLYCJZVXULIEQJ-UHFFFAOYSA-N 0 0 390.773 5.066 50 0 GKAARN CCc1ccc(CCC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC000096006644 222370566 /nfs/dbraw/zinc/37/05/66/222370566.db2.gz AVULXVWGMYYPSY-UHFFFAOYSA-N 0 0 387.405 5.025 50 0 GKAARN CCCCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(C)cc32)cc1 ZINC000096035926 222372741 /nfs/dbraw/zinc/37/27/41/222372741.db2.gz JUQJDNBAQXOAAD-UHFFFAOYSA-N 0 0 383.495 5.608 50 0 GKAARN O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000096115759 222382932 /nfs/dbraw/zinc/38/29/32/222382932.db2.gz WKDKEJXRLAOWAZ-JOCHJYFZSA-N 0 0 389.474 5.305 50 0 biogenic GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Oc2ccccn2)c1 ZINC000096122622 222383705 /nfs/dbraw/zinc/38/37/05/222383705.db2.gz GNEAIVOAJUFNOK-UHFFFAOYSA-N 0 0 392.764 5.798 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)c1cccc(Oc2ccccn2)c1 ZINC000096122656 222384551 /nfs/dbraw/zinc/38/45/51/222384551.db2.gz IIEPFBFJKQALTJ-UHFFFAOYSA-N 0 0 383.245 5.197 50 0 GKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000096171098 222395090 /nfs/dbraw/zinc/39/50/90/222395090.db2.gz WJWAXZDBTBQLSS-UHFFFAOYSA-N 0 0 383.584 6.310 50 0 GKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl ZINC000096171118 222395564 /nfs/dbraw/zinc/39/55/64/222395564.db2.gz JHWZWBPSPPSCBN-UHFFFAOYSA-N 0 0 383.584 6.310 50 0 GKAARN O=C(c1coc2ccc(OCc3cccc(Cl)c3)cc12)c1ccc(F)cc1 ZINC000096184259 222396802 /nfs/dbraw/zinc/39/68/02/222396802.db2.gz BOFSGBPZWCFPGC-UHFFFAOYSA-N 0 0 380.802 6.035 50 0 GKAARN COc1cccc(C(=O)c2coc3ccc(OCc4cccc(Cl)c4)cc23)c1 ZINC000096184238 222397275 /nfs/dbraw/zinc/39/72/75/222397275.db2.gz RMGRCFXXZWYVDS-UHFFFAOYSA-N 0 0 392.838 5.905 50 0 GKAARN Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccc(C)c(Cl)c3)no2)C(C)C)cc1 ZINC000096293551 222409866 /nfs/dbraw/zinc/40/98/66/222409866.db2.gz KMPWQEWVDDALNB-GOSISDBHSA-N 0 0 383.879 5.134 50 0 GKAARN Cc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCC3)c2)cc1C ZINC000096386532 222417393 /nfs/dbraw/zinc/41/73/93/222417393.db2.gz VQXOSJXIQPJEHX-UHFFFAOYSA-N 0 0 387.487 5.005 50 0 GKAARN O=C(/C=C\c1ccc2ccccc2n1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000096912750 222428477 /nfs/dbraw/zinc/42/84/77/222428477.db2.gz LSPAHXPGOPUAMO-DDAIRQTISA-N 0 0 399.519 5.612 50 0 GKAARN CC(=O)N(c1nc(/C=C\c2ccc3ccccc3n2)cs1)c1cccc(C)c1C ZINC000096924454 222430124 /nfs/dbraw/zinc/43/01/24/222430124.db2.gz HSEFAJCEGAGCDA-YPKPFQOOSA-N 0 0 399.519 6.163 50 0 GKAARN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000103653411 222498609 /nfs/dbraw/zinc/49/86/09/222498609.db2.gz JYZIECIGLKAAAL-BBWFWOEESA-N 0 0 395.934 5.422 50 0 GKAARN O=C1CCC[C@@]2(C1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 ZINC000100671139 222461492 /nfs/dbraw/zinc/46/14/92/222461492.db2.gz BMWODHDUVUFOMY-CTNGQTDRSA-N 0 0 384.838 5.345 50 0 GKAARN Clc1ccc([C@@H]2C[C@H](c3ccccc3)n3c4ccccc4nc3N2)cc1Cl ZINC000101229009 222469174 /nfs/dbraw/zinc/46/91/74/222469174.db2.gz JUWSGESAFYHHDF-PZJWPPBQSA-N 0 0 394.305 6.489 50 0 GKAARN CC(C)N(C)C1=Nc2ccccc2Oc2ccc(NC(=O)c3ccccc3)cc21 ZINC000102230761 222480401 /nfs/dbraw/zinc/48/04/01/222480401.db2.gz SYYIOJLJQVXIIH-UHFFFAOYSA-N 0 0 385.467 5.463 50 0 GKAARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C12 ZINC000102597539 222482503 /nfs/dbraw/zinc/48/25/03/222482503.db2.gz WKIDLQRMRCFMIQ-QMHKHESXSA-N 0 0 381.435 5.695 50 0 GKAARN COc1ccccc1N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102720956 222485686 /nfs/dbraw/zinc/48/56/86/222485686.db2.gz FBUQLYFJEDDHHF-UHFFFAOYSA-N 0 0 397.887 5.239 50 0 GKAARN COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685730 222538647 /nfs/dbraw/zinc/53/86/47/222538647.db2.gz NLDXKOTVXMYGJY-AVRDEDQJSA-N 0 0 396.393 5.117 50 0 GKAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(Oc2ccc(F)cc2)c1 ZINC000206760228 222568303 /nfs/dbraw/zinc/56/83/03/222568303.db2.gz ZUSAXOWDOOCGSE-QIDMFYOTSA-N 0 0 399.531 5.436 50 0 GKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000001158341 533791426 /nfs/dbraw/zinc/79/14/26/533791426.db2.gz PYRKJBDLXHHVBP-UHFFFAOYSA-N 0 0 378.177 5.338 50 0 GKAARN Cc1ccc(CN2CCN(Cc3ccccc3F)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000019326521 533932022 /nfs/dbraw/zinc/93/20/22/533932022.db2.gz QTIDLJRLKUBRLB-XMMPIXPASA-N 0 0 394.921 5.804 50 0 GKAARN Cc1ccc(CSc2nc3c4ccccc4sc3c(NC3CC3)n2)cc1 ZINC000004092637 534108432 /nfs/dbraw/zinc/10/84/32/534108432.db2.gz BFBYQNGESIMDDV-UHFFFAOYSA-N 0 0 377.538 6.020 50 0 GKAARN Cc1c(C(=O)Nc2c(C)cccc2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084350 518185890 /nfs/dbraw/zinc/18/58/90/518185890.db2.gz HDURSNPHTQQDLL-UHFFFAOYSA-N 0 0 394.544 5.168 50 0 GKAARN Fc1ccc(F)c(CSc2nnc(-c3cccs3)n2-c2ccccc2)c1 ZINC000004356146 518196184 /nfs/dbraw/zinc/19/61/84/518196184.db2.gz OMGODDOHMCPMST-UHFFFAOYSA-N 0 0 385.464 5.566 50 0 GKAARN O=C(COc1ccccc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033036626 518198775 /nfs/dbraw/zinc/19/87/75/518198775.db2.gz NZULZOQNRQLCCE-UHFFFAOYSA-N 0 0 376.843 5.506 50 0 GKAARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3cccc(Br)c3)C12 ZINC000101100768 534343786 /nfs/dbraw/zinc/34/37/86/534343786.db2.gz RZHAWQYTOWUJAZ-IBGZPJMESA-N 0 0 394.272 5.470 50 0 GKAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000095361103 534359869 /nfs/dbraw/zinc/35/98/69/534359869.db2.gz IEMVHGJLJCWQMJ-UHFFFAOYSA-N 0 0 386.782 5.548 50 0 GKAARN CC(C)(C)c1ccc(Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000017987971 519041444 /nfs/dbraw/zinc/04/14/44/519041444.db2.gz ZJWKSAIALILKEX-SFTDATJTSA-N 0 0 377.484 5.456 50 0 GKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000000825995 519472807 /nfs/dbraw/zinc/47/28/07/519472807.db2.gz JTPBHSOTKJMPKR-HOYKHHGWSA-N 0 0 384.479 5.220 50 0 GKAARN CC(=O)Nc1ccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccccc32)cc1 ZINC000100744546 519709204 /nfs/dbraw/zinc/70/92/04/519709204.db2.gz KJGKVGIDRIFYDC-QOMWVZHYSA-N 0 0 398.418 5.019 50 0 biogenic GKAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@](C)(C(C)=O)[C@]4(C)CC[C@@H]32)C1 ZINC000253502121 519757143 /nfs/dbraw/zinc/75/71/43/519757143.db2.gz CYQDBDOFCYSROZ-DAMOXLJOSA-N 0 0 386.576 5.722 50 0 GKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H](C)[C@](C)(C(C)=O)[C@]4(C)CC[C@H]32)C1 ZINC000253503530 519757824 /nfs/dbraw/zinc/75/78/24/519757824.db2.gz CYQDBDOFCYSROZ-LAXTTXKWSA-N 0 0 386.576 5.722 50 0 GKAARN CCNc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)s1 ZINC000008185179 520385133 /nfs/dbraw/zinc/38/51/33/520385133.db2.gz BXRAPKNHSLEPHS-GOSISDBHSA-N 0 0 394.525 5.168 50 0 GKAARN CC1=CC(C)(C)N(C(=O)CSc2nc3ccccc3s2)c2ccccc21 ZINC000000755047 520852535 /nfs/dbraw/zinc/85/25/35/520852535.db2.gz VCORZSOYKVJUMD-UHFFFAOYSA-N 0 0 380.538 5.617 50 0 GKAARN CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1 ZINC000004757353 520876883 /nfs/dbraw/zinc/87/68/83/520876883.db2.gz MUNBRYISQCIEFO-UHFFFAOYSA-N 0 0 397.906 5.060 50 0 GKAARN c1sc2ncnc(Nc3ccccc3)c2c1-c1ccc(-c2ccccc2)cc1 ZINC000002083457 534545876 /nfs/dbraw/zinc/54/58/76/534545876.db2.gz ULFAXCCDCHFGDI-UHFFFAOYSA-N 0 0 379.488 6.769 50 0 GKAARN CCCCc1ccc(C(=O)Nc2ccc3nc(N(CC)CC)cc(C)c3c2)cc1 ZINC000004757316 521269139 /nfs/dbraw/zinc/26/91/39/521269139.db2.gz YCIJYURDIUPMLP-UHFFFAOYSA-N 0 0 389.543 5.984 50 0 GKAARN CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000252670774 521585439 /nfs/dbraw/zinc/58/54/39/521585439.db2.gz LQUYAEKVMMFPQZ-HBMCJLEFSA-N 0 0 381.516 5.101 50 0 GKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cccc2ccccc21 ZINC000006461100 534636098 /nfs/dbraw/zinc/63/60/98/534636098.db2.gz WGSLJRROVASLHV-UHFFFAOYSA-N 0 0 396.446 5.110 50 0 GKAARN O=C(c1ccc(-c2ccc3c(c2)CCO3)cc1)N1CCCC[C@H]1c1cccnc1 ZINC000426444605 534680109 /nfs/dbraw/zinc/68/01/09/534680109.db2.gz MSIHXFVMHDEUPX-QHCPKHFHSA-N 0 0 384.479 5.051 50 0 GKAARN CC[C@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1C(C)=O ZINC000253503628 523384238 /nfs/dbraw/zinc/38/42/38/523384238.db2.gz QBDHHZLEIBPNSS-KYGIZPKFSA-N 0 0 386.576 5.722 50 0 GKAARN CC[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C(C)=O ZINC000252007930 523548644 /nfs/dbraw/zinc/54/86/44/523548644.db2.gz QBDHHZLEIBPNSS-VQEHKSCWSA-N 0 0 386.576 5.722 50 0 GKAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000008757177 534757291 /nfs/dbraw/zinc/75/72/91/534757291.db2.gz OZQZYIJJQRAICA-HXUWFJFHSA-N 0 0 389.451 5.004 50 0 GKAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000001948901 534804962 /nfs/dbraw/zinc/80/49/62/534804962.db2.gz AGPCMBLGXSWJQT-MKMNVTDBSA-N 0 0 387.049 5.645 50 0 GKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc2c(c1)OCO2 ZINC000000828379 524816418 /nfs/dbraw/zinc/81/64/18/524816418.db2.gz BHSQYQUQOZJMJA-OXJNMPFZSA-N 0 0 386.451 5.008 50 0 GKAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)o1 ZINC000029884977 524859861 /nfs/dbraw/zinc/85/98/61/524859861.db2.gz GFYUTGBLLBTBDK-JXFKEZNVSA-N 0 0 397.478 5.285 50 0 GKAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)o1 ZINC000029884837 524859874 /nfs/dbraw/zinc/85/98/74/524859874.db2.gz PDPVRLWRXPMGMT-BTYIYWSLSA-N 0 0 391.442 5.045 50 0 GKAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl ZINC000003448234 525218012 /nfs/dbraw/zinc/21/80/12/525218012.db2.gz ROHFHHQBSHILLN-HXUWFJFHSA-N 0 0 397.833 5.324 50 0 aggregator GKAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)o1 ZINC000029884976 525338595 /nfs/dbraw/zinc/33/85/95/525338595.db2.gz GFYUTGBLLBTBDK-UZLBHIALSA-N 0 0 397.478 5.285 50 0 GKAARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)o1 ZINC000029884978 525507025 /nfs/dbraw/zinc/50/70/25/525507025.db2.gz GFYUTGBLLBTBDK-OXQOHEQNSA-N 0 0 397.478 5.285 50 0 GKAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccccc1F)[C@@H]2O ZINC000253498444 525914430 /nfs/dbraw/zinc/91/44/30/525914430.db2.gz KSPVZBIZOLYUPJ-OZJGGZRMSA-N 0 0 382.563 6.613 50 0 GKAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccccc1Cl)[C@@H]2O ZINC000253528857 525914441 /nfs/dbraw/zinc/91/44/41/525914441.db2.gz PJVYRWWVEKBKTG-OZJGGZRMSA-N 0 0 399.018 7.127 50 0 GKAARN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C(F)(F)F ZINC000000822172 526134709 /nfs/dbraw/zinc/13/47/09/526134709.db2.gz FQJWYKNPOKDMAT-UHFFFAOYSA-N 0 0 375.462 5.659 50 0 GKAARN Cc1ccc(C(=O)[C@H](Sc2nnc(-c3ccco3)o2)c2ccc(C)cc2)cc1 ZINC000005813885 526240577 /nfs/dbraw/zinc/24/05/77/526240577.db2.gz XIQLVEZSOOBRFZ-HXUWFJFHSA-N 0 0 390.464 5.663 50 0 GKAARN c1ccc(CCNc2nnc(SCc3nc4ccccc4s3)s2)cc1 ZINC000008185760 526466798 /nfs/dbraw/zinc/46/67/98/526466798.db2.gz MQOMHLCPROLIFA-UHFFFAOYSA-N 0 0 384.555 5.095 50 0 GKAARN O=C(NCc1ccccc1)c1ccccc1NCc1csc(-c2ccccc2)n1 ZINC000009378690 526738335 /nfs/dbraw/zinc/73/83/35/526738335.db2.gz XUGVZMWVCDGMDY-UHFFFAOYSA-N 0 0 399.519 5.352 50 0 GKAARN CC(C)Oc1ccc(CCC(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000409414574 528149533 /nfs/dbraw/zinc/14/95/33/528149533.db2.gz MWCWDWOMNGLMBW-QFIPXVFZSA-N 0 0 376.500 5.082 50 0 GKAARN CC(C)[C@@H](NC(=O)c1cccs1)c1ccccc1NC(=O)c1cccs1 ZINC000089801799 528579747 /nfs/dbraw/zinc/57/97/47/528579747.db2.gz CLHJRKHCYQSNGZ-GOSISDBHSA-N 0 0 384.526 5.189 50 0 GKAARN CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(SC)c2)cs1 ZINC000008761849 528700359 /nfs/dbraw/zinc/70/03/59/528700359.db2.gz DQWFPRASIVFUDJ-UHFFFAOYSA-N 0 0 384.526 5.112 50 0 GKAARN CCCn1c(SCc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000003047486 528823349 /nfs/dbraw/zinc/82/33/49/528823349.db2.gz CAFBMGXTQCXTCL-UHFFFAOYSA-N 0 0 398.575 7.228 50 0 GKAARN CC[C@@H]1CCc2sc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2C1 ZINC000006489380 529345092 /nfs/dbraw/zinc/34/50/92/529345092.db2.gz XHGGSANLUPWOSC-QGZVFWFLSA-N 0 0 391.536 6.094 50 0 GKAARN CC[C@@H](C)NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000408526021 529364860 /nfs/dbraw/zinc/36/48/60/529364860.db2.gz PAWRYBPGGJIMIP-MRXNPFEDSA-N 0 0 396.922 5.133 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1c(C)cc(C)cc1C)CO3 ZINC000002114373 535079376 /nfs/dbraw/zinc/07/93/76/535079376.db2.gz FQEFTYWAEXCLRV-UHFFFAOYSA-N 0 0 391.511 5.726 50 0 biogenic GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1C)CO3 ZINC000002159827 535079389 /nfs/dbraw/zinc/07/93/89/535079389.db2.gz DAZRTFACQLXOIH-UHFFFAOYSA-N 0 0 377.484 5.417 50 0 biogenic GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000014198619 535375037 /nfs/dbraw/zinc/37/50/37/535375037.db2.gz GLEHMFIQFOPFCH-KRWDZBQOSA-N 0 0 394.515 5.076 50 0 GKAARN COC(=O)c1ccc(N2C3=C(CCCC3)C(c3ccccc3)C3=C2CCCC3)cc1 ZINC000002279301 536729072 /nfs/dbraw/zinc/72/90/72/536729072.db2.gz TUTDGPGTQCAMBK-UHFFFAOYSA-N 0 0 399.534 6.733 50 0 GKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(C)cc2)cc1 ZINC000020529072 560093417 /nfs/dbraw/zinc/09/34/17/560093417.db2.gz RBAQUPUEENWLNV-SANMLTNESA-N 0 0 382.507 5.633 50 0 biogenic,in-vitro GKAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000001509455 560180789 /nfs/dbraw/zinc/18/07/89/560180789.db2.gz CMQAWVFVROPQLX-UHFFFAOYSA-N 0 0 398.487 5.602 50 0 in-vitro GKAARN CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C ZINC000002243726 560186697 /nfs/dbraw/zinc/18/66/97/560186697.db2.gz WOWBFOBYOAGEEA-UHFFFAOYSA-N 0 0 384.589 6.811 50 0 in-vitro GKAARN COc1c(Cl)cc(Cl)cc1CNc1ccc(NC(=O)CC(C)C)cc1 ZINC000000623920 570211018 /nfs/dbraw/zinc/21/10/18/570211018.db2.gz SGDLWVKVTFSDER-UHFFFAOYSA-N 0 0 381.303 5.599 50 0 GKAARN O=C(Nc1ncc(Cc2ccccc2)s1)C(c1ccccc1)c1ccccc1 ZINC000000625256 570211031 /nfs/dbraw/zinc/21/10/31/570211031.db2.gz LXTQXHCHHRSMGJ-UHFFFAOYSA-N 0 0 384.504 5.505 50 0 GKAARN CC[C@@H](C)Oc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738255 570211790 /nfs/dbraw/zinc/21/17/90/570211790.db2.gz YSYAEDGSODQLKL-HXUWFJFHSA-N 0 0 391.511 5.934 50 0 GKAARN CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)N2CCCCCC2)nn1-c1ccccc1 ZINC000000633042 570211997 /nfs/dbraw/zinc/21/19/97/570211997.db2.gz ZBULGPXCNMAZAN-MHECFPHRSA-N 0 0 377.532 5.063 50 0 GKAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000000633031 570212198 /nfs/dbraw/zinc/21/21/98/570212198.db2.gz MSNVLMJMJAJGMU-HNNXBMFYSA-N 0 0 377.415 5.022 50 0 GKAARN CC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000000639042 570213227 /nfs/dbraw/zinc/21/32/27/570213227.db2.gz JKHQJECPGCDPOS-UHFFFAOYSA-N 0 0 376.412 5.188 50 0 GKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000640909 570213615 /nfs/dbraw/zinc/21/36/15/570213615.db2.gz KVFSTYONXWJIJG-UHFFFAOYSA-N 0 0 395.462 6.867 50 0 GKAARN O=C(Nc1ccc(Br)cc1)Oc1ccc(Nc2ccccc2)cc1 ZINC000000641607 570213689 /nfs/dbraw/zinc/21/36/89/570213689.db2.gz FFGAUVXWQCTAIK-UHFFFAOYSA-N 0 0 383.245 5.804 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3C)nc2c1 ZINC000000652835 570214228 /nfs/dbraw/zinc/21/42/28/570214228.db2.gz WZTGQDMXRSXNNM-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN O=C(Nc1ccccc1Oc1ccccc1)c1sc2ccccc2c1Cl ZINC000000657532 570215082 /nfs/dbraw/zinc/21/50/82/570215082.db2.gz YJVMJHDKMMKYQV-UHFFFAOYSA-N 0 0 379.868 6.599 50 0 GKAARN Cc1cc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)ccc1Cl ZINC000000666514 570215371 /nfs/dbraw/zinc/21/53/71/570215371.db2.gz FFMULPLVSSHZIU-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H]3CCC1 ZINC000000667785 570215473 /nfs/dbraw/zinc/21/54/73/570215473.db2.gz BJOIHXZXSCBHCL-FQEVSTJZSA-N 0 0 399.321 5.790 50 0 GKAARN O=C(NCc1ccco1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000000673111 570216096 /nfs/dbraw/zinc/21/60/96/570216096.db2.gz VGWKCSPNHBHKMK-UHFFFAOYSA-N 0 0 397.261 5.732 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Br ZINC000000674489 570216149 /nfs/dbraw/zinc/21/61/49/570216149.db2.gz ZGDJYBIZXMMOPV-UHFFFAOYSA-N 0 0 382.257 5.802 50 0 GKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)c3ccccc3n2)cc1OC ZINC000000680063 570216892 /nfs/dbraw/zinc/21/68/92/570216892.db2.gz CZKHBVYSWSVWJG-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000680859 570216910 /nfs/dbraw/zinc/21/69/10/570216910.db2.gz DATUQEIWOFTRCR-NSHDSACASA-N 0 0 393.295 5.523 50 0 GKAARN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1Cl ZINC000000682945 570217458 /nfs/dbraw/zinc/21/74/58/570217458.db2.gz VMGQGCYJLHDQRT-INIZCTEOSA-N 0 0 377.871 5.622 50 0 GKAARN Cc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)c1 ZINC000000683227 570217502 /nfs/dbraw/zinc/21/75/02/570217502.db2.gz DDOBACMFUFECOW-UHFFFAOYSA-N 0 0 392.886 5.770 50 0 GKAARN COc1cc(C)c(/C=C2\NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1C(C)C ZINC000000683600 570217523 /nfs/dbraw/zinc/21/75/23/570217523.db2.gz CTXWJRTXYLYPMN-NDENLUEZSA-N 0 0 394.540 5.006 50 0 GKAARN COc1ccc(CCCC(=O)Nc2ccc(Br)cc2C(C)C)cc1 ZINC000000685627 570217987 /nfs/dbraw/zinc/21/79/87/570217987.db2.gz VQCZWXRQSZKSMM-UHFFFAOYSA-N 0 0 390.321 5.543 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc2c(c1)Cc1ccccc1-2)CCC3 ZINC000000688330 570218311 /nfs/dbraw/zinc/21/83/11/570218311.db2.gz VTWKOVOBHXTZLE-UHFFFAOYSA-N 0 0 382.488 5.169 50 0 GKAARN Cc1ccc([C@@H](CC(=O)Nc2cccc(C)c2C)N2Cc3ccccc3C2=O)cc1 ZINC000015721452 570218275 /nfs/dbraw/zinc/21/82/75/570218275.db2.gz NIPYYRKHIONBRS-XMMPIXPASA-N 0 0 398.506 5.338 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)CCC(=O)Nc2ccc([C@H](C)CC)cc2)cc1 ZINC000000695618 570218399 /nfs/dbraw/zinc/21/83/99/570218399.db2.gz CVZNMRXFAOXKFD-QZTJIDSGSA-N 0 0 380.532 6.071 50 0 GKAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c(C(F)(F)F)c1 ZINC000048083256 570218453 /nfs/dbraw/zinc/21/84/53/570218453.db2.gz HACDTLDDKPUWGJ-SFHVURJKSA-N 0 0 378.394 5.391 50 0 GKAARN Cc1c2ccccc2oc1-c1nnc2sc([C@H](C)Oc3ccccc3)nn21 ZINC000096194351 570219080 /nfs/dbraw/zinc/21/90/80/570219080.db2.gz YKUIQMCQGHASTL-ZDUSSCGKSA-N 0 0 376.441 5.047 50 0 GKAARN COC(=O)c1c2c(sc1NC(=O)c1cccc3ccccc31)C[C@H](C)CC2 ZINC000000710281 570219384 /nfs/dbraw/zinc/21/93/84/570219384.db2.gz QIYALHKUTNMQIN-CYBMUJFWSA-N 0 0 379.481 5.065 50 0 GKAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000000708595 570219395 /nfs/dbraw/zinc/21/93/95/570219395.db2.gz KITQCDYKGBCTSQ-UHFFFAOYSA-N 0 0 383.476 5.181 50 0 GKAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(-c2ccccc2)cc1 ZINC000000715458 570219618 /nfs/dbraw/zinc/21/96/18/570219618.db2.gz YKWPOWRBWHPBAW-UHFFFAOYSA-N 0 0 376.506 5.694 50 0 GKAARN O=C(c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304742 570219754 /nfs/dbraw/zinc/21/97/54/570219754.db2.gz GTOJOARAIGTQEE-UHFFFAOYSA-N 0 0 385.901 5.253 50 0 GKAARN O=C(Oc1ccc(Br)c2ccccc12)c1ccc(Br)o1 ZINC000000722513 570220382 /nfs/dbraw/zinc/22/03/82/570220382.db2.gz ZXNKLZLTYAGFMR-UHFFFAOYSA-N 0 0 396.034 5.177 50 0 GKAARN Cc1ccc2nc(-c3cc(NC(=O)c4cccc(F)c4)ccc3Cl)oc2c1 ZINC000000722596 570220420 /nfs/dbraw/zinc/22/04/20/570220420.db2.gz VYHGEAAOGLSYAX-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1cc2ccccc2o1 ZINC000000722712 570220454 /nfs/dbraw/zinc/22/04/54/570220454.db2.gz PZQPZFDYYZCHTJ-UHFFFAOYSA-N 0 0 388.814 5.072 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccccc1 ZINC000000725458 570220857 /nfs/dbraw/zinc/22/08/57/570220857.db2.gz YUYGOTCITHWWAQ-UHFFFAOYSA-N 0 0 393.240 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CCCCn1c2ccccc2n(CC(=O)c2ccc(-c3ccccc3)cc2)c1=N ZINC000019855197 570226163 /nfs/dbraw/zinc/22/61/63/570226163.db2.gz OESGCZPFMQWMCJ-UHFFFAOYSA-N 0 0 383.495 5.272 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 ZINC000000848319 570226413 /nfs/dbraw/zinc/22/64/13/570226413.db2.gz KSLREWWXSBJNCT-DHZHZOJOSA-N 0 0 384.888 5.048 50 0 GKAARN CC1(C)[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H]1C=C(Cl)Cl ZINC000000851335 570226527 /nfs/dbraw/zinc/22/65/27/570226527.db2.gz ZBYBTAOQJQRRNB-PELKAZGASA-N 0 0 386.628 5.889 50 0 GKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1OC ZINC000000849019 570226553 /nfs/dbraw/zinc/22/65/53/570226553.db2.gz HACZYTKGJWWYLZ-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN O=C(OCc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000000850226 570226597 /nfs/dbraw/zinc/22/65/97/570226597.db2.gz RUKWERBMIVBTCH-UHFFFAOYSA-N 0 0 381.240 5.472 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000000853554 570226794 /nfs/dbraw/zinc/22/67/94/570226794.db2.gz 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Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000048276907 570230148 /nfs/dbraw/zinc/23/01/48/570230148.db2.gz ANWKPBCOWLMIBZ-GOSISDBHSA-N 0 0 398.553 5.378 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1C(F)(F)F)c1ccccn1 ZINC000001463177 570230109 /nfs/dbraw/zinc/23/01/09/570230109.db2.gz ZCFHSKMSPKBFAE-NRFANRHFSA-N 0 0 381.401 6.092 50 0 GKAARN COc1cccc([C@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)c1 ZINC000019926953 570230172 /nfs/dbraw/zinc/23/01/72/570230172.db2.gz GAUWDFLQXJYMRA-JOCHJYFZSA-N 0 0 377.465 5.266 50 0 GKAARN CCOc1ccc(-c2c(C)sc(NC(=O)c3ccccc3)c2C(=O)OC)cc1 ZINC000000937354 570230347 /nfs/dbraw/zinc/23/03/47/570230347.db2.gz SAOQNEFWNPYVCJ-UHFFFAOYSA-N 0 0 395.480 5.161 50 0 GKAARN CCCc1cc(=O)oc2c(C)c(OCc3cc4c(cc3Cl)OCO4)ccc12 ZINC000000949223 570231235 /nfs/dbraw/zinc/23/12/35/570231235.db2.gz CKOJMUWFSHMVSB-UHFFFAOYSA-N 0 0 386.831 5.015 50 0 GKAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000011573454 570231345 /nfs/dbraw/zinc/23/13/45/570231345.db2.gz XRJXHKAZHAPEDV-UHFFFAOYSA-N 0 0 395.503 5.195 50 0 GKAARN O=C(/C=C\c1c(Cl)nc2sccn12)Nc1ccc(SC(F)F)cc1 ZINC000035079945 570231443 /nfs/dbraw/zinc/23/14/43/570231443.db2.gz FNDNJGUYLGQOTA-WAYWQWQTSA-N 0 0 385.848 5.016 50 0 GKAARN Cc1cc(Br)cc(C)c1OC(=O)COc1ccccc1C(C)C ZINC000000958615 570231789 /nfs/dbraw/zinc/23/17/89/570231789.db2.gz CGCCSEGKRVKSJG-UHFFFAOYSA-N 0 0 377.278 5.174 50 0 GKAARN COC(=O)c1cccc(Oc2ncnc3sc(C)c(-c4ccc(F)cc4)c32)c1 ZINC000001465329 570232074 /nfs/dbraw/zinc/23/20/74/570232074.db2.gz HNSKNZWXJYKOCG-UHFFFAOYSA-N 0 0 394.427 5.385 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3cccc4cccnc43)cc12 ZINC000000958912 570232016 /nfs/dbraw/zinc/23/20/16/570232016.db2.gz RMYJGDLBCZZPBK-UHFFFAOYSA-N 0 0 385.448 5.163 50 0 GKAARN CCc1cccc2c(SCC(=O)Nc3ccccc3)nc(-c3ccccc3)nc12 ZINC000000976836 570232579 /nfs/dbraw/zinc/23/25/79/570232579.db2.gz HLTXEVYMQVCRBI-UHFFFAOYSA-N 0 0 399.519 5.590 50 0 GKAARN Cc1cccc(-n2c(-c3ccco3)nnc2-c2ccc(-c3ccccc3)cc2)c1 ZINC000000973122 570232613 /nfs/dbraw/zinc/23/26/13/570232613.db2.gz LVFJCUXGJWQSPR-UHFFFAOYSA-N 0 0 377.447 6.170 50 0 GKAARN CCCCc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 ZINC000051364436 570232635 /nfs/dbraw/zinc/23/26/35/570232635.db2.gz BXOQOJBVCQLWRH-NRFANRHFSA-N 0 0 386.495 5.188 50 0 GKAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)Nc1cccc2ccccc21 ZINC000000985517 570233268 /nfs/dbraw/zinc/23/32/68/570233268.db2.gz ROQOJAGXWNYGKV-UHFFFAOYSA-N 0 0 381.435 5.736 50 0 GKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4)ccc3o2)c(C)c1 ZINC000000989764 570233580 /nfs/dbraw/zinc/23/35/80/570233580.db2.gz KVMUYHZVHNIQKG-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 ZINC000000989744 570233644 /nfs/dbraw/zinc/23/36/44/570233644.db2.gz BZIVQXSIEFZBAA-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN CC(C)(C)C(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000004816664 570233749 /nfs/dbraw/zinc/23/37/49/570233749.db2.gz JNGBNNTUKVCWKF-RBUKOAKNSA-N 0 0 394.906 5.045 50 0 GKAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc(F)cc1 ZINC000000992723 570233940 /nfs/dbraw/zinc/23/39/40/570233940.db2.gz MCBLHLZVHPDMOV-UHFFFAOYSA-N 0 0 391.423 5.142 50 0 aggregator GKAARN Cc1c(Cl)cccc1N1C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2C1=O ZINC000000992779 570234064 /nfs/dbraw/zinc/23/40/64/570234064.db2.gz UISQLGUDSPWPAH-UHFFFAOYSA-N 0 0 398.245 5.895 50 0 GKAARN CC(C)(C)C(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000004816662 570234104 /nfs/dbraw/zinc/23/41/04/570234104.db2.gz JNGBNNTUKVCWKF-RTBURBONSA-N 0 0 394.906 5.045 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000043170990 570234273 /nfs/dbraw/zinc/23/42/73/570234273.db2.gz QDYSRQHSCVRMBX-UHFFFAOYSA-N 0 0 385.483 5.175 50 0 GKAARN Cc1cc(C)cc(SCc2csc(Cc3ccc(F)cc3Cl)n2)c1 ZINC000023309224 570234328 /nfs/dbraw/zinc/23/43/28/570234328.db2.gz DHBIUVQMMHLEID-UHFFFAOYSA-N 0 0 377.937 6.436 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000000995734 570234309 /nfs/dbraw/zinc/23/43/09/570234309.db2.gz ITPBCEUXGJCADE-UHFFFAOYSA-N 0 0 396.446 5.445 50 0 GKAARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1c(F)cccc1F ZINC000063612483 570234411 /nfs/dbraw/zinc/23/44/11/570234411.db2.gz HOESDOUTBMLJOE-UHFFFAOYSA-N 0 0 376.362 5.558 50 0 GKAARN COc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000000995682 570234333 /nfs/dbraw/zinc/23/43/33/570234333.db2.gz RPJBUWPJAJOURJ-UHFFFAOYSA-N 0 0 388.854 5.816 50 0 GKAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000000996984 570234363 /nfs/dbraw/zinc/23/43/63/570234363.db2.gz JUJQTSPLSWAJTQ-UHFFFAOYSA-N 0 0 389.076 5.082 50 0 GKAARN CCSc1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 ZINC000000998429 570234473 /nfs/dbraw/zinc/23/44/73/570234473.db2.gz JRWRVANBHWMNBS-OAHLLOKOSA-N 0 0 387.555 5.122 50 0 GKAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21 ZINC000000995315 570234533 /nfs/dbraw/zinc/23/45/33/570234533.db2.gz DEVAHVKGYHROIK-UHFFFAOYSA-N 0 0 396.446 5.249 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000001006450 570234735 /nfs/dbraw/zinc/23/47/35/570234735.db2.gz BWTVZHZAHIXBLB-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN O=C(c1ccc(Cl)cc1)C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000011612330 570234778 /nfs/dbraw/zinc/23/47/78/570234778.db2.gz ZFWUOWZRVUAANX-UHFFFAOYSA-N 0 0 384.866 6.317 50 0 GKAARN Cc1c2c(nn1-c1ccccc1)c(SCc1ccc(Cl)cc1)nnc2C ZINC000001016770 570235274 /nfs/dbraw/zinc/23/52/74/570235274.db2.gz YGVSQXVICHQWMV-UHFFFAOYSA-N 0 0 380.904 5.378 50 0 GKAARN Clc1ccc(Cc2nc(CSCc3cccs3)cs2)cc1Cl ZINC000023308869 570235308 /nfs/dbraw/zinc/23/53/08/570235308.db2.gz YPXSNQKAYDKYJR-UHFFFAOYSA-N 0 0 386.394 6.536 50 0 GKAARN Fc1cccc(Cl)c1CSc1nccn1-c1cccc(Cl)c1Cl ZINC000001023507 570235420 /nfs/dbraw/zinc/23/54/20/570235420.db2.gz IZMOGQMYCWUTJD-UHFFFAOYSA-N 0 0 387.694 6.264 50 0 GKAARN CC(C)=CC(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F ZINC000001024931 570235426 /nfs/dbraw/zinc/23/54/26/570235426.db2.gz KDNQOLJQQITCOI-UHFFFAOYSA-N 0 0 387.760 6.195 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364518 570235650 /nfs/dbraw/zinc/23/56/50/570235650.db2.gz CXOACTTXRYRHOC-OAHLLOKOSA-N 0 0 399.277 5.152 50 0 GKAARN CCCN(CCC)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000023310604 570235884 /nfs/dbraw/zinc/23/58/84/570235884.db2.gz GUOXUQKYDLRXOG-UHFFFAOYSA-N 0 0 379.525 6.470 50 0 GKAARN CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000001033744 570236159 /nfs/dbraw/zinc/23/61/59/570236159.db2.gz LGJYDLQNPITECQ-NSHDSACASA-N 0 0 392.908 5.347 50 0 GKAARN CCCOc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1 ZINC000048325320 570236240 /nfs/dbraw/zinc/23/62/40/570236240.db2.gz YLFOCLLBTXIDMQ-UHFFFAOYSA-N 0 0 390.892 5.714 50 0 GKAARN Cc1c(NC(=O)Nc2ccccc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000001032024 570236307 /nfs/dbraw/zinc/23/63/07/570236307.db2.gz ANRIIXBYWCEDBK-UHFFFAOYSA-N 0 0 383.864 5.064 50 0 GKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1Br ZINC000048326233 570236442 /nfs/dbraw/zinc/23/64/42/570236442.db2.gz PAELTCWLJNRLSA-UHFFFAOYSA-N 0 0 377.263 5.035 50 0 GKAARN CC(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)s3)=NN21 ZINC000019928168 570236516 /nfs/dbraw/zinc/23/65/16/570236516.db2.gz XDJFZFOXJFPCKH-DYVFJYSZSA-N 0 0 377.307 5.036 50 0 GKAARN CCNc1nc(SCC(=O)c2ccccc2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000001034713 570236511 /nfs/dbraw/zinc/23/65/11/570236511.db2.gz RALRDTOYLSPPPU-CYBMUJFWSA-N 0 0 397.569 5.223 50 0 GKAARN Cc1cccc(C)c1NC(=O)CSC(=O)c1sc2ccccc2c1Cl ZINC000001036288 570236980 /nfs/dbraw/zinc/23/69/80/570236980.db2.gz DWPJIYMYPPIBDP-UHFFFAOYSA-N 0 0 389.929 5.684 50 0 GKAARN O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000001040730 570237122 /nfs/dbraw/zinc/23/71/22/570237122.db2.gz MQJOOCROQBWZTA-UHFFFAOYSA-N 0 0 399.488 6.094 50 0 GKAARN Cc1oc2c(c1C(=O)Oc1ccc(C(C)(C)C)cc1)c(F)c(F)c(F)c2F ZINC000001039533 570237147 /nfs/dbraw/zinc/23/71/47/570237147.db2.gz KCFLTRTWFRXZDT-UHFFFAOYSA-N 0 0 380.337 5.814 50 0 GKAARN Fc1cc(I)ccc1Nc1ccnc2cc(Cl)ccc21 ZINC000001040361 570237160 /nfs/dbraw/zinc/23/71/60/570237160.db2.gz SGYXYQQGWNUEIG-UHFFFAOYSA-N 0 0 398.606 5.376 50 0 GKAARN O=C1C[C@H](c2ccc(F)cc2)SC(N(c2ccccc2)c2ccccc2)=N1 ZINC000001473125 570237478 /nfs/dbraw/zinc/23/74/78/570237478.db2.gz YCFIZWUOBLXTMJ-HXUWFJFHSA-N 0 0 376.456 5.725 50 0 GKAARN COC(=O)c1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000001041394 570237512 /nfs/dbraw/zinc/23/75/12/570237512.db2.gz PAWPLFBQUFBSFG-QFIPXVFZSA-N 0 0 394.467 5.719 50 0 GKAARN Cc1cc(C)c2c(N)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)sc2n1 ZINC000001042438 570237578 /nfs/dbraw/zinc/23/75/78/570237578.db2.gz UCBKUCPVFCLLHW-UHFFFAOYSA-N 0 0 399.825 5.420 50 0 GKAARN CC(C)CC[C@@H](C)NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000023312726 570237889 /nfs/dbraw/zinc/23/78/89/570237889.db2.gz XJEUYSHIDARTRX-QGZVFWFLSA-N 0 0 395.934 5.747 50 0 GKAARN CCSc1nccc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)cc1Cl ZINC000001042995 570237896 /nfs/dbraw/zinc/23/78/96/570237896.db2.gz ASMDPRANJATVBQ-UHFFFAOYSA-N 0 0 395.233 5.772 50 0 GKAARN C[C@@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccc(Cl)cc2)S1 ZINC000001044134 570237899 /nfs/dbraw/zinc/23/78/99/570237899.db2.gz UIIRFLAOIAATMT-LLVKDONJSA-N 0 0 380.300 5.523 50 0 GKAARN CCSc1cc(C(F)(F)F)c(C(=O)N(CC)c2ccc(Cl)cc2)cn1 ZINC000001042963 570237928 /nfs/dbraw/zinc/23/79/28/570237928.db2.gz ZZPDYSHYIJXXMS-UHFFFAOYSA-N 0 0 388.842 5.533 50 0 GKAARN FC(F)(F)c1ccc(-c2noc(CNc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000048326561 570238047 /nfs/dbraw/zinc/23/80/47/570238047.db2.gz WCHNYAQWPHLMPD-UHFFFAOYSA-N 0 0 387.283 5.386 50 0 GKAARN Cc1noc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)Nc1ccc(C)cc1 ZINC000001047521 570238266 /nfs/dbraw/zinc/23/82/66/570238266.db2.gz HTNHKIJFWLGGGG-UHFFFAOYSA-N 0 0 375.350 5.621 50 0 GKAARN Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1C ZINC000011617414 570238275 /nfs/dbraw/zinc/23/82/75/570238275.db2.gz JVMGOCJDNVMONH-UHFFFAOYSA-N 0 0 378.284 5.381 50 0 GKAARN O=C(Nc1cccc(OCc2ccccn2)c1)N1CCC[C@@H]1c1ccsc1 ZINC000048326737 570238468 /nfs/dbraw/zinc/23/84/68/570238468.db2.gz 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/nfs/dbraw/zinc/23/95/62/570239562.db2.gz BCDLCNCAEWYMNQ-UHFFFAOYSA-N 0 0 391.539 5.530 50 0 GKAARN CSc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000006083828 570239489 /nfs/dbraw/zinc/23/94/89/570239489.db2.gz WKRWZXADRUUTQI-UHFFFAOYSA-N 0 0 379.481 5.005 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000023313291 570239681 /nfs/dbraw/zinc/23/96/81/570239681.db2.gz DLMFVDPLFMIZAB-UHFFFAOYSA-N 0 0 387.527 5.561 50 0 GKAARN CCCC(CCC)NC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023313294 570239713 /nfs/dbraw/zinc/23/97/13/570239713.db2.gz XXUPDKXJXFTTTJ-UHFFFAOYSA-N 0 0 397.469 5.516 50 0 GKAARN CC(C)CCOc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001473186 570239880 /nfs/dbraw/zinc/23/98/80/570239880.db2.gz RCMCNNICTZVUEE-UHFFFAOYSA-N 0 0 381.394 5.148 50 0 GKAARN O=C(CSc1nc2ccccc2s1)N(Cc1ccco1)C1=CCCCC1 ZINC000006086396 570240673 /nfs/dbraw/zinc/24/06/73/570240673.db2.gz DOJVZBGBNPWHFB-UHFFFAOYSA-N 0 0 384.526 5.468 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3cccs3)c3c(C)noc3n2)s1 ZINC000048344619 570240804 /nfs/dbraw/zinc/24/08/04/570240804.db2.gz NSVXNHATJFHVRI-ZDUSSCGKSA-N 0 0 397.525 5.463 50 0 GKAARN COc1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1OC ZINC000005196736 570240893 /nfs/dbraw/zinc/24/08/93/570240893.db2.gz GDWXLDNYQGFGCE-YADHBBJMSA-N 0 0 381.859 5.588 50 0 GKAARN CC(C)(C)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1 ZINC000023315168 570241032 /nfs/dbraw/zinc/24/10/32/570241032.db2.gz OEUOIYIEIHXBGG-UHFFFAOYSA-N 0 0 388.298 5.729 50 0 GKAARN Cc1cc(NC(=O)[C@@H](SC2=Nc3ccccc3CS2)c2ccccc2)no1 ZINC000053225166 570241039 /nfs/dbraw/zinc/24/10/39/570241039.db2.gz IMATYONETGZORE-SFHVURJKSA-N 0 0 395.509 5.331 50 0 GKAARN COc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc1OC ZINC000005196721 570241044 /nfs/dbraw/zinc/24/10/44/570241044.db2.gz GDWXLDNYQGFGCE-VXKWHMMOSA-N 0 0 381.859 5.588 50 0 GKAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)c1 ZINC000001076358 570241105 /nfs/dbraw/zinc/24/11/05/570241105.db2.gz NVXVJEVWLNVOLE-UHFFFAOYSA-N 0 0 399.947 6.169 50 0 GKAARN COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000001083458 570241345 /nfs/dbraw/zinc/24/13/45/570241345.db2.gz CQTSVMKCFPZCRF-UHFFFAOYSA-N 0 0 392.238 5.426 50 0 GKAARN O=C(NCCc1ccc(F)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000023316768 570241515 /nfs/dbraw/zinc/24/15/15/570241515.db2.gz YYNAFSXNLRONOR-UHFFFAOYSA-N 0 0 393.405 5.546 50 0 GKAARN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cs1 ZINC000001085843 570241608 /nfs/dbraw/zinc/24/16/08/570241608.db2.gz ZNQLSSWAIZTEMH-UHFFFAOYSA-N 0 0 380.494 5.073 50 0 GKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1c(C)cccc1Cl ZINC000023316740 570241714 /nfs/dbraw/zinc/24/17/14/570241714.db2.gz OPRTUKMDAOCBEQ-UHFFFAOYSA-N 0 0 396.918 5.839 50 0 GKAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000020120552 570241713 /nfs/dbraw/zinc/24/17/13/570241713.db2.gz CJSOQKOMIJWCKQ-UHFFFAOYSA-N 0 0 380.416 5.199 50 0 GKAARN Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000001104433 570241991 /nfs/dbraw/zinc/24/19/91/570241991.db2.gz BIVVIDRZCHOYCU-UHFFFAOYSA-N 0 0 380.469 5.033 50 0 GKAARN S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000001110355 570242249 /nfs/dbraw/zinc/24/22/49/570242249.db2.gz JYXFAUMGYKXNII-UHFFFAOYSA-N 0 0 389.307 6.595 50 0 GKAARN O=C(/C=C\c1cccs1)Nc1cccc(NC(=O)/C=C\c2cccs2)c1 ZINC000006093584 570242578 /nfs/dbraw/zinc/24/25/78/570242578.db2.gz ODPIMKJIKXXFIG-WGEIWTTOSA-N 0 0 380.494 5.113 50 0 GKAARN CC(C)c1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 ZINC000006098472 570243109 /nfs/dbraw/zinc/24/31/09/570243109.db2.gz SCLIDYPHJSLWTE-UHFFFAOYSA-N 0 0 384.574 5.544 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000001115356 570243150 /nfs/dbraw/zinc/24/31/50/570243150.db2.gz RAFHSRSMDZVATB-CCEZHUSRSA-N 0 0 388.467 5.309 50 0 GKAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C(=O)OC)C1 ZINC000001114878 570243172 /nfs/dbraw/zinc/24/31/72/570243172.db2.gz ZUHPVINPHMQNKH-ZDUSSCGKSA-N 0 0 389.517 5.230 50 0 GKAARN CCOc1cc(C(=O)Nc2ccccc2C(C)(C)C)cc(OCC)c1OCC ZINC000001120234 570243453 /nfs/dbraw/zinc/24/34/53/570243453.db2.gz SQMKESUNDVMBDC-UHFFFAOYSA-N 0 0 385.504 5.433 50 0 GKAARN Cc1c(C(=O)N(C2CC2)C2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000048355124 570243560 /nfs/dbraw/zinc/24/35/60/570243560.db2.gz NSLWOYIQVGGDRQ-UHFFFAOYSA-N 0 0 391.437 5.137 50 0 GKAARN Cc1cccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000015777691 570243595 /nfs/dbraw/zinc/24/35/95/570243595.db2.gz ASBLBLHJNCNQON-UHFFFAOYSA-N 0 0 376.456 5.098 50 0 GKAARN O=c1oc2cc3occ(-c4ccc(Br)cc4)c3cc2c2c1CCC2 ZINC000001123369 570243749 /nfs/dbraw/zinc/24/37/49/570243749.db2.gz YKDNAISXUYUVDE-UHFFFAOYSA-N 0 0 381.225 5.457 50 0 GKAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000001123468 570243856 /nfs/dbraw/zinc/24/38/56/570243856.db2.gz XKSSUCMHLKWWLN-UHFFFAOYSA-N 0 0 387.464 5.174 50 0 GKAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000020149869 570244018 /nfs/dbraw/zinc/24/40/18/570244018.db2.gz QJMGUBJPWJYLBQ-DNQXCXABSA-N 0 0 386.470 5.778 50 0 GKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Br)c1 ZINC000001125109 570244150 /nfs/dbraw/zinc/24/41/50/570244150.db2.gz IFCSTWJHPHWYIO-CYBMUJFWSA-N 0 0 376.294 5.153 50 0 GKAARN Fc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3c(F)ccc(F)c3F)C2)c1 ZINC000020149414 570244281 /nfs/dbraw/zinc/24/42/81/570244281.db2.gz HDEBCFACFHJUJF-CQSZACIVSA-N 0 0 389.396 5.013 50 0 GKAARN Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)no1 ZINC000001125760 570244587 /nfs/dbraw/zinc/24/45/87/570244587.db2.gz ROTDREYAOQJPBX-UHFFFAOYSA-N 0 0 391.452 5.036 50 0 GKAARN CCC(=O)N(c1nc(-c2ccc(C)cc2)c(CC)s1)c1ccc(Cl)cc1 ZINC000001127728 570244891 /nfs/dbraw/zinc/24/48/91/570244891.db2.gz FOBHKNNHULEYQB-UHFFFAOYSA-N 0 0 384.932 6.409 50 0 GKAARN O=C(Nc1ccc(Br)cc1)c1ccc(COc2ccccc2)cc1 ZINC000001127653 570244895 /nfs/dbraw/zinc/24/48/95/570244895.db2.gz SAGFQUJAQJLZMZ-UHFFFAOYSA-N 0 0 382.257 5.280 50 0 GKAARN Cc1ccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)cn2c1 ZINC000006105944 570244896 /nfs/dbraw/zinc/24/48/96/570244896.db2.gz JCMIETIRFINLFK-LBPRGKRZSA-N 0 0 396.541 5.171 50 0 GKAARN CCc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(CC)cc2)cc1 ZINC000085590984 570244916 /nfs/dbraw/zinc/24/49/16/570244916.db2.gz DAKYEMLAPUTSHH-UHFFFAOYSA-N 0 0 383.495 6.604 50 0 GKAARN CC(C)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000020158384 570245150 /nfs/dbraw/zinc/24/51/50/570245150.db2.gz YLMPJULAPSMVDC-UHFFFAOYSA-N 0 0 388.492 6.045 50 0 GKAARN O=C(Cc1cccc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000001131519 570245932 /nfs/dbraw/zinc/24/59/32/570245932.db2.gz INGOLPLMGHSHNI-UHFFFAOYSA-N 0 0 394.430 5.535 50 0 GKAARN O=C(NC(=S)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 ZINC000001133302 570246306 /nfs/dbraw/zinc/24/63/06/570246306.db2.gz ILBRMURJCJHUJA-UHFFFAOYSA-N 0 0 382.872 5.259 50 0 GKAARN CC[C@@H](Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1ccccc1 ZINC000001133237 570246358 /nfs/dbraw/zinc/24/63/58/570246358.db2.gz PESLKHPSDDFENA-OAQYLSRUSA-N 0 0 393.870 5.633 50 0 GKAARN O=C(c1ccc(CSC(c2ccccc2)c2ccccc2)cc1)N1CCCC1 ZINC000048366713 570246393 /nfs/dbraw/zinc/24/63/93/570246393.db2.gz BJETUZXIHOOXMK-UHFFFAOYSA-N 0 0 387.548 5.945 50 0 GKAARN CSc1ccc(Cl)c(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c1 ZINC000072297260 570247181 /nfs/dbraw/zinc/24/71/81/570247181.db2.gz CKGGAMUHURGYGP-ZDUSSCGKSA-N 0 0 394.993 5.662 50 0 GKAARN O=C1/C(=C/c2ccccc2)CC[C@]12C[C@@H]1CCCC[C@]1(O)O[C@H]2c1ccccc1 ZINC000006110632 570247590 /nfs/dbraw/zinc/24/75/90/570247590.db2.gz NKLXMIJMKFCEFM-VPWULJGWSA-N 0 0 388.507 5.460 50 0 biogenic GKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 ZINC000001140450 570247802 /nfs/dbraw/zinc/24/78/02/570247802.db2.gz WCGGTNZNTPHBHA-UHFFFAOYSA-N 0 0 381.859 6.172 50 0 GKAARN Cc1nc2c3cc4c(nc3sc2c(NCc2ccccc2)n1)CC(C)(C)OC4 ZINC000001142850 570247823 /nfs/dbraw/zinc/24/78/23/570247823.db2.gz LLNMJFRPNLOECQ-UHFFFAOYSA-N 0 0 390.512 5.011 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000001142338 570247854 /nfs/dbraw/zinc/24/78/54/570247854.db2.gz QDXZXPVGIWQPHO-UHFFFAOYSA-N 0 0 399.472 5.276 50 0 GKAARN CCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 ZINC000001143317 570248063 /nfs/dbraw/zinc/24/80/63/570248063.db2.gz ZNXHQAHIHJTJLI-UHFFFAOYSA-N 0 0 386.451 5.763 50 0 GKAARN C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000001143512 570248192 /nfs/dbraw/zinc/24/81/92/570248192.db2.gz BXNHJKBTBXFEHP-OAHLLOKOSA-N 0 0 388.305 5.043 50 0 GKAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1C ZINC000001144251 570248230 /nfs/dbraw/zinc/24/82/30/570248230.db2.gz YWFCRKOKGILIQP-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2SC2CCCC2)c1 ZINC000048373899 570248719 /nfs/dbraw/zinc/24/87/19/570248719.db2.gz IXSBSJAZHHRTAG-OAHLLOKOSA-N 0 0 397.544 5.562 50 0 GKAARN CC(=O)N(c1nc(CSc2ncnc3sccc32)cs1)c1ccccc1 ZINC000006115276 570248851 /nfs/dbraw/zinc/24/88/51/570248851.db2.gz WTJXMPUZHDTIAR-UHFFFAOYSA-N 0 0 398.538 5.125 50 0 GKAARN Cc1cc(=O)oc2cc(OCc3ccccc3Br)c(Cl)cc12 ZINC000001153161 570249473 /nfs/dbraw/zinc/24/94/73/570249473.db2.gz MGEYAJFJSZJBLK-UHFFFAOYSA-N 0 0 379.637 5.096 50 0 GKAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(C)c1 ZINC000001155288 570249863 /nfs/dbraw/zinc/24/98/63/570249863.db2.gz FDGXDVJZULVDHI-UHFFFAOYSA-N 0 0 390.414 5.268 50 0 GKAARN Cc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(C)c1 ZINC000001154761 570249980 /nfs/dbraw/zinc/24/99/80/570249980.db2.gz DHCDHVWOVBTPCC-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccc(C)cc4)n3)cc2)cc1 ZINC000085649630 570250043 /nfs/dbraw/zinc/25/00/43/570250043.db2.gz AWCNOKHBPNHZGR-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000001156258 570250305 /nfs/dbraw/zinc/25/03/05/570250305.db2.gz GJCRUBRNFCRLET-UHFFFAOYSA-N 0 0 375.906 5.045 50 0 GKAARN Cc1ccc(-c2noc(C3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)n2)cc1 ZINC000001502798 570250386 /nfs/dbraw/zinc/25/03/86/570250386.db2.gz RXOTUEHZLCUATH-UHFFFAOYSA-N 0 0 390.487 5.073 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 ZINC000001157757 570250474 /nfs/dbraw/zinc/25/04/74/570250474.db2.gz VENXURYNBWAKJZ-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1Cl ZINC000001158881 570251253 /nfs/dbraw/zinc/25/12/53/570251253.db2.gz BHLDOSVORKPRAS-UHFFFAOYSA-N 0 0 378.177 5.663 50 0 GKAARN CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000001158788 570251395 /nfs/dbraw/zinc/25/13/95/570251395.db2.gz RRVKJPQBZJNKSB-AWEZNQCLSA-N 0 0 391.298 5.108 50 0 GKAARN COc1ccc(C2(C(=O)Nc3ccc(Cl)c(Cl)c3)CCCC2)cc1OC ZINC000001160975 570251820 /nfs/dbraw/zinc/25/18/20/570251820.db2.gz CVJAMHDSHDCOPX-UHFFFAOYSA-N 0 0 394.298 5.461 50 0 GKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Cl)cc(Cl)c1 ZINC000001505413 570252094 /nfs/dbraw/zinc/25/20/94/570252094.db2.gz KYJRLLTXXRBHRF-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000032942886 570252290 /nfs/dbraw/zinc/25/22/90/570252290.db2.gz BNUSJLMMFAIXNH-GFCCVEGCSA-N 0 0 376.403 5.373 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000001163647 570252352 /nfs/dbraw/zinc/25/23/52/570252352.db2.gz ULBZPIABQYSTJP-UHFFFAOYSA-N 0 0 376.481 5.190 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Oc3ccccc3OC)c3ccccc3n2)cc1 ZINC000001164199 570252407 /nfs/dbraw/zinc/25/24/07/570252407.db2.gz AWMFKDCHHQNWDT-UHFFFAOYSA-N 0 0 399.446 5.528 50 0 GKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccccc2)cc1 ZINC000001165249 570252716 /nfs/dbraw/zinc/25/27/16/570252716.db2.gz FTLXEHLCVZHOBB-LJQANCHMSA-N 0 0 399.240 5.132 50 0 GKAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Oc3ccccc3)cc1)CCC2 ZINC000001165702 570252733 /nfs/dbraw/zinc/25/27/33/570252733.db2.gz YDEKOIIEYSQHHI-UHFFFAOYSA-N 0 0 392.480 5.240 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 ZINC000001167451 570252759 /nfs/dbraw/zinc/25/27/59/570252759.db2.gz BNWOGZVHVXLKNA-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Nc2ccccc2)C2CCCCC2)c1C ZINC000085712259 570253079 /nfs/dbraw/zinc/25/30/79/570253079.db2.gz RIWSRHNGUKXODL-UHFFFAOYSA-N 0 0 397.519 5.175 50 0 GKAARN Cc1c2ccccc2sc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C ZINC000001168479 570252995 /nfs/dbraw/zinc/25/29/95/570252995.db2.gz DAVXMGUSZUUGMM-UHFFFAOYSA-N 0 0 398.487 6.579 50 0 GKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000001170133 570253065 /nfs/dbraw/zinc/25/30/65/570253065.db2.gz DAWLDYPNTHUBCL-UHFFFAOYSA-N 0 0 387.719 5.390 50 0 GKAARN COc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2C)cc1OC ZINC000001170089 570253106 /nfs/dbraw/zinc/25/31/06/570253106.db2.gz HPMATEBIICTIOS-UHFFFAOYSA-N 0 0 388.876 5.041 50 0 GKAARN CCNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001172515 570253331 /nfs/dbraw/zinc/25/33/31/570253331.db2.gz WIMOFXBGTPLINM-HNNXBMFYSA-N 0 0 398.572 5.210 50 0 GKAARN O=Cc1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000001171580 570253398 /nfs/dbraw/zinc/25/33/98/570253398.db2.gz FOCVCZXCEBFAPV-UHFFFAOYSA-N 0 0 375.649 5.647 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 ZINC000001172633 570253401 /nfs/dbraw/zinc/25/34/01/570253401.db2.gz YMKLZANWSXCKIO-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN CO[C@@H](C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccccc1 ZINC000001174511 570253638 /nfs/dbraw/zinc/25/36/38/570253638.db2.gz ITOVYDZBXIMYKK-OAQYLSRUSA-N 0 0 388.492 5.598 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000001173036 570253732 /nfs/dbraw/zinc/25/37/32/570253732.db2.gz ZLMRWFLZTHQCDX-UHFFFAOYSA-N 0 0 383.900 5.893 50 0 GKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(C)c(C)c4)sc3n2)cc1 ZINC000015786534 570253927 /nfs/dbraw/zinc/25/39/27/570253927.db2.gz BIABXDATBVRXEL-UHFFFAOYSA-N 0 0 391.496 5.249 50 0 GKAARN COc1ccc(CSc2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000002390716 570254257 /nfs/dbraw/zinc/25/42/57/570254257.db2.gz AIJOHVMJEJGVQY-UHFFFAOYSA-N 0 0 394.974 5.785 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2Cl)cc1 ZINC000002506960 570254328 /nfs/dbraw/zinc/25/43/28/570254328.db2.gz PCDOWEXUVYTKFJ-UHFFFAOYSA-N 0 0 392.911 5.640 50 0 GKAARN COc1cccc(-c2nnc(NC(=O)Nc3ccc(C(C)(C)C)cc3)s2)c1 ZINC000001179331 570254626 /nfs/dbraw/zinc/25/46/26/570254626.db2.gz DFCFRGZBYGLWMB-UHFFFAOYSA-N 0 0 382.489 5.155 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(SCc3ccccc3C)s2)cc1C ZINC000001179369 570254736 /nfs/dbraw/zinc/25/47/36/570254736.db2.gz URZWEOZCTMXGPY-UHFFFAOYSA-N 0 0 384.530 5.400 50 0 GKAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 ZINC000001179646 570254857 /nfs/dbraw/zinc/25/48/57/570254857.db2.gz OTQXNMUCGUWDHW-UHFFFAOYSA-N 0 0 397.327 5.123 50 0 GKAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000001178757 570254865 /nfs/dbraw/zinc/25/48/65/570254865.db2.gz ZNKIZTIUOHXQBK-ZDUSSCGKSA-N 0 0 376.294 5.289 50 0 GKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1Cl ZINC000001180463 570255102 /nfs/dbraw/zinc/25/51/02/570255102.db2.gz HABCGCGDRAOWOE-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN CC(=O)N(C)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000001181633 570255446 /nfs/dbraw/zinc/25/54/46/570255446.db2.gz YOLDJMVPGQGDDZ-QFIPXVFZSA-N 0 0 390.508 5.141 50 0 GKAARN CCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O ZINC000001181749 570255484 /nfs/dbraw/zinc/25/54/84/570255484.db2.gz ZGFFDBCJBJQWJZ-PDGQHHTCSA-N 0 0 387.888 5.365 50 0 GKAARN COc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000001181359 570255515 /nfs/dbraw/zinc/25/55/15/570255515.db2.gz CNEBEXDOMZOOHM-UHFFFAOYSA-N 0 0 388.492 5.462 50 0 GKAARN CCOc1ccc(-c2cc3c(SCc4ccc(OC)cc4)nccn3n2)cc1 ZINC000048990942 570255568 /nfs/dbraw/zinc/25/55/68/570255568.db2.gz BXVDCMINRHZWDL-UHFFFAOYSA-N 0 0 391.496 5.096 50 0 GKAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000001182732 570255900 /nfs/dbraw/zinc/25/59/00/570255900.db2.gz QHVXVCIRPOGPPW-VKUYVZBCSA-N 0 0 388.920 5.086 50 0 GKAARN CCOC(=O)[C@H](Cc1cccc(Cl)c1Cl)Sc1nc2ccccc2[nH]1 ZINC000001183649 570256160 /nfs/dbraw/zinc/25/61/60/570256160.db2.gz ARADTKCLUDHUFK-HNNXBMFYSA-N 0 0 395.311 5.136 50 0 GKAARN CCOC(=O)[C@@H](Cc1cccc(Cl)c1Cl)Sc1nc2ccccc2[nH]1 ZINC000001183648 570256203 /nfs/dbraw/zinc/25/62/03/570256203.db2.gz ARADTKCLUDHUFK-OAHLLOKOSA-N 0 0 395.311 5.136 50 0 GKAARN CC(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 ZINC000001184747 570256226 /nfs/dbraw/zinc/25/62/26/570256226.db2.gz TWNBUHSIZKZYAN-UHFFFAOYSA-N 0 0 396.855 5.516 50 0 GKAARN Cc1cc(I)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000001185577 570256543 /nfs/dbraw/zinc/25/65/43/570256543.db2.gz LHPRASMHFQOUCH-UHFFFAOYSA-N 0 0 387.220 5.005 50 0 GKAARN CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Cl)cc1 ZINC000001186653 570256558 /nfs/dbraw/zinc/25/65/58/570256558.db2.gz QKXDDMKVQOHEFF-UHFFFAOYSA-N 0 0 386.904 5.677 50 0 GKAARN CN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000001186815 570256574 /nfs/dbraw/zinc/25/65/74/570256574.db2.gz LKIHXFZPUGYLNN-SXGWCWSVSA-N 0 0 394.279 5.239 50 0 GKAARN CCOc1ccc(NC(=O)[C@@H]2CC2(c2ccccc2C)c2ccccc2C)cc1 ZINC000001186919 570256607 /nfs/dbraw/zinc/25/66/07/570256607.db2.gz ORCKLCYORFJRSS-DEOSSOPVSA-N 0 0 385.507 5.647 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(Br)cc1 ZINC000001192938 570256934 /nfs/dbraw/zinc/25/69/34/570256934.db2.gz QGGXNWOMISOVGK-UHFFFAOYSA-N 0 0 392.636 5.285 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2cccc(Cl)c2)n1 ZINC000049005226 570257078 /nfs/dbraw/zinc/25/70/78/570257078.db2.gz UEPRMPJCXJWZTF-HNNXBMFYSA-N 0 0 394.906 5.350 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2ccc(C)c(F)c2)n1 ZINC000049005368 570257114 /nfs/dbraw/zinc/25/71/14/570257114.db2.gz HGQYQRMYEPGFRN-AWEZNQCLSA-N 0 0 392.478 5.001 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(Cl)cc2)n1 ZINC000049005422 570257224 /nfs/dbraw/zinc/25/72/24/570257224.db2.gz NJYZBHHGWDJQNS-UHFFFAOYSA-N 0 0 394.906 5.207 50 0 GKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1 ZINC000049005055 570257268 /nfs/dbraw/zinc/25/72/68/570257268.db2.gz ALAFIZKBFQWPMI-IBGZPJMESA-N 0 0 388.515 5.395 50 0 GKAARN CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 ZINC000001206264 570257599 /nfs/dbraw/zinc/25/75/99/570257599.db2.gz HLWSDGNDVAGGCL-UHFFFAOYSA-N 0 0 387.439 5.177 50 0 GKAARN O=C(CSc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000001205717 570257706 /nfs/dbraw/zinc/25/77/06/570257706.db2.gz AIJAJNXPAIXEDH-UHFFFAOYSA-N 0 0 381.111 6.031 50 0 GKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000001204082 570257747 /nfs/dbraw/zinc/25/77/47/570257747.db2.gz CEWWFYWPGBDXFZ-UHFFFAOYSA-N 0 0 382.419 6.110 50 0 GKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(Br)cc3)sc2c1 ZINC000001207236 570258192 /nfs/dbraw/zinc/25/81/92/570258192.db2.gz SOFDTXSESWXHJN-UHFFFAOYSA-N 0 0 396.693 5.578 50 0 GKAARN COc1c(Cl)cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Cl ZINC000001207407 570258233 /nfs/dbraw/zinc/25/82/33/570258233.db2.gz WTOGLFNHNDAQNF-UHFFFAOYSA-N 0 0 387.266 5.240 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000001207469 570258241 /nfs/dbraw/zinc/25/82/41/570258241.db2.gz HTCPUIXIAMAYTA-UHFFFAOYSA-N 0 0 394.883 5.634 50 0 GKAARN COc1cccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)c1 ZINC000001217510 570258863 /nfs/dbraw/zinc/25/88/63/570258863.db2.gz CWLODHHVHVKOHU-QGZVFWFLSA-N 0 0 382.463 5.401 50 0 GKAARN COc1ccc2cccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)c2n1 ZINC000049027934 570259907 /nfs/dbraw/zinc/25/99/07/570259907.db2.gz YCVORTODPSGRRU-UHFFFAOYSA-N 0 0 393.830 5.113 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000001268088 570260055 /nfs/dbraw/zinc/26/00/55/570260055.db2.gz DILMWIPJFYDMBE-UHFFFAOYSA-N 0 0 392.421 5.347 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001312156 570260441 /nfs/dbraw/zinc/26/04/41/570260441.db2.gz VMFAGLGGYBQSSV-UHFFFAOYSA-N 0 0 380.658 6.468 50 0 GKAARN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000001298440 570260554 /nfs/dbraw/zinc/26/05/54/570260554.db2.gz MNLRFQXOLRBURQ-UHFFFAOYSA-N 0 0 388.467 5.080 50 0 GKAARN CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)c(Cl)c1 ZINC000001386416 570261475 /nfs/dbraw/zinc/26/14/75/570261475.db2.gz FNZTWTLUGJRICZ-UHFFFAOYSA-N 0 0 389.238 5.419 50 0 GKAARN Cc1ccc(COc2c(C(=O)c3cnn(C(C)(C)C)c3)ccc3ccccc32)cc1 ZINC000001395048 570261912 /nfs/dbraw/zinc/26/19/12/570261912.db2.gz JSLWMYNKBKGWMJ-UHFFFAOYSA-N 0 0 398.506 5.910 50 0 GKAARN Cc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c(C)c1 ZINC000049004721 570261992 /nfs/dbraw/zinc/26/19/92/570261992.db2.gz IGRPRBBDWDIZDO-UHFFFAOYSA-N 0 0 388.515 5.315 50 0 GKAARN Cc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c(F)c1 ZINC000012825642 570262054 /nfs/dbraw/zinc/26/20/54/570262054.db2.gz KFXAGSKQXZJISU-UHFFFAOYSA-N 0 0 378.428 5.770 50 0 GKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Cl)c2)n(-c2cccc(F)c2)n1 ZINC000023319036 570262141 /nfs/dbraw/zinc/26/21/41/570262141.db2.gz SAHWZTUDANDXJA-UHFFFAOYSA-N 0 0 389.833 5.354 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000001413990 570262382 /nfs/dbraw/zinc/26/23/82/570262382.db2.gz RKINGUXKJJXGGZ-UHFFFAOYSA-N 0 0 394.430 5.909 50 0 GKAARN c1ccc2c(c1)cccc2C12CC3CC(C1)CC(c1cccc4ccccc41)(C3)C2 ZINC000049089008 570262439 /nfs/dbraw/zinc/26/24/39/570262439.db2.gz BSCKBHAYLNMJCT-UHFFFAOYSA-N 0 0 388.554 7.783 50 0 GKAARN COc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000023320449 570262525 /nfs/dbraw/zinc/26/25/25/570262525.db2.gz HNPBDHRTXNNGKX-UHFFFAOYSA-N 0 0 390.483 5.491 50 0 GKAARN CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000023318265 570262919 /nfs/dbraw/zinc/26/29/19/570262919.db2.gz WZTXTTWIHRIGPX-QHCPKHFHSA-N 0 0 375.899 5.690 50 0 GKAARN O=C(Nc1ccccc1F)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023321213 570262969 /nfs/dbraw/zinc/26/29/69/570262969.db2.gz SISJZZVKCZQCIJ-NRFANRHFSA-N 0 0 380.850 5.659 50 0 GKAARN O=C(Nc1ccccc1F)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023321210 570262971 /nfs/dbraw/zinc/26/29/71/570262971.db2.gz SISJZZVKCZQCIJ-OAQYLSRUSA-N 0 0 380.850 5.659 50 0 GKAARN CCc1ccc(NC(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 ZINC000005560489 570263072 /nfs/dbraw/zinc/26/30/72/570263072.db2.gz KHAUZFYEVXBFTM-SAPNQHFASA-N 0 0 381.479 5.408 50 0 GKAARN Cc1c(Cl)ccc(NC(=O)CC2c3ccccc3Oc3ccccc32)c1Cl ZINC000001440215 570263160 /nfs/dbraw/zinc/26/31/60/570263160.db2.gz LOAVQOQOPIWWTE-UHFFFAOYSA-N 0 0 398.289 6.568 50 0 GKAARN CCc1ccc(-c2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3o2)cc1 ZINC000098086873 570263231 /nfs/dbraw/zinc/26/32/31/570263231.db2.gz WIAIKADBRYIPMO-UHFFFAOYSA-N 0 0 398.506 6.607 50 0 GKAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000098073266 570263245 /nfs/dbraw/zinc/26/32/45/570263245.db2.gz KWKLXMYHMPVMOL-UHFFFAOYSA-N 0 0 389.804 6.129 50 0 GKAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073095 570263291 /nfs/dbraw/zinc/26/32/91/570263291.db2.gz NOTZZSQOAKJKAC-CYBMUJFWSA-N 0 0 383.369 5.077 50 0 GKAARN COc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1Cl ZINC000098073315 570263297 /nfs/dbraw/zinc/26/32/97/570263297.db2.gz LQNRDHLIDHXGCT-OAHLLOKOSA-N 0 0 393.870 5.322 50 0 GKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC[C@@H](C)C2)cc1 ZINC000001447639 570263411 /nfs/dbraw/zinc/26/34/11/570263411.db2.gz AUUUMGOHCATHKD-GOSISDBHSA-N 0 0 398.510 5.332 50 0 GKAARN COc1ccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(F)cc3)oc2c1 ZINC000001514534 570264130 /nfs/dbraw/zinc/26/41/30/570264130.db2.gz OZEGDFIORAHVOQ-RWEWTDSWSA-N 0 0 388.398 5.065 50 0 GKAARN Cc1cccc(-c2csc(-c3nc(-c4ccccn4)no3)c2-n2cccc2)c1 ZINC000098212001 570264239 /nfs/dbraw/zinc/26/42/39/570264239.db2.gz QDDJYZCCQFQJKO-UHFFFAOYSA-N 0 0 384.464 5.626 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000010540921 570264435 /nfs/dbraw/zinc/26/44/35/570264435.db2.gz NMPRKKJNPALXCA-UHFFFAOYSA-N 0 0 375.403 5.141 50 0 GKAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)cc2Cl)N1c1cccc(Cl)c1 ZINC000085988255 570264848 /nfs/dbraw/zinc/26/48/48/570264848.db2.gz QBZKEQSZWVCYAO-DLBZAZTESA-N 0 0 381.690 5.157 50 0 GKAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1cccc(Cl)c1 ZINC000085988246 570264908 /nfs/dbraw/zinc/26/49/08/570264908.db2.gz JKTIBRFLMXNSQP-DLBZAZTESA-N 0 0 381.690 5.157 50 0 GKAARN CCOc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000100089108 570266012 /nfs/dbraw/zinc/26/60/12/570266012.db2.gz XOUQTKIQUBWFDG-DEOSSOPVSA-N 0 0 385.488 6.336 50 0 GKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C12 ZINC000100089121 570266017 /nfs/dbraw/zinc/26/60/17/570266017.db2.gz CBNQODWBEWQUED-QHCPKHFHSA-N 0 0 385.444 5.666 50 0 GKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCC[C@@H]2C)cc1 ZINC000049421515 570267073 /nfs/dbraw/zinc/26/70/73/570267073.db2.gz OQPJCDRNVYQVGL-SFHVURJKSA-N 0 0 394.540 5.063 50 0 GKAARN COc1ccc([C@H](NCc2c(C)nn(CC(C)C)c2Cl)c2ccccc2)cc1 ZINC000012855384 570267141 /nfs/dbraw/zinc/26/71/41/570267141.db2.gz POJAZMCZRNDRGU-JOCHJYFZSA-N 0 0 397.950 5.389 50 0 GKAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCC[C@H]2C)cc1 ZINC000049421516 570267153 /nfs/dbraw/zinc/26/71/53/570267153.db2.gz OQPJCDRNVYQVGL-GOSISDBHSA-N 0 0 394.540 5.063 50 0 GKAARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000100141921 570267250 /nfs/dbraw/zinc/26/72/50/570267250.db2.gz WUKKJHCFBMKLGZ-HSZRJFAPSA-N 0 0 392.474 6.028 50 0 GKAARN COc1ccc([C@@H](NCc2c(C)nn(CC(C)C)c2Cl)c2ccccc2)cc1 ZINC000012855379 570267333 /nfs/dbraw/zinc/26/73/33/570267333.db2.gz POJAZMCZRNDRGU-QFIPXVFZSA-N 0 0 397.950 5.389 50 0 GKAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC(COCc2ccccc2)CC1 ZINC000049445847 570267532 /nfs/dbraw/zinc/26/75/32/570267532.db2.gz TUEOGMIUFSLJSE-UHFFFAOYSA-N 0 0 399.534 5.274 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(Br)c1 ZINC000001518190 570267935 /nfs/dbraw/zinc/26/79/35/570267935.db2.gz XGGROXILPMWLDC-UHFFFAOYSA-N 0 0 392.256 5.245 50 0 GKAARN CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(C)cc3)n2)cc1 ZINC000001773399 570268253 /nfs/dbraw/zinc/26/82/53/570268253.db2.gz QTXSQQMYLJENML-UHFFFAOYSA-N 0 0 396.512 5.315 50 0 GKAARN COc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000001777412 570268386 /nfs/dbraw/zinc/26/83/86/570268386.db2.gz CEAQVQLCKRTEBL-UHFFFAOYSA-N 0 0 375.896 5.444 50 0 GKAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001777938 570268423 /nfs/dbraw/zinc/26/84/23/570268423.db2.gz SUDJNBDQFUIVGI-LICLKQGHSA-N 0 0 387.479 5.706 50 0 GKAARN CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000020573083 570268577 /nfs/dbraw/zinc/26/85/77/570268577.db2.gz CNKAKFXQPMYLPA-IPAUSASBSA-N 0 0 378.919 5.986 50 0 GKAARN CCC[C@H](NC(=O)Nc1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000020573084 570268608 /nfs/dbraw/zinc/26/86/08/570268608.db2.gz CNKAKFXQPMYLPA-BAMAOYLXSA-N 0 0 378.919 5.986 50 0 GKAARN CC(C)(C)c1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 ZINC000001797582 570268726 /nfs/dbraw/zinc/26/87/26/570268726.db2.gz RTIXFHOYUWISMX-UHFFFAOYSA-N 0 0 382.887 5.812 50 0 GKAARN O=c1oc2cc(OCc3c(Cl)cccc3Cl)c(Cl)cc2c2c1CCC2 ZINC000001797580 570268729 /nfs/dbraw/zinc/26/87/29/570268729.db2.gz JJZATEZBCUJQGT-UHFFFAOYSA-N 0 0 395.669 5.821 50 0 GKAARN CC(C)N(C(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc21)C(C)C ZINC000012863945 570268799 /nfs/dbraw/zinc/26/87/99/570268799.db2.gz VHLOFOXUMSGVOZ-OAHLLOKOSA-N 0 0 383.517 5.016 50 0 GKAARN Cc1ccccc1-c1c[nH]nc1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000020586487 570269102 /nfs/dbraw/zinc/26/91/02/570269102.db2.gz FNCHZNJVNAKFAJ-SFHVURJKSA-N 0 0 393.556 5.176 50 0 GKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccccc1OCCc1ccccc1 ZINC000049546912 570269367 /nfs/dbraw/zinc/26/93/67/570269367.db2.gz ZHHJTNPZGHZYFH-LJQANCHMSA-N 0 0 389.499 5.383 50 0 GKAARN CC(C)(C)c1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc(C(C)(C)C)c1 ZINC000001863035 570269594 /nfs/dbraw/zinc/26/95/94/570269594.db2.gz GWPSJILOOAICBZ-UHFFFAOYSA-N 0 0 386.535 7.168 50 0 GKAARN COc1cccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)c1OC ZINC000049549683 570269729 /nfs/dbraw/zinc/26/97/29/570269729.db2.gz OMWKANZAPJFGET-CQSZACIVSA-N 0 0 384.432 5.090 50 0 GKAARN CSc1nc(-c2cc3c(c(SC)n2)CCCCC3)cc2c1CCCCC2 ZINC000001863718 570269760 /nfs/dbraw/zinc/26/97/60/570269760.db2.gz WZDYMNLTFJEVQX-UHFFFAOYSA-N 0 0 384.614 6.125 50 0 GKAARN CC(C)(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc(OC2CCCC2)cc1 ZINC000049550671 570269783 /nfs/dbraw/zinc/26/97/83/570269783.db2.gz BNEZLVKLLNJXPY-IBGZPJMESA-N 0 0 385.533 5.384 50 0 GKAARN O=c1cc(-c2ccccc2)c2ccc(OCc3c(F)cccc3Cl)cc2o1 ZINC000001893471 570270082 /nfs/dbraw/zinc/27/00/82/570270082.db2.gz HZHGCYKRYZHUDE-UHFFFAOYSA-N 0 0 380.802 5.832 50 0 GKAARN O=C(Nc1cccc(Cl)c1)Oc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000640598 570270188 /nfs/dbraw/zinc/27/01/88/570270188.db2.gz ZLZUSHUXSLSBIF-UHFFFAOYSA-N 0 0 386.234 5.835 50 0 GKAARN CC(C)C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000049573918 570270223 /nfs/dbraw/zinc/27/02/23/570270223.db2.gz FYKCMPQDEIFGFS-SFHVURJKSA-N 0 0 389.421 5.028 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000004543216 570270340 /nfs/dbraw/zinc/27/03/40/570270340.db2.gz ZFGIQXUPWCODEQ-UHFFFAOYSA-N 0 0 379.070 5.626 50 0 GKAARN COc1cccc(NC(=O)/C=C/c2sc3ccccc3c2Br)c1 ZINC000004542802 570270408 /nfs/dbraw/zinc/27/04/08/570270408.db2.gz XIPINPYDAONTRU-MDZDMXLPSA-N 0 0 388.286 5.324 50 0 GKAARN Cc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1Cl ZINC000004542603 570270421 /nfs/dbraw/zinc/27/04/21/570270421.db2.gz ZRNJBUIQPCLKNB-UHFFFAOYSA-N 0 0 380.694 5.878 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2cccc(OC)c2)cc3C(F)F)cc1 ZINC000020602844 570270609 /nfs/dbraw/zinc/27/06/09/570270609.db2.gz XRWQZJAQVHLVCC-UHFFFAOYSA-N 0 0 395.409 5.351 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)cc1 ZINC000020603495 570270686 /nfs/dbraw/zinc/27/06/86/570270686.db2.gz ZMENLZTUAXZLBX-UHFFFAOYSA-N 0 0 387.455 5.482 50 0 GKAARN COc1ccc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000006457711 570271011 /nfs/dbraw/zinc/27/10/11/570271011.db2.gz JNAFBFVWKSKGLK-UHFFFAOYSA-N 0 0 380.487 6.204 50 0 GKAARN COc1cc2oc3cc(OC)c(Br)cc3c2cc1Br ZINC000043214966 570271360 /nfs/dbraw/zinc/27/13/60/570271360.db2.gz MPGBPXPGFDLKNV-UHFFFAOYSA-N 0 0 386.039 5.128 50 0 GKAARN Cc1nn(CCc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1Cl ZINC000020606431 570271196 /nfs/dbraw/zinc/27/11/96/570271196.db2.gz FSZWJHOXRVMVCU-UHFFFAOYSA-N 0 0 386.735 5.826 50 0 GKAARN O=S1(=O)[C@@]23CCCCCCC/C=C\CCCCCCC[C@@]1(CC2)CCCC3 ZINC000043199203 570271430 /nfs/dbraw/zinc/27/14/30/570271430.db2.gz IZTQUULRPBKURG-NTBXWONESA-N 0 0 394.665 7.278 50 0 GKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cc1C ZINC000020607995 570271570 /nfs/dbraw/zinc/27/15/70/570271570.db2.gz BOIRMXJNRMQDFW-UHFFFAOYSA-N 0 0 391.418 5.092 50 0 GKAARN c1ccc2cc(C3=NN4[C@H](C3)c3ccccc3O[C@H]4c3ccncc3)ccc2c1 ZINC000100727325 570271953 /nfs/dbraw/zinc/27/19/53/570271953.db2.gz GMMXTGPWIQNKIJ-NOZRDPDXSA-N 0 0 377.447 5.477 50 0 GKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 ZINC000100424350 570271985 /nfs/dbraw/zinc/27/19/85/570271985.db2.gz QEPWEMZUNWOODD-NIYFSFCBSA-N 0 0 396.490 6.324 50 0 GKAARN O=C(COc1ccccc1-c1ccnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000071785263 570272035 /nfs/dbraw/zinc/27/20/35/570272035.db2.gz XWHWIYFJKLMMRD-UHFFFAOYSA-N 0 0 388.854 5.454 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 ZINC000100429607 570272280 /nfs/dbraw/zinc/27/22/80/570272280.db2.gz HTEAYZVHAADFOF-CMJOXMDJSA-N 0 0 388.423 5.443 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 ZINC000100429611 570272306 /nfs/dbraw/zinc/27/23/06/570272306.db2.gz HTEAYZVHAADFOF-NPMXOYFQSA-N 0 0 388.423 5.443 50 0 GKAARN O=C1c2ccccc2[C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N12 ZINC000100425190 570272311 /nfs/dbraw/zinc/27/23/11/570272311.db2.gz CYYJKHHAWOYZRN-FATZIPQQSA-N 0 0 398.487 5.925 50 0 GKAARN Brc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000006128820 570272338 /nfs/dbraw/zinc/27/23/38/570272338.db2.gz CMJKBQCYECOMAA-UHFFFAOYSA-N 0 0 386.318 5.200 50 0 GKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c12 ZINC000020615146 570272375 /nfs/dbraw/zinc/27/23/75/570272375.db2.gz VNMIOKRXWZHGDH-UHFFFAOYSA-N 0 0 381.401 6.089 50 0 GKAARN COc1cccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)c1 ZINC000020615575 570272430 /nfs/dbraw/zinc/27/24/30/570272430.db2.gz BLWQFTUVPCLTBH-UHFFFAOYSA-N 0 0 387.336 5.254 50 0 GKAARN COc1ccc(CO[C@H]2C(=O)[C@@H]3CCCC[C@@H]3CC=C3CC[C@H]2C3(C)C)cc1 ZINC000104308437 570272567 /nfs/dbraw/zinc/27/25/67/570272567.db2.gz KNMKFVGBIOCROQ-JUKUVREKSA-N 0 0 382.544 5.722 50 0 GKAARN COc1ccccc1OCCSc1nc2ccccc2n1Cc1ccccc1 ZINC000002050803 570272569 /nfs/dbraw/zinc/27/25/69/570272569.db2.gz KWUADLCMSSRSTK-UHFFFAOYSA-N 0 0 390.508 5.264 50 0 GKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c1 ZINC000002053653 570272674 /nfs/dbraw/zinc/27/26/74/570272674.db2.gz ADDKWFGLQRHHDI-UHFFFAOYSA-N 0 0 378.497 5.146 50 0 GKAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(OCc2ccccc2)c1 ZINC000002051373 570272688 /nfs/dbraw/zinc/27/26/88/570272688.db2.gz AOONTWHXMFZHLH-UHFFFAOYSA-N 0 0 387.357 5.417 50 0 GKAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 ZINC000002059375 570272864 /nfs/dbraw/zinc/27/28/64/570272864.db2.gz AQFNWTCKLYAGJS-UHFFFAOYSA-N 0 0 388.492 5.923 50 0 GKAARN CCOC(=O)c1c(NC(=O)[C@H](CC)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000002056415 570272966 /nfs/dbraw/zinc/27/29/66/570272966.db2.gz 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570273667 /nfs/dbraw/zinc/27/36/67/570273667.db2.gz VYVLJLABYFBYEO-FDDCHVKYSA-N 0 0 375.537 6.672 50 0 GKAARN Cc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000002085058 570273911 /nfs/dbraw/zinc/27/39/11/570273911.db2.gz UIUJICJZDNFBIK-UHFFFAOYSA-N 0 0 393.577 6.327 50 0 GKAARN CCCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CC[C@@H](C)C2 ZINC000002085684 570273920 /nfs/dbraw/zinc/27/39/20/570273920.db2.gz AWNJHZAEYDWTIH-CQSZACIVSA-N 0 0 377.550 5.349 50 0 GKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccccc1-2 ZINC000002083760 570273947 /nfs/dbraw/zinc/27/39/47/570273947.db2.gz FJZDPLOJPONEEH-KRWDZBQOSA-N 0 0 384.530 5.386 50 0 GKAARN Cc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002082021 570273958 /nfs/dbraw/zinc/27/39/58/570273958.db2.gz OHGSLEISYNUSPI-UHFFFAOYSA-N 0 0 386.882 5.794 50 0 GKAARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 ZINC000100640771 570274109 /nfs/dbraw/zinc/27/41/09/570274109.db2.gz KQJHMFWYOIUVOG-UQBPGWFLSA-N 0 0 381.479 6.019 50 0 GKAARN Cc1ccc(C)c(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000002091576 570274230 /nfs/dbraw/zinc/27/42/30/570274230.db2.gz QENGAUKSWXIXMB-UHFFFAOYSA-N 0 0 398.289 6.094 50 0 GKAARN CCCOC(=O)c1c(NC(=O)C2CCC2)sc(C)c1-c1ccc(OC)cc1 ZINC000002088700 570274233 /nfs/dbraw/zinc/27/42/33/570274233.db2.gz PGPKTUMDJAGOMZ-UHFFFAOYSA-N 0 0 387.501 5.038 50 0 GKAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(COc2ccccc2Cl)c1 ZINC000002089607 570274244 /nfs/dbraw/zinc/27/42/44/570274244.db2.gz YOZHVBFENSDJSG-QFIPXVFZSA-N 0 0 391.898 5.726 50 0 GKAARN Cc1ccc(C)c(NC(=O)CCSCCC(=O)Nc2cc(C)ccc2C)c1 ZINC000002088263 570274255 /nfs/dbraw/zinc/27/42/55/570274255.db2.gz RHLBVVAZHGAEGK-UHFFFAOYSA-N 0 0 384.545 5.011 50 0 GKAARN O=C1Cc2cc(-c3csc(Nc4ccccc4C(F)(F)F)n3)ccc2N1 ZINC000020672925 570274340 /nfs/dbraw/zinc/27/43/40/570274340.db2.gz HDNRDSVZFAMAJM-UHFFFAOYSA-N 0 0 375.375 5.067 50 0 GKAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002095076 570274475 /nfs/dbraw/zinc/27/44/75/570274475.db2.gz 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CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000100682490 570274696 /nfs/dbraw/zinc/27/46/96/570274696.db2.gz BIKBXVDGYLXILG-HXUWFJFHSA-N 0 0 386.417 6.577 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2cc(C)cc(C)c2)sc2c1CCCCCC2 ZINC000002103167 570274825 /nfs/dbraw/zinc/27/48/25/570274825.db2.gz YUZCAUMPNQQUMA-UHFFFAOYSA-N 0 0 385.529 5.453 50 0 GKAARN C[S@](=O)Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)s2)c1 ZINC000115263194 570274915 /nfs/dbraw/zinc/27/49/15/570274915.db2.gz ORYIBXQHEJHFQI-RUZDIDTESA-N 0 0 389.929 5.199 50 0 GKAARN O=C(/C=C/c1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 ZINC000002115018 570275184 /nfs/dbraw/zinc/27/51/84/570275184.db2.gz MEBNAMWKTJEDRN-DTQAZKPQSA-N 0 0 392.296 5.368 50 0 GKAARN COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5ccccc5)c4cc23)cc1 ZINC000002119198 570275288 /nfs/dbraw/zinc/27/52/88/570275288.db2.gz CBKFQHMNLDFTMP-UHFFFAOYSA-N 0 0 382.415 6.190 50 0 biogenic GKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002132055 570275421 /nfs/dbraw/zinc/27/54/21/570275421.db2.gz UYZZFJFLXAJFEW-UHFFFAOYSA-N 0 0 378.475 6.201 50 0 GKAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000100731125 570275472 /nfs/dbraw/zinc/27/54/72/570275472.db2.gz FPSFHRDXOXPXAN-IRLDBZIGSA-N 0 0 395.289 6.236 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000002135110 570275616 /nfs/dbraw/zinc/27/56/16/570275616.db2.gz JDXRSXCCRBENMV-UHFFFAOYSA-N 0 0 378.516 5.299 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002142427 570275865 /nfs/dbraw/zinc/27/58/65/570275865.db2.gz TXIVHNSGTMLVLF-UHFFFAOYSA-N 0 0 384.477 6.598 50 0 GKAARN O=C(NCCSc1ccc(Cl)cc1)c1cccnc1Oc1ccccc1 ZINC000002141700 570275877 /nfs/dbraw/zinc/27/58/77/570275877.db2.gz XFCIUVUEGGOFKE-UHFFFAOYSA-N 0 0 384.888 5.049 50 0 GKAARN Clc1ccc(SCc2nsc(Sc3ccc(Cl)cc3)n2)cc1 ZINC000002141827 570275905 /nfs/dbraw/zinc/27/59/05/570275905.db2.gz GOCZRSVWMZBAJR-UHFFFAOYSA-N 0 0 385.366 6.288 50 0 GKAARN Cc1cn2c([nH]1)c(-c1nc(-c3ccc(Cl)cc3)cs1)c(=O)c1ccccc12 ZINC000012879236 570275907 /nfs/dbraw/zinc/27/59/07/570275907.db2.gz SELRVJOTEGCVIQ-UHFFFAOYSA-N 0 0 391.883 5.533 50 0 GKAARN Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000100739714 570275961 /nfs/dbraw/zinc/27/59/61/570275961.db2.gz GSZYCJOQZHGZME-IRLDBZIGSA-N 0 0 396.824 5.861 50 0 GKAARN Clc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000100743119 570275993 /nfs/dbraw/zinc/27/59/93/570275993.db2.gz JHQYJDJZYHYJDQ-GAUDMLSGSA-N 0 0 379.290 5.920 50 0 GKAARN Cc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)nc(C)c12 ZINC000002146072 570276044 /nfs/dbraw/zinc/27/60/44/570276044.db2.gz DOOHMMNIKIGJTM-UHFFFAOYSA-N 0 0 378.884 5.860 50 0 GKAARN O=C(/C=C\c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000006132657 570276120 /nfs/dbraw/zinc/27/61/20/570276120.db2.gz CAPGDDDWRSKDGW-BAQGIRSFSA-N 0 0 393.270 5.908 50 0 GKAARN Cc1c2cc(Cl)ccc2sc1-c1csc(-c2ccc(Cl)cc2)n1 ZINC000002148116 570276174 /nfs/dbraw/zinc/27/61/74/570276174.db2.gz NWXBWGLFCQEUSD-UHFFFAOYSA-N 0 0 376.333 7.307 50 0 GKAARN CC(C)(C)c1csc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000002151837 570276406 /nfs/dbraw/zinc/27/64/06/570276406.db2.gz NYAXPYYRZJZLBR-UHFFFAOYSA-N 0 0 378.419 6.314 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C(C)=O)cc3)ccc21 ZINC000014907936 570276413 /nfs/dbraw/zinc/27/64/13/570276413.db2.gz LNYIRAUCAHLHHB-UHFFFAOYSA-N 0 0 386.451 5.035 50 0 GKAARN O=C1CS[C@H](c2cccc(OCc3ccccc3Cl)c2)c2c[nH]nc2N1 ZINC000020722538 570276379 /nfs/dbraw/zinc/27/63/79/570276379.db2.gz YYJWXSRRKWWMND-GOSISDBHSA-N 0 0 385.876 5.066 50 0 GKAARN O=C1CS[C@H](c2cccc(OCc3cccc(Cl)c3)c2)c2c[nH]nc2N1 ZINC000020721439 570276407 /nfs/dbraw/zinc/27/64/07/570276407.db2.gz VTISMIFAZXNZDK-GOSISDBHSA-N 0 0 385.876 5.066 50 0 GKAARN O=C(CSc1ssc(=S)c1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002152654 570276481 /nfs/dbraw/zinc/27/64/81/570276481.db2.gz FLGGONCJNOBWOI-UHFFFAOYSA-N 0 0 394.995 6.834 50 0 GKAARN O=C1CS[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)c2c[nH]nc2N1 ZINC000020721436 570276445 /nfs/dbraw/zinc/27/64/45/570276445.db2.gz VTISMIFAZXNZDK-SFHVURJKSA-N 0 0 385.876 5.066 50 0 GKAARN CCc1cc(Cc2cc(CC)c(N)c(CC)c2Cl)c(Cl)c(CC)c1N ZINC000002149445 570276500 /nfs/dbraw/zinc/27/65/00/570276500.db2.gz VIOMIGLBMQVNLY-UHFFFAOYSA-N 0 0 379.375 5.998 50 0 GKAARN Clc1ccc(COc2ccc(Cl)cc2CNc2ccccc2)c(Cl)c1 ZINC000002159849 570276612 /nfs/dbraw/zinc/27/66/12/570276612.db2.gz NDOLAVRJSDCSTL-UHFFFAOYSA-N 0 0 392.713 6.838 50 0 GKAARN FC(F)(F)Oc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000002154629 570276615 /nfs/dbraw/zinc/27/66/15/570276615.db2.gz DQNJGLYENFALTF-UHFFFAOYSA-N 0 0 375.133 5.609 50 0 GKAARN Cc1ccc([C@](O)(c2ccccc2)[C@](O)(c2ccccc2)c2ccc(C)cc2)cc1 ZINC000002165801 570276691 /nfs/dbraw/zinc/27/66/91/570276691.db2.gz YOCSNHRJFCUGEU-HNRBIFIRSA-N 0 0 394.514 5.475 50 0 GKAARN Cc1ccc([C@@](O)(c2ccccc2)[C@](O)(c2ccccc2)c2ccc(C)cc2)cc1 ZINC000002165805 570276763 /nfs/dbraw/zinc/27/67/63/570276763.db2.gz 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ZINC000002177901 570277165 /nfs/dbraw/zinc/27/71/65/570277165.db2.gz YFPCYMUPOKBVMM-VWLOTQADSA-N 0 0 383.495 5.173 50 0 GKAARN CCN(CC)c1ccc(C=O)c(OCCOc2ccc(C3CCCCC3)cc2)c1 ZINC000002179833 570277380 /nfs/dbraw/zinc/27/73/80/570277380.db2.gz FYMAJFCMMSCXCB-UHFFFAOYSA-N 0 0 395.543 5.851 50 0 GKAARN CCCCc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(C(C)=O)c2oc1=O ZINC000002180715 570277519 /nfs/dbraw/zinc/27/75/19/570277519.db2.gz MTFGRXUEUNVBTA-UHFFFAOYSA-N 0 0 398.886 5.879 50 0 GKAARN FC(F)(F)c1ccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn32)cc1 ZINC000002182972 570277561 /nfs/dbraw/zinc/27/75/61/570277561.db2.gz XEFIBYQOBBXOGB-UHFFFAOYSA-N 0 0 394.809 5.116 50 0 GKAARN CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000002185874 570277802 /nfs/dbraw/zinc/27/78/02/570277802.db2.gz AYJFUSPXTPMXKL-XMMPIXPASA-N 0 0 387.498 5.895 50 0 GKAARN O=C(c1ccccc1)[C@H](Cn1cncn1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000630027 570278022 /nfs/dbraw/zinc/27/80/22/570278022.db2.gz GVZXYAMGSRDROZ-LADGPHEKSA-N 0 0 399.519 5.311 50 0 GKAARN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000002189897 570278083 /nfs/dbraw/zinc/27/80/83/570278083.db2.gz MQHKONJLXJPWOJ-JOCHJYFZSA-N 0 0 376.431 5.386 50 0 GKAARN Cc1cc(Br)cc(C)c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002190174 570278091 /nfs/dbraw/zinc/27/80/91/570278091.db2.gz VPCGKQLMZQFSTN-UHFFFAOYSA-N 0 0 394.312 5.837 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006154114 570278142 /nfs/dbraw/zinc/27/81/42/570278142.db2.gz HHAJTXCLHSDTMS-CQSZACIVSA-N 0 0 391.858 5.289 50 0 GKAARN CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 ZINC000002188685 570278184 /nfs/dbraw/zinc/27/81/84/570278184.db2.gz WLDBYGFQLWTYOR-RUZDIDTESA-N 0 0 394.474 6.010 50 0 GKAARN CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000002188756 570278245 /nfs/dbraw/zinc/27/82/45/570278245.db2.gz NBEOLUPTLIJJCX-QMHKHESXSA-N 0 0 390.914 6.625 50 0 GKAARN O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccncc1 ZINC000024667054 570278320 /nfs/dbraw/zinc/27/83/20/570278320.db2.gz SHFUJNFBCMFFQO-XMMPIXPASA-N 0 0 385.511 5.150 50 0 GKAARN CCOc1ccc2nc(NC(=O)COc3cc(C(C)C)ccc3C)sc2c1 ZINC000006155910 570278300 /nfs/dbraw/zinc/27/83/00/570278300.db2.gz PFUNZAOAXPSJII-UHFFFAOYSA-N 0 0 384.501 5.144 50 0 GKAARN Cc1ccc2c(C)nc(S[C@H](C(=O)c3ccccc3)c3ccccc3)nc2c1 ZINC000002190787 570278392 /nfs/dbraw/zinc/27/83/92/570278392.db2.gz WQPKOZUXNMBWLU-QHCPKHFHSA-N 0 0 384.504 5.963 50 0 aggregator GKAARN O=C(Nc1ccccc1)O[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000002193193 570278402 /nfs/dbraw/zinc/27/84/02/570278402.db2.gz FRUZYZZJDYXFNN-GOSISDBHSA-N 0 0 381.884 6.337 50 0 GKAARN Cc1ccc2c(c1)NC(C)(C)c1sn(-c3cccc4ccccc43)c(=S)c1-2 ZINC000002196775 570278754 /nfs/dbraw/zinc/27/87/54/570278754.db2.gz HLZHMLZSERTSDN-UHFFFAOYSA-N 0 0 388.561 7.058 50 0 GKAARN COC(=O)c1c(C=CNc2ccccc2)onc1-c1c(Cl)cccc1Cl ZINC000100913001 570278906 /nfs/dbraw/zinc/27/89/06/570278906.db2.gz FZFRIOBUONRQHX-ZHACJKMWSA-N 0 0 389.238 5.518 50 0 GKAARN O=C(Nc1cc(=O)oc2ccccc12)c1sc2ccc(Cl)cc2c1Cl ZINC000020745304 570279027 /nfs/dbraw/zinc/27/90/27/570279027.db2.gz ZDTJEOXVAYNHFZ-UHFFFAOYSA-N 0 0 390.247 5.567 50 0 GKAARN Cc1ccc([C@@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 ZINC000002213030 570279028 /nfs/dbraw/zinc/27/90/28/570279028.db2.gz NWCPGCYUKHAKBA-QFIPXVFZSA-N 0 0 389.476 6.644 50 0 GKAARN CCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)cc3Cl)cc21 ZINC000000639327 570279072 /nfs/dbraw/zinc/27/90/72/570279072.db2.gz LGPYODYQCBPYQK-UHFFFAOYSA-N 0 0 379.239 5.804 50 0 GKAARN Cc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)cc1 ZINC000002224502 570279565 /nfs/dbraw/zinc/27/95/65/570279565.db2.gz PYWHCPADHDSOIU-UHFFFAOYSA-N 0 0 391.283 5.047 50 0 GKAARN Clc1ccc(-c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cc1 ZINC000002225774 570279771 /nfs/dbraw/zinc/27/97/71/570279771.db2.gz FAMCEAFUEIZHJJ-UHFFFAOYSA-N 0 0 381.675 5.480 50 0 GKAARN COc1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1 ZINC000002226711 570279846 /nfs/dbraw/zinc/27/98/46/570279846.db2.gz LIYQAPYXGSELKJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/28/09/25/570280925.db2.gz ALRRYYLXIPRCCU-UHFFFAOYSA-N 0 0 394.511 6.598 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Br)c1 ZINC000101101874 570281170 /nfs/dbraw/zinc/28/11/70/570281170.db2.gz IMWUKNRSDWRTAC-FQEVSTJZSA-N 0 0 397.316 6.321 50 0 GKAARN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000006720213 570281164 /nfs/dbraw/zinc/28/11/64/570281164.db2.gz KIWYVMSPGRRJBF-QFIPXVFZSA-N 0 0 385.854 5.480 50 0 GKAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000002288477 570281199 /nfs/dbraw/zinc/28/11/99/570281199.db2.gz AJITYOYKXSSAMY-UHFFFAOYSA-N 0 0 390.508 5.440 50 0 GKAARN Cc1ccccc1-c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000002297121 570281647 /nfs/dbraw/zinc/28/16/47/570281647.db2.gz LOQVSJJECZDOTJ-UHFFFAOYSA-N 0 0 379.272 5.464 50 0 GKAARN Clc1ccc(/C=C\C2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020813026 570281669 /nfs/dbraw/zinc/28/16/69/570281669.db2.gz RZJGDKDDWWZMGQ-SHRUJXPDSA-N 0 0 393.317 7.336 50 0 GKAARN CCc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000005471482 570281786 /nfs/dbraw/zinc/28/17/86/570281786.db2.gz VXFVFJFXODZAHE-UHFFFAOYSA-N 0 0 398.506 5.443 50 0 GKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C(C)C ZINC000002304352 570281893 /nfs/dbraw/zinc/28/18/93/570281893.db2.gz BJLFAUZVNKFIFZ-UHFFFAOYSA-N 0 0 393.508 5.853 50 0 GKAARN CCCCOc1ccc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000002301777 570281995 /nfs/dbraw/zinc/28/19/95/570281995.db2.gz ABGWJIZKSAWPTQ-UHFFFAOYSA-N 0 0 398.462 5.695 50 0 GKAARN Brc1ccc2cc(OCc3nnc(-c4ccccc4)o3)ccc2c1 ZINC000020822959 570282071 /nfs/dbraw/zinc/28/20/71/570282071.db2.gz DUYZGIAMVNKESF-UHFFFAOYSA-N 0 0 381.229 5.231 50 0 GKAARN CCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002312997 570282232 /nfs/dbraw/zinc/28/22/32/570282232.db2.gz AJMLALAUJODVHB-UHFFFAOYSA-N 0 0 384.273 5.621 50 0 GKAARN O=C(C=C(c1ccccc1)c1ccccc1)NCC1(c2ccccc2)CCCC1 ZINC000002313606 570282286 /nfs/dbraw/zinc/28/22/86/570282286.db2.gz 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C[C@@H]1C[C@H](N(C(=O)c2ccc(Cl)cc2)c2ccccc2)c2ccccc2N1 ZINC000002345558 570283614 /nfs/dbraw/zinc/28/36/14/570283614.db2.gz YUIKJRARMVTDTA-ZHRRBRCNSA-N 0 0 376.887 5.932 50 0 GKAARN Cc1nc(Nc2nc3ccccc3c(-c3ccccc3)n2)[nH]c(=O)c1CCC(C)C ZINC000002345950 570283637 /nfs/dbraw/zinc/28/36/37/570283637.db2.gz SZNBIQFWDLKKLN-UHFFFAOYSA-N 0 0 399.498 5.021 50 0 GKAARN c1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccccn2)cc1 ZINC000002348024 570283650 /nfs/dbraw/zinc/28/36/50/570283650.db2.gz OCBOOXALSZKYSZ-UHFFFAOYSA-N 0 0 394.503 5.775 50 0 GKAARN CC[C@](C)(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1nc2ccccc2s1 ZINC000020886515 570283792 /nfs/dbraw/zinc/28/37/92/570283792.db2.gz IBEVQJPPMQTBCS-JOCHJYFZSA-N 0 0 395.528 5.242 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccc(Cl)c2)cc1 ZINC000002356740 570283841 /nfs/dbraw/zinc/28/38/41/570283841.db2.gz DMOGUBKPFGZBPE-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN O=C(Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1)Nc1ccc(F)cc1 ZINC000002353284 570283875 /nfs/dbraw/zinc/28/38/75/570283875.db2.gz NYHIOITWNMTKQX-UHFFFAOYSA-N 0 0 397.262 5.219 50 0 GKAARN Cc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)cc1 ZINC000006788213 570283947 /nfs/dbraw/zinc/28/39/47/570283947.db2.gz OPRRTTCQBBZMEN-UHFFFAOYSA-N 0 0 387.870 5.189 50 0 GKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)Nc1ccccc1F ZINC000002358875 570284255 /nfs/dbraw/zinc/28/42/55/570284255.db2.gz DRPAWNBTHQEWSH-UHFFFAOYSA-N 0 0 397.262 5.219 50 0 GKAARN CCc1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000002361456 570284309 /nfs/dbraw/zinc/28/43/09/570284309.db2.gz UYDRGOFKGZTZAS-UHFFFAOYSA-N 0 0 380.582 6.775 50 0 GKAARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000006810693 570284322 /nfs/dbraw/zinc/28/43/22/570284322.db2.gz LZUOWSCGEIGBPZ-UHFFFAOYSA-N 0 0 377.484 5.319 50 0 aggregator GKAARN Cn1c2ccccc2c(Sc2ccccc2)c(Sc2ccccc2)c1=O ZINC000002381296 570284960 /nfs/dbraw/zinc/28/49/60/570284960.db2.gz JVUODXWYGJNKAZ-UHFFFAOYSA-N 0 0 375.518 5.841 50 0 GKAARN CC(C)CCNC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000020938793 570285409 /nfs/dbraw/zinc/28/54/09/570285409.db2.gz NHQDLULDZMSBRA-JOCHJYFZSA-N 0 0 379.479 5.010 50 0 GKAARN CCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002387464 570285388 /nfs/dbraw/zinc/28/53/88/570285388.db2.gz LGSIVUFKFQMBAC-UHFFFAOYSA-N 0 0 398.300 6.011 50 0 GKAARN Cc1ccc(-c2csc3ncnc(SCc4cc(C)ccc4C)c23)cc1 ZINC000002383512 570285433 /nfs/dbraw/zinc/28/54/33/570285433.db2.gz ITJZALVSQISMDK-UHFFFAOYSA-N 0 0 376.550 6.576 50 0 GKAARN CCCCOc1ccccc1-c1cc(-c2nc(-c3cccc(Cl)c3)no2)n[nH]1 ZINC000020986682 570286038 /nfs/dbraw/zinc/28/60/38/570286038.db2.gz HBLFUBREFWNJSQ-UHFFFAOYSA-N 0 0 394.862 5.626 50 0 GKAARN FC(F)(F)c1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 ZINC000020993692 570286299 /nfs/dbraw/zinc/28/62/99/570286299.db2.gz KRWNMLFCNTXSED-OAQYLSRUSA-N 0 0 396.416 5.058 50 0 GKAARN Cc1ccc(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1C ZINC000012892944 570286529 /nfs/dbraw/zinc/28/65/29/570286529.db2.gz PIMQODYHYSASLK-XMMPIXPASA-N 0 0 376.475 5.102 50 0 GKAARN Cc1ccc(NC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1C ZINC000012892936 570286591 /nfs/dbraw/zinc/28/65/91/570286591.db2.gz PIMQODYHYSASLK-DEOSSOPVSA-N 0 0 376.475 5.102 50 0 GKAARN Cc1nn2c(ncc3c2C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1-c1ccccc1 ZINC000002442187 570287208 /nfs/dbraw/zinc/28/72/08/570287208.db2.gz OJXFPICAKRLPLM-NRFANRHFSA-N 0 0 395.506 5.741 50 0 GKAARN CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc2ccccc21 ZINC000002447576 570287308 /nfs/dbraw/zinc/28/73/08/570287308.db2.gz JTDBWSWXYPOJLI-UHFFFAOYSA-N 0 0 389.524 5.631 50 0 GKAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4cc(C)cc(C)c4)ccc3C(=O)O2)cc1 ZINC000011666568 570287609 /nfs/dbraw/zinc/28/76/09/570287609.db2.gz ZEZFAWWOGSQTKS-QHCPKHFHSA-N 0 0 385.463 5.318 50 0 GKAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccco2)cc1 ZINC000002448457 570287610 /nfs/dbraw/zinc/28/76/10/570287610.db2.gz WTFIIUFQDBZFDZ-RMKNXTFCSA-N 0 0 389.480 5.341 50 0 GKAARN Fc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 ZINC000002453315 570287634 /nfs/dbraw/zinc/28/76/34/570287634.db2.gz CDGPBLIVRJZIPF-UHFFFAOYSA-N 0 0 383.423 5.157 50 0 GKAARN CCc1nnc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)s1 ZINC000000669428 570287654 /nfs/dbraw/zinc/28/76/54/570287654.db2.gz CMQICXTZUUNNJX-UHFFFAOYSA-N 0 0 394.887 5.221 50 0 GKAARN CC(=O)C[C@@]1(C)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000102278059 570288152 /nfs/dbraw/zinc/28/81/52/570288152.db2.gz CEVXCHCMAWNTAB-WIMDODNTSA-N 0 0 389.282 5.715 50 0 GKAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000002496152 570288661 /nfs/dbraw/zinc/28/86/61/570288661.db2.gz NUCGVOIKWCUYDL-GLCJEOIMSA-N 0 0 383.535 6.798 50 0 GKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000002494817 570288672 /nfs/dbraw/zinc/28/86/72/570288672.db2.gz XDRDYQZZFHBHJS-UHFFFAOYSA-N 0 0 399.381 5.541 50 0 GKAARN CCCCCOc1ccc(-c2n[nH]c(=O)cc2NC2CCCCCCC2)cc1 ZINC000002506165 570288875 /nfs/dbraw/zinc/28/88/75/570288875.db2.gz NLHGQJFHQXWIBE-UHFFFAOYSA-N 0 0 383.536 5.531 50 0 GKAARN Cc1c(NC(=O)c2ccc(F)cc2C(F)(F)F)cnn1-c1cc(C)ccc1C ZINC000151840800 570289134 /nfs/dbraw/zinc/28/91/34/570289134.db2.gz SWIQEGVWVFTALN-UHFFFAOYSA-N 0 0 391.368 5.208 50 0 GKAARN CC(C)c1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)c(C(C)C)c1 ZINC000021242112 570289393 /nfs/dbraw/zinc/28/93/93/570289393.db2.gz URVOLWHUCDDIEW-HNNXBMFYSA-N 0 0 395.528 5.742 50 0 GKAARN Cc1ccc2nc(N=NCc3cccc4cccnc43)nc(-c3ccccc3)c2c1 ZINC000245284464 570289402 /nfs/dbraw/zinc/28/94/02/570289402.db2.gz RZHTZQRQQPFCMV-UHFFFAOYSA-N 0 0 389.462 5.599 50 0 GKAARN O=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002521068 570289640 /nfs/dbraw/zinc/28/96/40/570289640.db2.gz BMUZEHITTRVDTE-UHFFFAOYSA-N 0 0 386.278 6.471 50 0 GKAARN Cc1c2cc(Br)ccc2oc(=O)c1-c1cccc(Br)c1 ZINC000002529941 570289987 /nfs/dbraw/zinc/28/99/87/570289987.db2.gz MSAPFKXCMMSAFL-UHFFFAOYSA-N 0 0 394.062 5.293 50 0 GKAARN CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(Br)cc2)c1 ZINC000002527475 570289994 /nfs/dbraw/zinc/28/99/94/570289994.db2.gz KLBUYOMJLPBLBQ-UHFFFAOYSA-N 0 0 377.282 5.217 50 0 GKAARN COc1cccc2cc(-c3csc(NC(=O)c4ccccc4SC)n3)oc21 ZINC000010748795 570290296 /nfs/dbraw/zinc/29/02/96/570290296.db2.gz DRYCTTLHRYYLHE-UHFFFAOYSA-N 0 0 396.493 5.539 50 0 GKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000002539522 570290358 /nfs/dbraw/zinc/29/03/58/570290358.db2.gz VEFDENDTINXHPA-UHFFFAOYSA-N 0 0 378.375 5.514 50 0 GKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)oc21 ZINC000010749316 570290385 /nfs/dbraw/zinc/29/03/85/570290385.db2.gz AFWALJANSBSAAE-UHFFFAOYSA-N 0 0 398.871 5.861 50 0 GKAARN Brc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002557644 570290649 /nfs/dbraw/zinc/29/06/49/570290649.db2.gz DFXSMHFTDYOITI-UHFFFAOYSA-N 0 0 386.292 6.845 50 0 GKAARN C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1cc2ccccc2o1 ZINC000012910407 570290868 /nfs/dbraw/zinc/29/08/68/570290868.db2.gz IDLMSLPMCDBBTR-JTQLQIEISA-N 0 0 378.653 5.340 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2C)c1 ZINC000000683235 570290991 /nfs/dbraw/zinc/29/09/91/570290991.db2.gz BZWJRDIAADVVGL-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/29/29/16/570292916.db2.gz QHBISZNPUWNNCO-UHFFFAOYSA-N 0 0 397.906 5.474 50 0 GKAARN CC(C)c1ccc(NC(=O)N2CCS[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000000696572 570292934 /nfs/dbraw/zinc/29/29/34/570292934.db2.gz XUVHLAKCBSNBEQ-SFHVURJKSA-N 0 0 394.462 6.108 50 0 GKAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)Cc1nc2ccccc2s1 ZINC000012916246 570292976 /nfs/dbraw/zinc/29/29/76/570292976.db2.gz SCAYLHWXABFZLM-NSHDSACASA-N 0 0 394.327 5.062 50 0 GKAARN CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)CNC(=O)NC(C)(C)C ZINC000102932093 570293224 /nfs/dbraw/zinc/29/32/24/570293224.db2.gz SFVUBZKBBOIZLG-SDUSCBPUSA-N 0 0 384.608 5.918 50 0 GKAARN CCOC(=O)n1c(-c2cc3ccccc3n2C(=O)OCC)cc2ccccc21 ZINC000000692254 570293295 /nfs/dbraw/zinc/29/32/95/570293295.db2.gz RPIZZKMHTDSMHN-UHFFFAOYSA-N 0 0 376.412 5.272 50 0 GKAARN CC(C)CC(=O)N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000002666989 570294551 /nfs/dbraw/zinc/29/45/51/570294551.db2.gz DHFGSLWTLDEOHE-LBPRGKRZSA-N 0 0 392.541 5.264 50 0 GKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Cl)cc3F)cs2)cc1 ZINC000012917532 570293669 /nfs/dbraw/zinc/29/36/69/570293669.db2.gz KOIBRPNVYHLART-UHFFFAOYSA-N 0 0 390.867 5.004 50 0 GKAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)N(C)C(C)C ZINC000034672428 570293744 /nfs/dbraw/zinc/29/37/44/570293744.db2.gz NNBYNKAATUBOJA-UHFFFAOYSA-N 0 0 391.515 5.081 50 0 GKAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1F)Nc1ccc(F)cc1 ZINC000032944431 570294126 /nfs/dbraw/zinc/29/41/26/570294126.db2.gz GUUFEAJLWSDOLL-UHFFFAOYSA-N 0 0 394.446 5.779 50 0 GKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Cl)cc1 ZINC000002669386 570294480 /nfs/dbraw/zinc/29/44/80/570294480.db2.gz FHWXIKHPBWYPGD-UHFFFAOYSA-N 0 0 396.821 5.658 50 0 GKAARN Cc1ccc(C(=O)N[C@H](Nc2ccc(C)c(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000002672798 570294751 /nfs/dbraw/zinc/29/47/51/570294751.db2.gz IWEBQKLKSVFMPD-KRWDZBQOSA-N 0 0 385.722 5.150 50 0 GKAARN O=C(CSCc1csc(-c2ccco2)n1)Nc1ccccc1C(F)(F)F ZINC000012920871 570294846 /nfs/dbraw/zinc/29/48/46/570294846.db2.gz 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570296055 /nfs/dbraw/zinc/29/60/55/570296055.db2.gz ZJSDXQGZKUBXIK-INIZCTEOSA-N 0 0 399.368 5.446 50 0 GKAARN Cn1c(=S)n(CN2CCC[C@H]2c2ccccc2)nc1-c1ccccc1Cl ZINC000012924603 570296133 /nfs/dbraw/zinc/29/61/33/570296133.db2.gz OILQRYUVBXLNSX-SFHVURJKSA-N 0 0 384.936 5.066 50 0 GKAARN Cc1nn2c(nc(C)cc2Nc2ccc(C)c(Cl)c2)c1-c1ccc(F)cc1 ZINC000021798851 570296198 /nfs/dbraw/zinc/29/61/98/570296198.db2.gz KXAKPPTWSLTKEY-UHFFFAOYSA-N 0 0 380.854 5.858 50 0 GKAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(C2SCCS2)cc1 ZINC000021247696 570296439 /nfs/dbraw/zinc/29/64/39/570296439.db2.gz GYLRLQBICSHKBS-UHFFFAOYSA-N 0 0 390.580 5.603 50 0 GKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)cc(Cl)c1 ZINC000014213012 570296673 /nfs/dbraw/zinc/29/66/73/570296673.db2.gz QYRWGACJEIPHBT-UHFFFAOYSA-N 0 0 397.208 5.498 50 0 GKAARN Cc1c(C)n(-c2ccccc2C)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000021801132 570296779 /nfs/dbraw/zinc/29/67/79/570296779.db2.gz AQYFBWVVMASZLM-UHFFFAOYSA-N 0 0 387.874 5.314 50 0 GKAARN CCc1ccc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)cc1 ZINC000002739995 570297222 /nfs/dbraw/zinc/29/72/22/570297222.db2.gz GLAOYUVCIFCOEG-UHFFFAOYSA-N 0 0 386.539 6.307 50 0 GKAARN O=C(Nc1ccccc1F)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002738557 570297257 /nfs/dbraw/zinc/29/72/57/570297257.db2.gz GBTASVXPSPXNHL-UHFFFAOYSA-N 0 0 376.818 5.947 50 0 GKAARN CCc1cccc(CC)c1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002740231 570297273 /nfs/dbraw/zinc/29/72/73/570297273.db2.gz RNULQRGINILWBX-HSZRJFAPSA-N 0 0 375.537 6.284 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1C ZINC000002738435 570297280 /nfs/dbraw/zinc/29/72/80/570297280.db2.gz MYAJLRWEEMTGAW-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000002737206 570297357 /nfs/dbraw/zinc/29/73/57/570297357.db2.gz UCXLDBREHQUMSC-UHFFFAOYSA-N 0 0 386.882 6.370 50 0 GKAARN CCCCCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccccc1-2 ZINC000002745118 570297512 /nfs/dbraw/zinc/29/75/12/570297512.db2.gz 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CCCOc1ccc([C@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)cc1OCCC ZINC000021925590 570299598 /nfs/dbraw/zinc/29/95/98/570299598.db2.gz OWEYRVOFNLZHQD-UGSOOPFHSA-N 0 0 388.335 5.025 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)CCCCC(=O)Nc1cc(Cl)ccc1C ZINC000002767196 570299855 /nfs/dbraw/zinc/29/98/55/570299855.db2.gz LMQNLVZDLQAZDG-UHFFFAOYSA-N 0 0 393.314 5.748 50 0 GKAARN O=C(NC1CCCCCCC1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002769374 570299877 /nfs/dbraw/zinc/29/98/77/570299877.db2.gz IUCZCBLWTSCFEC-UHFFFAOYSA-N 0 0 398.457 5.177 50 0 GKAARN Cc1nnc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)s1 ZINC000002773628 570300372 /nfs/dbraw/zinc/30/03/72/570300372.db2.gz JNTFUSBVFNPKAN-UHFFFAOYSA-N 0 0 391.905 5.023 50 0 GKAARN O=C(NCCCOC1CCCCC1)c1ccccc1SCc1cccs1 ZINC000021971883 570300429 /nfs/dbraw/zinc/30/04/29/570300429.db2.gz HFMCGCLHYBCTHB-UHFFFAOYSA-N 0 0 389.586 5.510 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002774021 570300549 /nfs/dbraw/zinc/30/05/49/570300549.db2.gz WQSHLRPXMSSDIC-IBGZPJMESA-N 0 0 388.319 6.466 50 0 GKAARN COc1cc(OC)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000002774104 570300740 /nfs/dbraw/zinc/30/07/40/570300740.db2.gz NJQQVATZQJBBBE-HZPDHXFCSA-N 0 0 387.907 5.397 50 0 GKAARN COc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1OC ZINC000000711097 570301260 /nfs/dbraw/zinc/30/12/60/570301260.db2.gz QLOQCRHGXXPUPU-HXUWFJFHSA-N 0 0 395.886 5.783 50 0 GKAARN C[C@H](SC1=Nc2ccccc2CS1)C(=O)NCc1ccccc1Cl ZINC000022022502 570302107 /nfs/dbraw/zinc/30/21/07/570302107.db2.gz SMAWPCXRCGVWCP-LBPRGKRZSA-N 0 0 376.934 5.012 50 0 GKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccoc1)CC2 ZINC000022023294 570302267 /nfs/dbraw/zinc/30/22/67/570302267.db2.gz GDJYQGRQSNHDQF-QFIPXVFZSA-N 0 0 383.875 5.098 50 0 GKAARN Cc1cc(C(=O)CSC2=Nc3ccccc3CS2)c(C)n1CC(F)(F)F ZINC000022022199 570302276 /nfs/dbraw/zinc/30/22/76/570302276.db2.gz YUIYRACXQLRFOM-UHFFFAOYSA-N 0 0 398.475 5.518 50 0 GKAARN Cc1cc(C)nc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2C(C)C)n1 ZINC000012932624 570303343 /nfs/dbraw/zinc/30/33/43/570303343.db2.gz NRQACABJXZSPGD-UHFFFAOYSA-N 0 0 394.331 5.391 50 0 GKAARN O=C1CS[C@H](c2ccccc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000000717978 570303493 /nfs/dbraw/zinc/30/34/93/570303493.db2.gz GRLUSDHMLITRQQ-HSZRJFAPSA-N 0 0 397.503 5.314 50 0 GKAARN CCCOc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)cc1OC ZINC000034712561 570303526 /nfs/dbraw/zinc/30/35/26/570303526.db2.gz RAKZRCKEZUAGOW-UHFFFAOYSA-N 0 0 382.485 5.168 50 0 GKAARN CC(C)n1c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21 ZINC000022059607 570303627 /nfs/dbraw/zinc/30/36/27/570303627.db2.gz VPXDEUFAXJFWBG-MCBHFWOFSA-N 0 0 393.458 5.108 50 0 in-vitro GKAARN CCCN(Cc1ncc(-c2ccc(F)cc2)o1)Cc1nnc(-c2cccs2)o1 ZINC000022060737 570303630 /nfs/dbraw/zinc/30/36/30/570303630.db2.gz HBRAVGFFQLKATM-UHFFFAOYSA-N 0 0 398.463 5.004 50 0 GKAARN Cc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1Cl ZINC000010816039 570303929 /nfs/dbraw/zinc/30/39/29/570303929.db2.gz CHZBWLAFUHUZKU-UHFFFAOYSA-N 0 0 384.888 5.239 50 0 GKAARN O=C(Cc1ccccc1)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000002811503 570304097 /nfs/dbraw/zinc/30/40/97/570304097.db2.gz FSTADVGMTVZYMN-UHFFFAOYSA-N 0 0 378.884 5.798 50 0 GKAARN Brc1ccc(-c2csc(N3CC[C@H](c4ccccc4)C3)n2)cc1 ZINC000002812098 570304100 /nfs/dbraw/zinc/30/41/00/570304100.db2.gz VVPPEWSHABGJGH-INIZCTEOSA-N 0 0 385.330 5.567 50 0 GKAARN O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000000722303 570304558 /nfs/dbraw/zinc/30/45/58/570304558.db2.gz UEDBKIASLOZVRK-UHFFFAOYSA-N 0 0 390.508 5.060 50 0 GKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccccc1F ZINC000002824749 570304954 /nfs/dbraw/zinc/30/49/54/570304954.db2.gz ICRLQGZHUNLQER-OAQYLSRUSA-N 0 0 393.439 6.763 50 0 GKAARN CC[C@H](C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccccc1 ZINC000002828396 570305286 /nfs/dbraw/zinc/30/52/86/570305286.db2.gz YMGFFYPQMCECAG-FQEVSTJZSA-N 0 0 386.520 6.404 50 0 GKAARN CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1 ZINC000002834808 570305721 /nfs/dbraw/zinc/30/57/21/570305721.db2.gz HKOANUJOSMODAD-QNGOZBTKSA-N 0 0 399.446 5.009 50 0 GKAARN Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3cccc(F)c3)c3cc(C)ccc32)cc1 ZINC000002834447 570305745 /nfs/dbraw/zinc/30/57/45/570305745.db2.gz WEFYLRFNYYBUNY-JPYJTQIMSA-N 0 0 388.486 6.035 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000575414952 570305837 /nfs/dbraw/zinc/30/58/37/570305837.db2.gz TVKGMKNAVXEXJW-MRXNPFEDSA-N 0 0 378.906 5.383 50 0 GKAARN CC(=O)Nc1ccc2nc(SCc3ccccc3Br)sc2c1 ZINC000002835647 570306023 /nfs/dbraw/zinc/30/60/23/570306023.db2.gz PRRPKQXYKZEJRP-UHFFFAOYSA-N 0 0 393.331 5.310 50 0 GKAARN CC(=O)Nc1ccc2nc(SCc3cccc(Br)c3)sc2c1 ZINC000002836487 570306050 /nfs/dbraw/zinc/30/60/50/570306050.db2.gz VUWFSBZMSJHGLX-UHFFFAOYSA-N 0 0 393.331 5.310 50 0 GKAARN CC(=O)Nc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000002835487 570306059 /nfs/dbraw/zinc/30/60/59/570306059.db2.gz MKYMUZPBHYFWBQ-UHFFFAOYSA-N 0 0 394.544 5.030 50 0 GKAARN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3ccccc3OC)c21 ZINC000002837723 570306422 /nfs/dbraw/zinc/30/64/22/570306422.db2.gz XPWNFENLIUHIGX-UHFFFAOYSA-N 0 0 391.389 5.036 50 0 GKAARN Cc1nnc(SCc2ccc(Br)cc2)n1-c1ccc(C)c(C)c1 ZINC000002838287 570306762 /nfs/dbraw/zinc/30/67/62/570306762.db2.gz ANIKKNKSIAOFDE-UHFFFAOYSA-N 0 0 388.334 5.247 50 0 GKAARN Cc1ccc(NC=Cc2nc(SCc3ccc(Cl)cc3)nnc2C)cc1 ZINC000100142796 570307039 /nfs/dbraw/zinc/30/70/39/570307039.db2.gz ZHYQOKQCELVNAW-VAWYXSNFSA-N 0 0 382.920 5.517 50 0 GKAARN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccc(C)c1 ZINC000002841368 570307063 /nfs/dbraw/zinc/30/70/63/570307063.db2.gz IDPPQMNVNOVGHJ-UHFFFAOYSA-N 0 0 394.544 5.128 50 0 GKAARN CCCCN(CCCC)C(=O)c1cccc(C(=O)N(CCCC)CCCC)c1 ZINC000005419442 570307144 /nfs/dbraw/zinc/30/71/44/570307144.db2.gz HKFAYUAUYZEZBF-UHFFFAOYSA-N 0 0 388.596 5.771 50 0 GKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(F)(F)F ZINC000002843044 570307299 /nfs/dbraw/zinc/30/72/99/570307299.db2.gz XWZCVGSXDSLAEM-UHFFFAOYSA-N 0 0 394.245 5.884 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2oc3ccc(C)cc3c2C)sc2c1CCC2 ZINC000002843061 570307427 /nfs/dbraw/zinc/30/74/27/570307427.db2.gz ATTIZYIMMOMIMN-UHFFFAOYSA-N 0 0 383.469 5.029 50 0 GKAARN Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000033403804 570307512 /nfs/dbraw/zinc/30/75/12/570307512.db2.gz RPQBLARKKXORJR-PXNMLYILSA-N 0 0 393.295 5.408 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1-c1ccccc1 ZINC000002845033 570307605 /nfs/dbraw/zinc/30/76/05/570307605.db2.gz PNKRUZIOGNSPDI-UHFFFAOYSA-N 0 0 375.777 6.278 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000022215881 570307590 /nfs/dbraw/zinc/30/75/90/570307590.db2.gz MNYADUCCNWDIHH-UHFFFAOYSA-N 0 0 382.419 6.110 50 0 GKAARN Cc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000002845634 570307672 /nfs/dbraw/zinc/30/76/72/570307672.db2.gz UNRYWXJISJPETI-SANMLTNESA-N 0 0 377.487 5.766 50 0 GKAARN Brc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1 ZINC000002845423 570307684 /nfs/dbraw/zinc/30/76/84/570307684.db2.gz BVQPDNHAHHGJBA-UHFFFAOYSA-N 0 0 377.241 5.833 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(OC)cc3)ccc21 ZINC000002846648 570308004 /nfs/dbraw/zinc/30/80/04/570308004.db2.gz SZARPCVOYDXJTE-MRXNPFEDSA-N 0 0 388.467 5.229 50 0 GKAARN O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000002846400 570308103 /nfs/dbraw/zinc/30/81/03/570308103.db2.gz XVNCXQGOFRRUAP-UHFFFAOYSA-N 0 0 387.870 5.123 50 0 GKAARN COc1cccc(OC)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002848548 570308319 /nfs/dbraw/zinc/30/83/19/570308319.db2.gz ZBXHQQFJEASMLN-UHFFFAOYSA-N 0 0 383.831 5.402 50 0 GKAARN Cc1ccc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000002849274 570308340 /nfs/dbraw/zinc/30/83/40/570308340.db2.gz PWDNDBLNTPXRHB-UHFFFAOYSA-N 0 0 390.321 5.381 50 0 GKAARN CCCCCc1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 ZINC000002851360 570308783 /nfs/dbraw/zinc/30/87/83/570308783.db2.gz NKJRQBLNCDJJQB-LJQANCHMSA-N 0 0 397.569 5.743 50 0 GKAARN CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012935058 570308852 /nfs/dbraw/zinc/30/88/52/570308852.db2.gz DFVVYUNSTIWYEF-IBGZPJMESA-N 0 0 383.879 5.126 50 0 GKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCc2ccccc2)c(C(C)C)c1 ZINC000000728588 570308977 /nfs/dbraw/zinc/30/89/77/570308977.db2.gz HUWVYVHOHHDCFF-UHFFFAOYSA-N 0 0 387.589 5.578 50 0 GKAARN COc1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC000012935172 570309290 /nfs/dbraw/zinc/30/92/90/570309290.db2.gz IRIJPYLSEXRTPE-UHFFFAOYSA-N 0 0 393.468 5.137 50 0 GKAARN O=C(CSCc1c(Cl)cccc1Cl)NCCSc1ccccc1 ZINC000002854595 570309407 /nfs/dbraw/zinc/30/94/07/570309407.db2.gz IPDYPRLJHOXGMW-UHFFFAOYSA-N 0 0 386.369 5.135 50 0 GKAARN CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)OC)cc1Cl ZINC000002853448 570309532 /nfs/dbraw/zinc/30/95/32/570309532.db2.gz KYSVJLSTWIZFMW-UHFFFAOYSA-N 0 0 396.270 5.211 50 0 GKAARN O=C(CSc1ccccc1)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000002856093 570309781 /nfs/dbraw/zinc/30/97/81/570309781.db2.gz JIHDDXOQMADLIK-UHFFFAOYSA-N 0 0 396.899 5.323 50 0 GKAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000002855508 570309854 /nfs/dbraw/zinc/30/98/54/570309854.db2.gz FJUNWXCXWMYUGN-QGZVFWFLSA-N 0 0 379.550 6.098 50 0 GKAARN CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004834561 570310280 /nfs/dbraw/zinc/31/02/80/570310280.db2.gz VRWOGABCCOGONY-AHWVRZQESA-N 0 0 398.506 6.108 50 0 GKAARN CCc1ccccc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000004835090 570310323 /nfs/dbraw/zinc/31/03/23/570310323.db2.gz WRCJHLPHMZRUII-UHFFFAOYSA-N 0 0 383.923 5.128 50 0 GKAARN COc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC ZINC000002857813 570310331 /nfs/dbraw/zinc/31/03/31/570310331.db2.gz QMMZUKCQFXPRDH-UHFFFAOYSA-N 0 0 375.639 5.308 50 0 GKAARN Cc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1C ZINC000004835088 570310338 /nfs/dbraw/zinc/31/03/38/570310338.db2.gz APZVUVBLZJLRNJ-UHFFFAOYSA-N 0 0 383.923 5.182 50 0 GKAARN CC[C@H](C)c1ccc([C@H](CC)NC(=S)Nc2ccc(OC)c(OC)c2)cc1 ZINC000002858924 570310803 /nfs/dbraw/zinc/31/08/03/570310803.db2.gz GMPNBOVHWZNVLT-KXBFYZLASA-N 0 0 386.561 5.655 50 0 GKAARN CC[C@@H](C)c1ccc([C@@H](CC)NC(=S)Nc2ccc(OC)c(OC)c2)cc1 ZINC000002858921 570310810 /nfs/dbraw/zinc/31/08/10/570310810.db2.gz GMPNBOVHWZNVLT-DNVCBOLYSA-N 0 0 386.561 5.655 50 0 GKAARN Cc1nnc(SCc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)s1 ZINC000002859463 570310982 /nfs/dbraw/zinc/31/09/82/570310982.db2.gz LVYNCLLFUHKHJI-UHFFFAOYSA-N 0 0 389.933 5.353 50 0 GKAARN CC(C)OC(=O)c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000002861194 570311349 /nfs/dbraw/zinc/31/13/49/570311349.db2.gz FUFHJCHKIOQVAV-UHFFFAOYSA-N 0 0 397.478 5.226 50 0 GKAARN COc1ccccc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000002860881 570311363 /nfs/dbraw/zinc/31/13/63/570311363.db2.gz AQJNFJWYELRWGC-UHFFFAOYSA-N 0 0 394.430 5.909 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000002861775 570311651 /nfs/dbraw/zinc/31/16/51/570311651.db2.gz WZRZYDHVUWCVOM-UHFFFAOYSA-N 0 0 394.883 5.878 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1C ZINC000002862234 570311683 /nfs/dbraw/zinc/31/16/83/570311683.db2.gz KVXRLSIVXKSGJB-UHFFFAOYSA-N 0 0 387.302 5.442 50 0 GKAARN CCCCn1cc([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 ZINC000002862038 570311711 /nfs/dbraw/zinc/31/17/11/570311711.db2.gz CJKVAAQHGWEPBP-QFIPXVFZSA-N 0 0 396.490 5.642 50 0 GKAARN CC(C)CCN(CCC(C)C)c1nc(-c2ccc(F)cc2F)nc2ccccc21 ZINC000023328445 570311794 /nfs/dbraw/zinc/31/17/94/570311794.db2.gz WYMHRWREBXTYGA-UHFFFAOYSA-N 0 0 397.513 6.474 50 0 GKAARN Cc1cc(OCc2nnc(SC/C=C/c3ccccc3)n2C)ccc1Cl ZINC000002863215 570312055 /nfs/dbraw/zinc/31/20/55/570312055.db2.gz PVDQEXZZNAXSSG-RMKNXTFCSA-N 0 0 385.920 5.161 50 0 GKAARN C[C@H]1CCCN(c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)C1 ZINC000023328800 570312418 /nfs/dbraw/zinc/31/24/18/570312418.db2.gz UKSTYYJFVNNQLF-FDDCHVKYSA-N 0 0 399.538 5.279 50 0 GKAARN CCC[C@H](C)c1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 ZINC000002865450 570312444 /nfs/dbraw/zinc/31/24/44/570312444.db2.gz JOHHXPAXPIQBIF-ZDUSSCGKSA-N 0 0 379.485 5.318 50 0 GKAARN Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccnc2)cc1 ZINC000002865778 570312553 /nfs/dbraw/zinc/31/25/53/570312553.db2.gz HBYIPRNHSRLSPW-RMKNXTFCSA-N 0 0 384.508 5.443 50 0 GKAARN Cc1ccc2sc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 ZINC000002868463 570313211 /nfs/dbraw/zinc/31/32/11/570313211.db2.gz PAIFQTSGIWFLPG-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN O=C(c1ccccc1Cl)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575442841 570313218 /nfs/dbraw/zinc/31/32/18/570313218.db2.gz GDZJETDNYMCVSP-UHFFFAOYSA-N 0 0 388.858 5.712 50 0 GKAARN Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccc(C)cc32)no1 ZINC000002867743 570313248 /nfs/dbraw/zinc/31/32/48/570313248.db2.gz LBUMKMIVJDQDNB-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)c1 ZINC000002868888 570313446 /nfs/dbraw/zinc/31/34/46/570313446.db2.gz SFWMWEQYGDVXPQ-UHFFFAOYSA-N 0 0 398.865 5.417 50 0 GKAARN CC1(C)Oc2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2O1 ZINC000002873768 570314186 /nfs/dbraw/zinc/31/41/86/570314186.db2.gz JNHPIKGXGJPTJK-UHFFFAOYSA-N 0 0 391.492 5.739 50 0 GKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000012322336 570314214 /nfs/dbraw/zinc/31/42/14/570314214.db2.gz GEHLVYZDIDIKKU-UHFFFAOYSA-N 0 0 395.915 5.226 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000022357862 570314311 /nfs/dbraw/zinc/31/43/11/570314311.db2.gz FTZHWHOAMRTKLT-OAQYLSRUSA-N 0 0 376.456 5.226 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H](CC(C)C)n2cccc2)c2ccccc12 ZINC000575443570 570314462 /nfs/dbraw/zinc/31/44/62/570314462.db2.gz QDYOVDQBKCOOPP-GOTSBHOMSA-N 0 0 390.527 5.601 50 0 GKAARN COc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)c(OC)cc1Cl ZINC000022374993 570314601 /nfs/dbraw/zinc/31/46/01/570314601.db2.gz VQRKASLXPPBRSK-UHFFFAOYSA-N 0 0 395.842 5.438 50 0 GKAARN Oc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000002876972 570314995 /nfs/dbraw/zinc/31/49/95/570314995.db2.gz QHRWPVJUHHWJGT-UHFFFAOYSA-N 0 0 391.268 5.879 50 0 biogenic GKAARN COc1ccccc1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000575444393 570315146 /nfs/dbraw/zinc/31/51/46/570315146.db2.gz HVWLTVXPHAJSGY-UHFFFAOYSA-N 0 0 397.858 5.189 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)cc2Cl)sc2c1CCCC2 ZINC000002878284 570315191 /nfs/dbraw/zinc/31/51/91/570315191.db2.gz YODAVBQYXTZJIR-UHFFFAOYSA-N 0 0 377.893 5.018 50 0 GKAARN CCCCc1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 ZINC000002877749 570315214 /nfs/dbraw/zinc/31/52/14/570315214.db2.gz XZFOCIOKAMKTPK-SFHVURJKSA-N 0 0 383.542 5.353 50 0 GKAARN Nc1c(-c2ccccc2)cnc2c(-c3ccccc3)c(COc3ccccc3)nn21 ZINC000002881973 570315653 /nfs/dbraw/zinc/31/56/53/570315653.db2.gz AFKHABGDESMZRJ-UHFFFAOYSA-N 0 0 392.462 5.225 50 0 GKAARN O=C(Nc1cccc(Br)c1)c1ccccc1CCc1ccccc1 ZINC000002881153 570315732 /nfs/dbraw/zinc/31/57/32/570315732.db2.gz UNEKBZPVLIGVGQ-UHFFFAOYSA-N 0 0 380.285 5.487 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000002883218 570316084 /nfs/dbraw/zinc/31/60/84/570316084.db2.gz HDWAVTNAYCCUCZ-UHFFFAOYSA-N 0 0 392.842 5.047 50 0 GKAARN Cc1ccc(C)c(NC(=O)C2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1 ZINC000002883727 570316097 /nfs/dbraw/zinc/31/60/97/570316097.db2.gz NLAMMUDPXWEDSY-UHFFFAOYSA-N 0 0 378.516 5.304 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C)Nc1ccccc1-2 ZINC000002882464 570316133 /nfs/dbraw/zinc/31/61/33/570316133.db2.gz XZFLZBWIEVOPDA-IBGZPJMESA-N 0 0 378.501 5.242 50 0 GKAARN COc1ccc([C@H](CC(=O)c2ccc(C)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000002884885 570316351 /nfs/dbraw/zinc/31/63/51/570316351.db2.gz INEAANOWKXCWFW-QFIPXVFZSA-N 0 0 379.887 6.083 50 0 GKAARN c1c2ccccc2oc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000002884788 570316406 /nfs/dbraw/zinc/31/64/06/570316406.db2.gz XFCSISJESKOJKP-UHFFFAOYSA-N 0 0 383.476 5.973 50 0 GKAARN Cc1cc(-c2ccccc2)nc(SCC(=O)c2ccc(Br)cc2)n1 ZINC000002886560 570316524 /nfs/dbraw/zinc/31/65/24/570316524.db2.gz MGCWHSKKCHTHGG-UHFFFAOYSA-N 0 0 399.313 5.190 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000002886090 570316664 /nfs/dbraw/zinc/31/66/64/570316664.db2.gz IGUSDILDFPZHCE-UHFFFAOYSA-N 0 0 389.564 6.664 50 0 GKAARN COc1ccc(-c2nc(CSc3ccccc3C(C)(C)C)cs2)cc1OC ZINC000023330868 570316973 /nfs/dbraw/zinc/31/69/73/570316973.db2.gz XBMGFPZECMNDIQ-UHFFFAOYSA-N 0 0 399.581 6.417 50 0 GKAARN COc1ccc(CNc2cc(-c3ccccc3)ccc2OC)cc1Br ZINC000002894011 570317332 /nfs/dbraw/zinc/31/73/32/570317332.db2.gz XZYCYKANNQVFIK-UHFFFAOYSA-N 0 0 398.300 5.745 50 0 GKAARN CC(C)(C)[C@@H](OP(=O)(Oc1ccccc1)Oc1ccccc1)C(F)(F)F ZINC000002900689 570317396 /nfs/dbraw/zinc/31/73/96/570317396.db2.gz LIZRIFAIQWEYEC-MRXNPFEDSA-N 0 0 388.322 6.246 50 0 GKAARN CCOc1cccc(N[C@@H](c2ccccc2)P2(=O)OCC(C)(C)CO2)c1 ZINC000002895752 570317401 /nfs/dbraw/zinc/31/74/01/570317401.db2.gz KDTWVMOPMXYFDZ-LJQANCHMSA-N 0 0 375.405 5.462 50 0 GKAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000006186592 570317491 /nfs/dbraw/zinc/31/74/91/570317491.db2.gz VCUNISSUJQDITL-UHFFFAOYSA-N 0 0 376.481 5.144 50 0 GKAARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1 ZINC000022460194 570317534 /nfs/dbraw/zinc/31/75/34/570317534.db2.gz 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/nfs/dbraw/zinc/31/91/33/570319133.db2.gz PCERKSBIDOORLV-UHFFFAOYSA-N 0 0 399.462 5.066 50 0 GKAARN CC(C)(C)c1cc(C(C)(C)C)c(O)c2oc(-c3ccc(Cl)cc3Cl)nc21 ZINC000002945499 570319152 /nfs/dbraw/zinc/31/91/52/570319152.db2.gz YNSAXFZNOXTMMW-UHFFFAOYSA-N 0 0 392.326 7.102 50 0 GKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000002946169 570319444 /nfs/dbraw/zinc/31/94/44/570319444.db2.gz YMTNEZOPOTVFHE-ZHZULCJRSA-N 0 0 375.811 5.477 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002950940 570319455 /nfs/dbraw/zinc/31/94/55/570319455.db2.gz CCGKBWKPPIGCGJ-UHFFFAOYSA-N 0 0 397.702 5.639 50 0 GKAARN CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1C ZINC000023332351 570319528 /nfs/dbraw/zinc/31/95/28/570319528.db2.gz SJHIESOJEBEDJE-MRXNPFEDSA-N 0 0 393.508 5.637 50 0 GKAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(F)cc1 ZINC000007164065 570319475 /nfs/dbraw/zinc/31/94/75/570319475.db2.gz ZNMBVMBQLWHBQJ-ZDUSSCGKSA-N 0 0 384.476 5.537 50 0 GKAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl ZINC000002950960 570319536 /nfs/dbraw/zinc/31/95/36/570319536.db2.gz KWZIGDXUWSXAGW-UHFFFAOYSA-N 0 0 397.702 5.639 50 0 GKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002953121 570319754 /nfs/dbraw/zinc/31/97/54/570319754.db2.gz PNYLCGFYZQOPSN-UHFFFAOYSA-N 0 0 393.486 6.036 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1SCC(F)(F)F ZINC000022522567 570319800 /nfs/dbraw/zinc/31/98/00/570319800.db2.gz JDQCYPFBMLCPIF-UHFFFAOYSA-N 0 0 380.313 5.007 50 0 GKAARN O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1Cl ZINC000002957171 570319811 /nfs/dbraw/zinc/31/98/11/570319811.db2.gz OKYUJZQDBSZTCU-UHFFFAOYSA-N 0 0 390.895 6.383 50 0 aggregator GKAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C ZINC000022521294 570319976 /nfs/dbraw/zinc/31/99/76/570319976.db2.gz ZKFUESKLDKRHNK-UHFFFAOYSA-N 0 0 393.468 5.219 50 0 GKAARN Clc1ccc(-c2oc(-c3ccccc3)nc2SCc2ccccc2)cc1 ZINC000585152289 570319984 /nfs/dbraw/zinc/31/99/84/570319984.db2.gz KZLKMPUFWJQMGW-UHFFFAOYSA-N 0 0 377.896 6.954 50 0 GKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000002960469 570320150 /nfs/dbraw/zinc/32/01/50/570320150.db2.gz RRTMEPCCNXKWQD-RVDMUPIBSA-N 0 0 396.490 6.579 50 0 GKAARN Cc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C ZINC000575473318 570320192 /nfs/dbraw/zinc/32/01/92/570320192.db2.gz YKWWDZPPADGDKR-OAHLLOKOSA-N 0 0 375.468 5.054 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000002957714 570320189 /nfs/dbraw/zinc/32/01/89/570320189.db2.gz JXYJXIFBZNKALM-HXUWFJFHSA-N 0 0 383.278 5.760 50 0 aggregator GKAARN Cc1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)cc1 ZINC000575473325 570320354 /nfs/dbraw/zinc/32/03/54/570320354.db2.gz ZYYBGLNWMRGQBR-OAHLLOKOSA-N 0 0 375.468 5.054 50 0 GKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000002970506 570320785 /nfs/dbraw/zinc/32/07/85/570320785.db2.gz CVMKJNJOJVZZJA-UHFFFAOYSA-N 0 0 393.314 5.310 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1cccc(F)c1 ZINC000023333329 570320914 /nfs/dbraw/zinc/32/09/14/570320914.db2.gz QWJOZINHBWSWPJ-AWEZNQCLSA-N 0 0 397.471 5.468 50 0 GKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2cc1C ZINC000023333349 570321053 /nfs/dbraw/zinc/32/10/53/570321053.db2.gz PPVCFDKJTKTGDA-JNAXZKDPSA-N 0 0 392.568 6.135 50 0 GKAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002970752 570321196 /nfs/dbraw/zinc/32/11/96/570321196.db2.gz VYGHLRVAJSMULU-UHFFFAOYSA-N 0 0 378.177 5.338 50 0 GKAARN COc1ccc2c(c1)-c1sc(C(=O)N(Cc3ccccc3)C(C)C)cc1CC2 ZINC000023334159 570321412 /nfs/dbraw/zinc/32/14/12/570321412.db2.gz XPQGANSYCAOJFG-UHFFFAOYSA-N 0 0 391.536 5.573 50 0 GKAARN Cn1c2ccccc2nc1SCc1nc2ccccc2n1Cc1ccccc1 ZINC000002978675 570321527 /nfs/dbraw/zinc/32/15/27/570321527.db2.gz WHKFHILJJFAUNX-UHFFFAOYSA-N 0 0 384.508 5.264 50 0 GKAARN CCOc1cccc(-c2nc3ccccc3c(=O)n2-c2ccc([C@@H](C)CC)cc2)c1 ZINC000023335296 570321846 /nfs/dbraw/zinc/32/18/46/570321846.db2.gz IRQYZVLIHBMEKK-SFHVURJKSA-N 0 0 398.506 5.965 50 0 GKAARN CCOc1ccc(NC[C@H](O)CN2c3ccccc3Sc3ccccc32)cc1 ZINC000002979973 570322102 /nfs/dbraw/zinc/32/21/02/570322102.db2.gz IOTQCHCYDGUCGP-SFHVURJKSA-N 0 0 392.524 5.161 50 0 GKAARN O[C@H](CNc1cccc(Cl)c1)CN1c2ccccc2Sc2ccccc21 ZINC000002981812 570322195 /nfs/dbraw/zinc/32/21/95/570322195.db2.gz LCBNSUYQWHCTFW-QGZVFWFLSA-N 0 0 382.916 5.416 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 ZINC000002982166 570322210 /nfs/dbraw/zinc/32/22/10/570322210.db2.gz HBERGVNQVRLPAF-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN Cc1cccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1C ZINC000002982093 570322214 /nfs/dbraw/zinc/32/22/14/570322214.db2.gz NVVCLTCITVAXAW-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc2ccccc21 ZINC000002980347 570322232 /nfs/dbraw/zinc/32/22/32/570322232.db2.gz USNHVEPXLUYQLU-UHFFFAOYSA-N 0 0 380.472 6.369 50 0 GKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([C@@H](C)CC)cc2)cc1 ZINC000002984237 570322692 /nfs/dbraw/zinc/32/26/92/570322692.db2.gz MDZGQKLYLIBYSZ-INIZCTEOSA-N 0 0 384.545 5.506 50 0 GKAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000002984204 570322755 /nfs/dbraw/zinc/32/27/55/570322755.db2.gz JBYZVOQTCWNNEH-VKZJTJHYSA-N 0 0 399.446 5.180 50 0 GKAARN Clc1cccc(OCCOCCOc2cccc3cccnc32)c1Cl ZINC000002983526 570322761 /nfs/dbraw/zinc/32/27/61/570322761.db2.gz NXSQUUXWHWYOJC-UHFFFAOYSA-N 0 0 378.255 5.016 50 0 GKAARN Clc1cccc(Cl)c1OCCOCCOc1cccc2cccnc21 ZINC000002984795 570322969 /nfs/dbraw/zinc/32/29/69/570322969.db2.gz BNVFALSHXCICHG-UHFFFAOYSA-N 0 0 378.255 5.016 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 ZINC000002984756 570323029 /nfs/dbraw/zinc/32/30/29/570323029.db2.gz COMSUNAJKCBPGB-XYOKQWHBSA-N 0 0 388.854 6.109 50 0 GKAARN O=C(Cc1ccccc1)N(Cc1nc2cc(Cl)ccc2o1)Cc1ccccc1 ZINC000023425367 570323267 /nfs/dbraw/zinc/32/32/67/570323267.db2.gz 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ZINC000006203027 570336037 /nfs/dbraw/zinc/33/60/37/570336037.db2.gz HPBBGWUXDJFRMV-DNBYOKIBSA-N 0 0 389.967 5.529 50 0 GKAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794814 570337007 /nfs/dbraw/zinc/33/70/07/570337007.db2.gz NLKQRKDERAJTSP-UHFFFAOYSA-N 0 0 387.405 5.527 50 0 GKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccccc1F ZINC000034795603 570337278 /nfs/dbraw/zinc/33/72/78/570337278.db2.gz AQHDFWFGSKABAG-UHFFFAOYSA-N 0 0 391.368 5.439 50 0 GKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1cccc(OC)c1 ZINC000034795782 570337454 /nfs/dbraw/zinc/33/74/54/570337454.db2.gz QZKUPCUNYCOWDB-UHFFFAOYSA-N 0 0 377.488 5.198 50 0 GKAARN CCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000034795493 570337492 /nfs/dbraw/zinc/33/74/92/570337492.db2.gz LQXLAMNHEMOIGL-UHFFFAOYSA-N 0 0 377.341 5.049 50 0 GKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1)c1ccc(F)cc1 ZINC000034795531 570337495 /nfs/dbraw/zinc/33/74/95/570337495.db2.gz KUKCZCYQAVBQBK-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/33/97/85/570339785.db2.gz DPKHHSPWTOCREJ-UHFFFAOYSA-N 0 0 394.689 5.647 50 0 GKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Cc3ccccc3)nc2c1 ZINC000034907793 570339862 /nfs/dbraw/zinc/33/98/62/570339862.db2.gz KCZQHTPDROIWMD-HSZRJFAPSA-N 0 0 396.490 5.709 50 0 GKAARN COc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)NC(C)(C)C)nc3c2)c1 ZINC000034908628 570340085 /nfs/dbraw/zinc/34/00/85/570340085.db2.gz WLYJHJKQFSNBQB-LJQANCHMSA-N 0 0 393.487 5.148 50 0 GKAARN CCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(N(C)C)cc3)ccc2o1 ZINC000034908268 570340090 /nfs/dbraw/zinc/34/00/90/570340090.db2.gz HCNAXULWLMAGHR-HXUWFJFHSA-N 0 0 377.488 5.024 50 0 GKAARN CC(C)(C)C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908085 570340094 /nfs/dbraw/zinc/34/00/94/570340094.db2.gz CIIFVBBXNFDNMV-SFHVURJKSA-N 0 0 384.426 5.483 50 0 GKAARN O=C(c1cccs1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908167 570340099 /nfs/dbraw/zinc/34/00/99/570340099.db2.gz VKYHSXYUPNHHOR-GOSISDBHSA-N 0 0 392.455 5.673 50 0 GKAARN CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908105 570340106 /nfs/dbraw/zinc/34/01/06/570340106.db2.gz SYXAHOCGOKMSMC-IBGZPJMESA-N 0 0 398.453 5.873 50 0 GKAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034908511 570340144 /nfs/dbraw/zinc/34/01/44/570340144.db2.gz ZQXXCXLUVLAJRT-QFIPXVFZSA-N 0 0 397.478 5.542 50 0 GKAARN Cc1cc(NC(=O)c2ccc(F)cc2F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034909426 570340430 /nfs/dbraw/zinc/34/04/30/570340430.db2.gz TYVLVWFAUIFWOH-UHFFFAOYSA-N 0 0 382.197 5.018 50 0 GKAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1F ZINC000034909488 570340558 /nfs/dbraw/zinc/34/05/58/570340558.db2.gz CMELZRPMRLRFLU-UHFFFAOYSA-N 0 0 382.197 5.018 50 0 GKAARN Cc1sc2nc(CSc3ccc(Br)cc3)nc(Cl)c2c1C ZINC000003338744 570341069 /nfs/dbraw/zinc/34/10/69/570341069.db2.gz VBPCFSSPZAEORP-UHFFFAOYSA-N 0 0 399.766 6.016 50 0 GKAARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccccc1)N2 ZINC000000638098 570341122 /nfs/dbraw/zinc/34/11/22/570341122.db2.gz DCQWBGLMHHVSJT-JKSUJKDBSA-N 0 0 391.327 5.453 50 0 GKAARN CCOC(=O)c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000001712139 570341532 /nfs/dbraw/zinc/34/15/32/570341532.db2.gz WHRHETRQAVKPFQ-UHFFFAOYSA-N 0 0 397.367 5.541 50 0 GKAARN CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccccc1Cl ZINC000022312286 570342069 /nfs/dbraw/zinc/34/20/69/570342069.db2.gz OESOZWWEEZMZPX-UHFFFAOYSA-N 0 0 389.076 5.407 50 0 GKAARN Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000006207508 570342360 /nfs/dbraw/zinc/34/23/60/570342360.db2.gz TVMRTGSHRJXSSB-DEOSSOPVSA-N 0 0 387.527 5.865 50 0 GKAARN COCCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CC[C@@H](C)C3 ZINC000022386455 570342470 /nfs/dbraw/zinc/34/24/70/570342470.db2.gz GDPRJFKNIJBMEN-CQSZACIVSA-N 0 0 395.524 5.200 50 0 GKAARN Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c2ccccc2n1 ZINC000024028277 570342579 /nfs/dbraw/zinc/34/25/79/570342579.db2.gz UULVKBPNNTVFHD-UHFFFAOYSA-N 0 0 387.464 5.109 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000006215281 570342773 /nfs/dbraw/zinc/34/27/73/570342773.db2.gz TVJZLGIAWYNSFD-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccc2)cc1 ZINC000003364411 570342902 /nfs/dbraw/zinc/34/29/02/570342902.db2.gz IZZJJSVWPMUJIL-UHFFFAOYSA-N 0 0 397.507 5.411 50 0 GKAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000006219579 570343058 /nfs/dbraw/zinc/34/30/58/570343058.db2.gz VVQAKAYSQOFBPX-UHFFFAOYSA-N 0 0 398.356 5.288 50 0 GKAARN O=C(/C=C/c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000005772371 570343059 /nfs/dbraw/zinc/34/30/59/570343059.db2.gz IGMGIXMNCQJBDN-ZKFOFIEISA-N 0 0 398.462 5.709 50 0 GKAARN O=C(/C=C/c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000005772369 570343192 /nfs/dbraw/zinc/34/31/92/570343192.db2.gz IGMGIXMNCQJBDN-BJQOLGMFSA-N 0 0 398.462 5.709 50 0 GKAARN CCCNC(=O)N(Cc1cccnc1)c1ccc(Oc2ccc(C)cc2C)nc1 ZINC000034898407 570343343 /nfs/dbraw/zinc/34/33/43/570343343.db2.gz QAWBMZQQAUVGDW-UHFFFAOYSA-N 0 0 390.487 5.012 50 0 GKAARN CCn1nc(C(=O)N[C@H]2CCCc3ccccc32)cc1-c1ccc(Cl)s1 ZINC000034901083 570343530 /nfs/dbraw/zinc/34/35/30/570343530.db2.gz DFMVCOLKLLDHKT-HNNXBMFYSA-N 0 0 385.920 5.092 50 0 GKAARN CCn1nc(C(=O)Nc2ccc(Cl)cc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901441 570343643 /nfs/dbraw/zinc/34/36/43/570343643.db2.gz VUXFMAJPTGVRPC-UHFFFAOYSA-N 0 0 393.796 5.495 50 0 GKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)C23CC4CC(CC(C4)C2)C3)o1 ZINC000034914893 570343847 /nfs/dbraw/zinc/34/38/47/570343847.db2.gz MTYODTOYWXTYFL-UHFFFAOYSA-N 0 0 389.499 5.366 50 0 GKAARN CCc1ccc(C(=O)Nc2c(-c3ccc(F)c(F)c3)nc3ccccn32)cc1 ZINC000034914937 570344084 /nfs/dbraw/zinc/34/40/84/570344084.db2.gz YKDSMHGYLPVHLT-UHFFFAOYSA-N 0 0 377.394 5.094 50 0 GKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)Nc3ccc(Cl)cc3)n2c1 ZINC000034915102 570344267 /nfs/dbraw/zinc/34/42/67/570344267.db2.gz KGKNUMUHFSPEID-UHFFFAOYSA-N 0 0 394.837 5.746 50 0 GKAARN Cc1ccc(NC(=O)Nc2c(-c3cccc(Cl)c3)nc3cc(C)ccn32)cc1 ZINC000034915116 570344278 /nfs/dbraw/zinc/34/42/78/570344278.db2.gz ULGAVQVPULUPCL-UHFFFAOYSA-N 0 0 390.874 5.916 50 0 GKAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000034915097 570344355 /nfs/dbraw/zinc/34/43/55/570344355.db2.gz BYMIJIQJKSUJRW-UHFFFAOYSA-N 0 0 376.847 5.607 50 0 GKAARN CCc1ccc(C(=O)Nc2c(-c3cc(C)cc(C)c3)nc3cc(C)ccn32)cc1 ZINC000034915064 570344364 /nfs/dbraw/zinc/34/43/64/570344364.db2.gz SZNHQLZUKAYBJV-UHFFFAOYSA-N 0 0 383.495 5.741 50 0 GKAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)Nc3ccc(Cl)cc3)n2c1 ZINC000034915112 570344375 /nfs/dbraw/zinc/34/43/75/570344375.db2.gz OPXRADHQHNJNOL-UHFFFAOYSA-N 0 0 390.874 5.531 50 0 GKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)Nc3ccc(F)cc3F)n2c1 ZINC000034915106 570344400 /nfs/dbraw/zinc/34/44/00/570344400.db2.gz SMNNFGLGLVINKV-UHFFFAOYSA-N 0 0 396.372 5.371 50 0 GKAARN O=C(Nc1c(-c2cc(F)ccc2F)nc2ccccn21)c1ccc2ccccc2c1 ZINC000034916126 570344544 /nfs/dbraw/zinc/34/45/44/570344544.db2.gz WGZPBRGKSTYBFD-UHFFFAOYSA-N 0 0 399.400 5.685 50 0 GKAARN C[C@H](CC(=O)Nc1c(-c2cc(F)ccc2F)nc2ccccn21)CC(C)(C)C ZINC000034916120 570344613 /nfs/dbraw/zinc/34/46/13/570344613.db2.gz MQAMDADHMMYTTN-CQSZACIVSA-N 0 0 385.458 5.680 50 0 GKAARN Cc1nn2c(nc(C)cc2NCCc2ccccc2)c1-c1ccccc1Cl ZINC000023114922 570344719 /nfs/dbraw/zinc/34/47/19/570344719.db2.gz IWWVSJRAAXZCRI-UHFFFAOYSA-N 0 0 376.891 5.321 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(Br)cc1 ZINC000006232121 570344975 /nfs/dbraw/zinc/34/49/75/570344975.db2.gz MCPWBRUXXTWKOS-UHFFFAOYSA-N 0 0 390.321 5.679 50 0 GKAARN COc1cccc(-c2cc(CN(C(=O)Nc3ccccc3C)C(C)C)no2)c1 ZINC000034922375 570345698 /nfs/dbraw/zinc/34/56/98/570345698.db2.gz FPOVFSBBGOVNOE-UHFFFAOYSA-N 0 0 379.460 5.101 50 0 GKAARN O=C(Nc1cccc(Cl)c1Cl)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000034928432 570345859 /nfs/dbraw/zinc/34/58/59/570345859.db2.gz OHXCYOFDLLFHJS-UHFFFAOYSA-N 0 0 378.234 5.204 50 0 GKAARN Cc1ccc(C)c(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)c1 ZINC000006237557 570346141 /nfs/dbraw/zinc/34/61/41/570346141.db2.gz VEVRTVGSYYIKGT-UHFFFAOYSA-N 0 0 375.497 5.480 50 0 GKAARN O=C(NC1CCCCC1)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000034928447 570346155 /nfs/dbraw/zinc/34/61/55/570346155.db2.gz JTLJNZZGFOKUHR-UHFFFAOYSA-N 0 0 387.527 5.090 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2NC(=O)C[C@H](C)CC(C)(C)C ZINC000034912547 570346197 /nfs/dbraw/zinc/34/61/97/570346197.db2.gz LPSKTQZGGMWYGA-INIZCTEOSA-N 0 0 397.950 6.364 50 0 GKAARN CCCCCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)nc2ccc(C)cn21 ZINC000034912598 570346342 /nfs/dbraw/zinc/34/63/42/570346342.db2.gz UOCPPTDUQTZRAU-UHFFFAOYSA-N 0 0 395.503 5.236 50 0 GKAARN CCCCc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)nc3cc(C)ccn32)cc1 ZINC000034912890 570346548 /nfs/dbraw/zinc/34/65/48/570346548.db2.gz ICVHDBUQHYWFQS-UHFFFAOYSA-N 0 0 397.522 6.213 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034912977 570346581 /nfs/dbraw/zinc/34/65/81/570346581.db2.gz MQNZEJFJSSAGBQ-VQTJNVASSA-N 0 0 385.442 5.191 50 0 GKAARN CCCC[C@@H](CC)C(=O)Nc1c(-c2ccccc2OC)nc2ccc(C)cn21 ZINC000034912691 570346631 /nfs/dbraw/zinc/34/66/31/570346631.db2.gz XYIMGIIYOUSOAO-QGZVFWFLSA-N 0 0 379.504 5.473 50 0 GKAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)c1cccc(C(F)(F)F)c1 ZINC000034913074 570346724 /nfs/dbraw/zinc/34/67/24/570346724.db2.gz YIHIFTOZHGUQRM-UHFFFAOYSA-N 0 0 395.384 5.196 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)c1ccccc1C ZINC000034913173 570346732 /nfs/dbraw/zinc/34/67/32/570346732.db2.gz VDJHQCPLSDEVHK-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3cccc(F)c3)n2c1 ZINC000034913216 570346775 /nfs/dbraw/zinc/34/67/75/570346775.db2.gz YPYOLZJFNXBHIX-UHFFFAOYSA-N 0 0 379.822 5.355 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000034913302 570346810 /nfs/dbraw/zinc/34/68/10/570346810.db2.gz OAYIFYFYRBZPHK-PMACEKPBSA-N 0 0 385.442 5.191 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)Cc1ccc(F)cc1 ZINC000034913182 570346848 /nfs/dbraw/zinc/34/68/48/570346848.db2.gz TVYJXIIRJYUKHY-UHFFFAOYSA-N 0 0 393.849 5.283 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)C[C@H](C)CC(C)(C)C ZINC000034913272 570346867 /nfs/dbraw/zinc/34/68/67/570346867.db2.gz OAZWPIHGPXMIEL-INIZCTEOSA-N 0 0 381.495 5.850 50 0 GKAARN COc1cccc(C(=O)Nc2c(-c3cccc(Cl)c3)nc3ccc(C)cn32)c1 ZINC000034913233 570346944 /nfs/dbraw/zinc/34/69/44/570346944.db2.gz VLMJRXADSOGDPG-UHFFFAOYSA-N 0 0 391.858 5.224 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)c1ccc(Cl)cc1 ZINC000034913342 570347064 /nfs/dbraw/zinc/34/70/64/570347064.db2.gz PREFXKSDMHYZNX-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN CCOC(=O)c1cc([C@H](C)CC(C)(C)C)sc1NC(=O)/C=C/c1ccccc1 ZINC000022642414 570347168 /nfs/dbraw/zinc/34/71/68/570347168.db2.gz HQROTDIWANAFNW-CJTWTEFWSA-N 0 0 399.556 6.116 50 0 GKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)cc1 ZINC000006241674 570347446 /nfs/dbraw/zinc/34/74/46/570347446.db2.gz AVGNFCNKZNYEPZ-UHFFFAOYSA-N 0 0 378.575 5.374 50 0 GKAARN CCN(C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)C1CCCCC1 ZINC000022647281 570348162 /nfs/dbraw/zinc/34/81/62/570348162.db2.gz MRRNGQUXJYUZOH-UHFFFAOYSA-N 0 0 381.463 6.229 50 0 GKAARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1 ZINC000006245100 570348384 /nfs/dbraw/zinc/34/83/84/570348384.db2.gz HSZQENQRBVCTRT-UHFFFAOYSA-N 0 0 390.389 5.441 50 0 GKAARN O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004853575 570348449 /nfs/dbraw/zinc/34/84/49/570348449.db2.gz OKGBQZWYDBDMIO-ZROIWOOFSA-N 0 0 390.247 5.659 50 0 GKAARN O=C(Nc1ccc(Br)cc1Br)c1cccc(Cl)c1 ZINC000003602951 570348512 /nfs/dbraw/zinc/34/85/12/570348512.db2.gz KQFVZDNSFZRLTE-UHFFFAOYSA-N 0 0 389.474 5.117 50 0 GKAARN Cn1c(CCc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)nc2ccccc21 ZINC000035397040 570348692 /nfs/dbraw/zinc/34/86/92/570348692.db2.gz RSJWZUYITVHHEN-UHFFFAOYSA-N 0 0 394.478 5.092 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000004854184 570348751 /nfs/dbraw/zinc/34/87/51/570348751.db2.gz LWDDJFUWEBYWIX-IBGZPJMESA-N 0 0 386.282 5.432 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000004854181 570348777 /nfs/dbraw/zinc/34/87/77/570348777.db2.gz LWDDJFUWEBYWIX-LJQANCHMSA-N 0 0 386.282 5.432 50 0 GKAARN O=C(/C=C/c1ccc(Br)s1)Oc1ccc(Cl)c2ccccc12 ZINC000007983424 570349429 /nfs/dbraw/zinc/34/94/29/570349429.db2.gz UQZGDJWCXBEHIT-UXBLZVDNSA-N 0 0 393.689 5.936 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCCC2 ZINC000004857690 570349484 /nfs/dbraw/zinc/34/94/84/570349484.db2.gz IYSIEFRTTDGGMZ-UHFFFAOYSA-N 0 0 383.469 5.111 50 0 GKAARN CC[C@]1(C)Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 ZINC000003653371 570349602 /nfs/dbraw/zinc/34/96/02/570349602.db2.gz QXOYAGRDLUPPBS-HXUWFJFHSA-N 0 0 398.919 5.415 50 0 GKAARN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1c[nH]c2ccccc12 ZINC000003656430 570349627 /nfs/dbraw/zinc/34/96/27/570349627.db2.gz AFSINTIIPIQKRG-UHFFFAOYSA-N 0 0 383.491 6.554 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)Nc1ccccc1-2 ZINC000003655209 570349755 /nfs/dbraw/zinc/34/97/55/570349755.db2.gz QAFIMAUWVQAVHW-KRWDZBQOSA-N 0 0 384.530 5.304 50 0 GKAARN c1ccc(Oc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2)cc1 ZINC000003666995 570350042 /nfs/dbraw/zinc/35/00/42/570350042.db2.gz VWEBLZYZADTESA-UHFFFAOYSA-N 0 0 388.470 7.203 50 0 GKAARN COc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1C(C)C ZINC000003671693 570350305 /nfs/dbraw/zinc/35/03/05/570350305.db2.gz IXFZCLFUHQLGEO-XMMPIXPASA-N 0 0 386.495 5.898 50 0 GKAARN O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1ccccc1 ZINC000035400287 570350712 /nfs/dbraw/zinc/35/07/12/570350712.db2.gz CJOGIYZSOUPPNJ-UHFFFAOYSA-N 0 0 399.881 5.101 50 0 GKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 ZINC000003770780 570350783 /nfs/dbraw/zinc/35/07/83/570350783.db2.gz YKDNPCCXGUWKAV-UHFFFAOYSA-N 0 0 390.870 6.271 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(OC(F)F)c1 ZINC000004864143 570350964 /nfs/dbraw/zinc/35/09/64/570350964.db2.gz MYXHRZKDIHLOHY-UHFFFAOYSA-N 0 0 379.366 5.084 50 0 GKAARN Cc1ccsc1C(=CCC[N@@H+]1CCC[C@@H](C(=O)[O-])C1)c1sccc1C ZINC000003831531 570351231 /nfs/dbraw/zinc/35/12/31/570351231.db2.gz PBJUNZJWGZTSKL-MRXNPFEDSA-N 0 0 375.559 5.045 50 0 fda GKAARN O=C(Nc1ccccc1Br)c1cc(Br)ccc1Cl ZINC000006258695 570351366 /nfs/dbraw/zinc/35/13/66/570351366.db2.gz OWCXANDSFILVHW-UHFFFAOYSA-N 0 0 389.474 5.117 50 0 GKAARN COC(=O)c1ccccc1NC(=O)Cc1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000023234595 570351577 /nfs/dbraw/zinc/35/15/77/570351577.db2.gz NHMSTVHIVGMAKG-UHFFFAOYSA-N 0 0 393.527 5.176 50 0 GKAARN FC(F)(F)c1cccc([C@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 ZINC000023232536 570351644 /nfs/dbraw/zinc/35/16/44/570351644.db2.gz VVLFSWKKYPBYRD-QGZVFWFLSA-N 0 0 389.446 5.672 50 0 GKAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003881332 570352983 /nfs/dbraw/zinc/35/29/83/570352983.db2.gz IMNIZYXAQQBADI-OZECAXSSSA-N 0 0 388.592 5.516 50 0 GKAARN CC(C)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000004875201 570352974 /nfs/dbraw/zinc/35/29/74/570352974.db2.gz YJSZOSZEXJRNCJ-UHFFFAOYSA-N 0 0 391.489 5.062 50 0 GKAARN CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003876073 570353078 /nfs/dbraw/zinc/35/30/78/570353078.db2.gz AVSXSVCZWQODGV-DPAQBDIFSA-N 0 0 384.648 7.309 50 0 endogenous,in-man GKAARN CCOc1ccc(Oc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)cc1 ZINC000006261445 570353167 /nfs/dbraw/zinc/35/31/67/570353167.db2.gz FLBNCNIHWNZJNS-UHFFFAOYSA-N 0 0 377.440 5.067 50 0 GKAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)c(OC)c1 ZINC000004011748 570354036 /nfs/dbraw/zinc/35/40/36/570354036.db2.gz KKEFDQUPJPZNOR-QFIPXVFZSA-N 0 0 392.886 5.713 50 0 GKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 ZINC000004005665 570354178 /nfs/dbraw/zinc/35/41/78/570354178.db2.gz PZNMHSYSHWTAMY-UHFFFAOYSA-N 0 0 393.530 7.492 50 0 GKAARN O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1CC12CC3CC(CC(C3)C1)C2 ZINC000004012158 570354503 /nfs/dbraw/zinc/35/45/03/570354503.db2.gz ZTMYAIXIZRSNCZ-MMVGZCIASA-N 0 0 396.383 5.784 50 0 GKAARN CN(C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)C1CCCCC1 ZINC000023318551 570354491 /nfs/dbraw/zinc/35/44/91/570354491.db2.gz XTRYUGKDQXJYSD-UHFFFAOYSA-N 0 0 391.536 6.612 50 0 GKAARN COc1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000023320051 570354595 /nfs/dbraw/zinc/35/45/95/570354595.db2.gz JNMCCCDDSJZPLZ-JOCHJYFZSA-N 0 0 377.871 5.137 50 0 GKAARN CCOC(=O)c1cnc2ccc(C)cc2c1Sc1cccc(C(F)(F)F)c1 ZINC000004014182 570354605 /nfs/dbraw/zinc/35/46/05/570354605.db2.gz JCJLRROIGYFDQG-UHFFFAOYSA-N 0 0 391.414 5.890 50 0 GKAARN C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)s2)C1 ZINC000023312787 570354666 /nfs/dbraw/zinc/35/46/66/570354666.db2.gz MRVFSITVMULHSX-QGZVFWFLSA-N 0 0 377.509 6.080 50 0 GKAARN Brc1ccc(N2N=C(c3cccnc3)C[C@@H]2c2ccccc2)cc1 ZINC000004020537 570354878 /nfs/dbraw/zinc/35/48/78/570354878.db2.gz WKUJFBHGHFCELO-HXUWFJFHSA-N 0 0 378.273 5.200 50 0 GKAARN O=C(c1ccc(F)cc1F)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023326981 570355037 /nfs/dbraw/zinc/35/50/37/570355037.db2.gz RLUZOERVEVPWQN-OAQYLSRUSA-N 0 0 383.825 5.406 50 0 GKAARN O=C(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1ccc(Cl)cc1 ZINC000004050294 570355632 /nfs/dbraw/zinc/35/56/32/570355632.db2.gz IRAMUADPCWSLSR-UHFFFAOYSA-N 0 0 387.826 5.078 50 0 GKAARN CC(C)(C)c1ccc(CN(Cc2ccccc2)C(=S)Nc2ccccc2)cc1 ZINC000004045208 570355643 /nfs/dbraw/zinc/35/56/43/570355643.db2.gz KKUWMSGAHZBIIH-UHFFFAOYSA-N 0 0 388.580 6.383 50 0 GKAARN CC(C)c1cc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2ccccc2n1 ZINC000008072785 570355775 /nfs/dbraw/zinc/35/57/75/570355775.db2.gz WOHIOLTZGLVWJG-UHFFFAOYSA-N 0 0 387.310 5.937 50 0 GKAARN CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883123 570355942 /nfs/dbraw/zinc/35/59/42/570355942.db2.gz OPCLLYJOOVPYBN-SFQUDFHCSA-N 0 0 386.904 5.154 50 0 GKAARN Cn1cc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c2ccccc21 ZINC000004889020 570356534 /nfs/dbraw/zinc/35/65/34/570356534.db2.gz OQINTNFCGFASMS-DEOSSOPVSA-N 0 0 379.463 5.170 50 0 GKAARN COc1ccc(CN(CC[C@]2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1 ZINC000004073541 570356597 /nfs/dbraw/zinc/35/65/97/570356597.db2.gz UZNPFBXZVWMUPR-XMMPIXPASA-N 0 0 389.580 5.445 50 0 biogenic GKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1C ZINC000004890873 570357169 /nfs/dbraw/zinc/35/71/69/570357169.db2.gz UVNXIQAYGFNASJ-UHFFFAOYSA-N 0 0 391.540 5.147 50 0 GKAARN O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)cc1)Nc1ccccc1 ZINC000004890836 570357276 /nfs/dbraw/zinc/35/72/76/570357276.db2.gz PEHYHNSKFMMTOZ-UHFFFAOYSA-N 0 0 397.931 5.183 50 0 GKAARN CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)=N1 ZINC000004890510 570357323 /nfs/dbraw/zinc/35/73/23/570357323.db2.gz JLYZOEJMMBETMT-HXUWFJFHSA-N 0 0 385.920 5.039 50 0 GKAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccc(F)c1)Nc1ccccc1 ZINC000004890832 570357402 /nfs/dbraw/zinc/35/74/02/570357402.db2.gz IKVMNMHOXHEZRT-UHFFFAOYSA-N 0 0 395.503 5.059 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(F)cc3C)nc3ccccc32)cc1 ZINC000035429771 570357573 /nfs/dbraw/zinc/35/75/73/570357573.db2.gz OWEPUILCVZKZKM-UHFFFAOYSA-N 0 0 386.430 5.382 50 0 GKAARN CCc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000035429702 570357581 /nfs/dbraw/zinc/35/75/81/570357581.db2.gz RGLOOZTYSCUWEO-UHFFFAOYSA-N 0 0 382.467 5.497 50 0 GKAARN O=C(Nc1ccc(F)cc1Cl)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429960 570357970 /nfs/dbraw/zinc/35/79/70/570357970.db2.gz ALXYPEDCNVAIST-UHFFFAOYSA-N 0 0 392.821 5.418 50 0 GKAARN CCOc1ccccc1NC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429949 570358114 /nfs/dbraw/zinc/35/81/14/570358114.db2.gz FAALBMLMANJEAE-UHFFFAOYSA-N 0 0 384.439 5.024 50 0 GKAARN CC(C)N(C(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000004114867 570358161 /nfs/dbraw/zinc/35/81/61/570358161.db2.gz NPIWKFHNLYVGPJ-ISLYRVAYSA-N 0 0 395.506 5.648 50 0 GKAARN CCOc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000004114835 570358164 /nfs/dbraw/zinc/35/81/64/570358164.db2.gz OFWCBKFOXFDIHH-UHFFFAOYSA-N 0 0 387.483 5.126 50 0 GKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000004122444 570358381 /nfs/dbraw/zinc/35/83/81/570358381.db2.gz WLUFBIBUBIEJRQ-UHFFFAOYSA-N 0 0 387.439 5.238 50 0 GKAARN c1ccc(C2=C(c3ccccc3)C2(c2ccccc2)C2SCCCS2)cc1 ZINC000004127715 570358577 /nfs/dbraw/zinc/35/85/77/570358577.db2.gz NYPCGVQDEPTCSU-UHFFFAOYSA-N 0 0 386.585 6.745 50 0 GKAARN Clc1ccccc1[C@@H]1[C@H]2CCC/C(=C\c3ccco3)C2=NN1c1ccccc1 ZINC000004898980 570358640 /nfs/dbraw/zinc/35/86/40/570358640.db2.gz IAOPIHQPHYYGAG-AYVKFQPHSA-N 0 0 388.898 6.734 50 0 GKAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc3ccccc32)cc1 ZINC000033497514 570358669 /nfs/dbraw/zinc/35/86/69/570358669.db2.gz BKVURRKLKWSVJA-XMMPIXPASA-N 0 0 381.479 5.587 50 0 GKAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)CCCCC2 ZINC000004134721 570359071 /nfs/dbraw/zinc/35/90/71/570359071.db2.gz VZWLUJVWSGZWQU-UHFFFAOYSA-N 0 0 390.508 5.035 50 0 GKAARN CCc1cccc(C)c1N[C@H]1c2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000004899999 570359232 /nfs/dbraw/zinc/35/92/32/570359232.db2.gz FTVYNBFKLRLFMQ-JOCHJYFZSA-N 0 0 376.887 5.982 50 0 GKAARN CC(=O)N(CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000000810524 570359266 /nfs/dbraw/zinc/35/92/66/570359266.db2.gz JAZNZAFCHUHFCY-FCHUYYIVSA-N 0 0 383.532 5.082 50 0 biogenic GKAARN O=C(Nc1ccc(Oc2ncnc3c4ccccc4oc32)cc1)c1cccs1 ZINC000023380853 570359331 /nfs/dbraw/zinc/35/93/31/570359331.db2.gz JYWYHWPMAWKHRI-UHFFFAOYSA-N 0 0 387.420 5.482 50 0 GKAARN COc1cc(CNc2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1 ZINC000004148480 570359769 /nfs/dbraw/zinc/35/97/69/570359769.db2.gz KEHZNFSRSCBTMV-UHFFFAOYSA-N 0 0 388.511 5.487 50 0 GKAARN CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1ccc(F)cc1 ZINC000004900949 570359988 /nfs/dbraw/zinc/35/99/88/570359988.db2.gz DAXGHYHAJCEWSW-UHFFFAOYSA-N 0 0 380.444 5.264 50 0 GKAARN CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1cc(C)ccc1C ZINC000004900955 570360050 /nfs/dbraw/zinc/36/00/50/570360050.db2.gz NWAQWTLRUOOAOB-UHFFFAOYSA-N 0 0 390.508 5.742 50 0 GKAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=Nc3ccccc3S2)cc1OC ZINC000004154723 570360102 /nfs/dbraw/zinc/36/01/02/570360102.db2.gz BUXSVYFHDGUPJN-XMMPIXPASA-N 0 0 389.520 6.370 50 0 GKAARN Cc1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@@H]2c2ccccc2Cl)cc1C ZINC000004177839 570361167 /nfs/dbraw/zinc/36/11/67/570361167.db2.gz FRUHZIPUPWXVJR-XZOQPEGZSA-N 0 0 391.898 5.801 50 0 GKAARN COc1ccc(N[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1Cl ZINC000006285539 570361278 /nfs/dbraw/zinc/36/12/78/570361278.db2.gz YOGZJBSDGLJHGP-JOCHJYFZSA-N 0 0 394.902 5.757 50 0 GKAARN CC(C)(C)c1ccc(CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1 ZINC000004907312 570361385 /nfs/dbraw/zinc/36/13/85/570361385.db2.gz GWLCDZZLDXLOFV-UHFFFAOYSA-N 0 0 390.508 6.185 50 0 GKAARN Cc1ccc(CN2CCSc3ccc(C(=O)N4[C@@H](C)CCC[C@@H]4C)cc32)cc1 ZINC000004908390 570361658 /nfs/dbraw/zinc/36/16/58/570361658.db2.gz LXGQTWVNCWDTJN-OALUTQOASA-N 0 0 394.584 5.510 50 0 GKAARN CCOc1ccc(N(CC)C(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1 ZINC000004908311 570361684 /nfs/dbraw/zinc/36/16/84/570361684.db2.gz LIHBOKWETKQMQW-UHFFFAOYSA-N 0 0 390.439 5.055 50 0 GKAARN Oc1cccc2ccc(/C=C/c3ccc(-c4cccc(Br)c4)o3)nc12 ZINC000004180383 570361691 /nfs/dbraw/zinc/36/16/91/570361691.db2.gz WPSUEEKNHNGJLB-MDZDMXLPSA-N 0 0 392.252 6.133 50 0 GKAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004908111 570361718 /nfs/dbraw/zinc/36/17/18/570361718.db2.gz RVNBZSHJSATHJH-UHFFFAOYSA-N 0 0 388.536 5.037 50 0 GKAARN Clc1ccc(-c2csc3ncnc(Oc4cccc5cccnc54)c23)cc1 ZINC000004184225 570361878 /nfs/dbraw/zinc/36/18/78/570361878.db2.gz RCEIMBADROCICG-UHFFFAOYSA-N 0 0 389.867 6.352 50 0 GKAARN O=C(NCc1cncc(-c2ccco2)c1)c1cccc(Oc2ccc(F)cc2)c1 ZINC000575618065 570361906 /nfs/dbraw/zinc/36/19/06/570361906.db2.gz HRCCLRDGDHBYED-UHFFFAOYSA-N 0 0 388.398 5.203 50 0 GKAARN Fc1ccc(-c2nc3ccccc3c(NCCCc3ccccc3)n2)c(F)c1 ZINC000023428529 570362010 /nfs/dbraw/zinc/36/20/10/570362010.db2.gz VYXGJPWDERRPTA-UHFFFAOYSA-N 0 0 375.422 5.620 50 0 GKAARN COc1ccc(Nc2cc(C(=O)NCc3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000004909768 570362045 /nfs/dbraw/zinc/36/20/45/570362045.db2.gz BSMCEIVPKOUBPX-UHFFFAOYSA-N 0 0 397.478 5.225 50 0 GKAARN CCc1cccc(CC)c1NC(=S)NCCc1c(C)[nH]c2ccc(OC)cc21 ZINC000004905496 570362157 /nfs/dbraw/zinc/36/21/57/570362157.db2.gz ZVQBOOUXWYIIDC-UHFFFAOYSA-N 0 0 395.572 5.139 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1cncc(-c2ccco2)c1 ZINC000575618022 570362272 /nfs/dbraw/zinc/36/22/72/570362272.db2.gz GSBDUJWRXHTLSH-UHFFFAOYSA-N 0 0 382.463 5.180 50 0 GKAARN CCN(Cc1ccccc1)c1nc(-c2ccc(F)cc2F)nc2ccccc21 ZINC000023445570 570362842 /nfs/dbraw/zinc/36/28/42/570362842.db2.gz HHQRFHMYQAXNHZ-UHFFFAOYSA-N 0 0 375.422 5.602 50 0 GKAARN CC(C)c1nc2cc(C(=O)N(C)Cc3csc(-c4ccccc4)n3)ccc2o1 ZINC000023478697 570363090 /nfs/dbraw/zinc/36/30/90/570363090.db2.gz LPBXAHDWGZOCQC-UHFFFAOYSA-N 0 0 391.496 5.347 50 0 GKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000004910748 570363278 /nfs/dbraw/zinc/36/32/78/570363278.db2.gz GVGRGXGRWJEBMD-HXUWFJFHSA-N 0 0 389.543 5.322 50 0 GKAARN CSc1cccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c1 ZINC000004911514 570363526 /nfs/dbraw/zinc/36/35/26/570363526.db2.gz 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ZINC000004577820 570385625 /nfs/dbraw/zinc/38/56/25/570385625.db2.gz NJYYNUUZKUKVRR-BUHFOSPRSA-N 0 0 392.380 5.575 50 0 GKAARN COc1ccc(-n2nc(-c3ccc(C)c(C)c3)c3cnc4ccc(C)cc4c32)cc1 ZINC000004970233 570385671 /nfs/dbraw/zinc/38/56/71/570385671.db2.gz QGPYSTBAXNFTFE-UHFFFAOYSA-N 0 0 393.490 6.175 50 0 GKAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc32)cc1C ZINC000004970230 570385684 /nfs/dbraw/zinc/38/56/84/570385684.db2.gz KSRUQGKFKHVBNH-UHFFFAOYSA-N 0 0 385.417 6.136 50 0 GKAARN COc1cccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc32)c1 ZINC000004970297 570385774 /nfs/dbraw/zinc/38/57/74/570385774.db2.gz OJYQTHZVSNKYLE-UHFFFAOYSA-N 0 0 387.389 5.528 50 0 GKAARN CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccccc32)cc1 ZINC000004970248 570385778 /nfs/dbraw/zinc/38/57/78/570385778.db2.gz JRFXFHLIDLWNRB-UHFFFAOYSA-N 0 0 397.909 6.765 50 0 GKAARN COc1ccc(-n2nc(-c3cccc(OC)c3)c3cnc4ccc(F)cc4c32)cc1 ZINC000004970301 570385784 /nfs/dbraw/zinc/38/57/84/570385784.db2.gz OBSUMUDXEOZOKV-UHFFFAOYSA-N 0 0 399.425 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Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000004972082 570387075 /nfs/dbraw/zinc/38/70/75/570387075.db2.gz LBDBMPCXXZSGRY-UHFFFAOYSA-N 0 0 383.447 5.638 50 0 GKAARN CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000004611535 570387237 /nfs/dbraw/zinc/38/72/37/570387237.db2.gz NOMDHNSQVPSCTL-JLSDUUJJSA-N 0 0 397.540 5.182 50 0 GKAARN CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)Nc3ccc(C)cc3)c2c1 ZINC000004610390 570387320 /nfs/dbraw/zinc/38/73/20/570387320.db2.gz BMVCFUBVKYJLEB-UHFFFAOYSA-N 0 0 396.490 6.034 50 0 GKAARN CC(C)N1c2ccc(-c3noc(C4CCC4)n3)cc2Sc2ccccc2C1=O ZINC000035511160 570388275 /nfs/dbraw/zinc/38/82/75/570388275.db2.gz PQMARKKBHDRKJK-UHFFFAOYSA-N 0 0 391.496 5.524 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000035511194 570388284 /nfs/dbraw/zinc/38/82/84/570388284.db2.gz KHZBOZGZMKNMQA-KRWDZBQOSA-N 0 0 399.878 5.392 50 0 GKAARN Fc1ccc(/C=C/C2=NN(c3ccc(F)cc3F)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004628327 570388683 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Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC000004659910 570390329 /nfs/dbraw/zinc/39/03/29/570390329.db2.gz BIQFFSNUBXJWMT-UHFFFAOYSA-N 0 0 378.859 5.082 50 0 GKAARN C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2C1 ZINC000004660833 570390355 /nfs/dbraw/zinc/39/03/55/570390355.db2.gz DNDSIVYFMLCCBW-HNNXBMFYSA-N 0 0 397.540 5.656 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(Cl)ccc1Cl ZINC000004985445 570390447 /nfs/dbraw/zinc/39/04/47/570390447.db2.gz QQEWPHIMKPLHOV-SUYBPPKGSA-N 0 0 387.303 5.154 50 0 GKAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000004660831 570390430 /nfs/dbraw/zinc/39/04/30/570390430.db2.gz BJFVOFPMKZTYKV-HNNXBMFYSA-N 0 0 383.513 5.482 50 0 GKAARN CCc1cccc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)c1 ZINC000035536428 570390511 /nfs/dbraw/zinc/39/05/11/570390511.db2.gz MHKPQBMUUDGNKY-UHFFFAOYSA-N 0 0 385.261 5.227 50 0 GKAARN O=C(NC1CCCC1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004661108 570390536 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CCOc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(C)c(F)c2)cc1 ZINC000004992358 570391076 /nfs/dbraw/zinc/39/10/76/570391076.db2.gz PHTBAYOJPIKRNS-JOCHJYFZSA-N 0 0 376.431 5.304 50 0 GKAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000004666581 570391173 /nfs/dbraw/zinc/39/11/73/570391173.db2.gz JMYRWRHGQGAYDX-UHFFFAOYSA-N 0 0 381.431 5.088 50 0 GKAARN Cc1ccc(C2=CSC3=NN=C(c4ccccc4)[C@H](c4ccccc4)N23)cc1 ZINC000004667560 570391415 /nfs/dbraw/zinc/39/14/15/570391415.db2.gz QZKAOXJRSKWHJT-QHCPKHFHSA-N 0 0 381.504 5.857 50 0 GKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004666785 570391479 /nfs/dbraw/zinc/39/14/79/570391479.db2.gz CPAUUYSBSATDDQ-VGVOZYGISA-N 0 0 386.620 6.466 50 0 GKAARN COc1ccc(-c2c3c(nc4c2CCCC4)sc2c3ncnc2SC)cc1 ZINC000004666733 570391520 /nfs/dbraw/zinc/39/15/20/570391520.db2.gz VDQFRMIWPHNUIQ-UHFFFAOYSA-N 0 0 393.537 5.516 50 0 GKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000004995483 570391695 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Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000027664248 570439247 /nfs/dbraw/zinc/43/92/47/570439247.db2.gz SIECCWLREUBNNY-UHFFFAOYSA-N 0 0 395.911 6.612 50 0 GKAARN O=C(NC(Sc1ccccn1)=C(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000026842171 570439570 /nfs/dbraw/zinc/43/95/70/570439570.db2.gz JGFGRKRQQPNHIT-UHFFFAOYSA-N 0 0 394.110 5.515 50 0 GKAARN CCCC(CCC)NC(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000022654088 570439993 /nfs/dbraw/zinc/43/99/93/570439993.db2.gz SEQIIPIOXVZPBU-UHFFFAOYSA-N 0 0 391.533 5.140 50 0 GKAARN CCC(=O)N(c1ccc(C)cc1)[C@H]1C[C@@H](C)N(C(=O)CC)c2ccc(C)cc21 ZINC000005451607 570440235 /nfs/dbraw/zinc/44/02/35/570440235.db2.gz QDNWYXOCZAFFDK-GCJKJVERSA-N 0 0 378.516 5.323 50 0 GKAARN CCC(=O)N(c1ccc(C)cc1)[C@@H]1C[C@@H](C)N(C(=O)CC)c2ccc(C)cc21 ZINC000005451606 570440546 /nfs/dbraw/zinc/44/05/46/570440546.db2.gz QDNWYXOCZAFFDK-XMSQKQJNSA-N 0 0 378.516 5.323 50 0 GKAARN CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccc(C)c(Cl)c1 ZINC000027742434 570441110 /nfs/dbraw/zinc/44/11/10/570441110.db2.gz 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Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)c1 ZINC000027793837 570442897 /nfs/dbraw/zinc/44/28/97/570442897.db2.gz ISAHQKKXFJOMPT-UHFFFAOYSA-N 0 0 384.435 5.554 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cccs2)c2cccc(C(F)(F)F)c2)cc1 ZINC000027793710 570442923 /nfs/dbraw/zinc/44/29/23/570442923.db2.gz AGAKOJXGOAZEGX-UHFFFAOYSA-N 0 0 375.415 5.922 50 0 GKAARN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(OC)c1 ZINC000005499286 570442953 /nfs/dbraw/zinc/44/29/53/570442953.db2.gz XWDQQBCBWAZVHC-UHFFFAOYSA-N 0 0 394.327 5.573 50 0 GKAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)n1 ZINC000027808693 570443442 /nfs/dbraw/zinc/44/34/42/570443442.db2.gz UVXDTQNPYGGESI-ZDUSSCGKSA-N 0 0 385.537 5.139 50 0 GKAARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3cccc(Cl)c3)c[nH]c21 ZINC000035768663 570444228 /nfs/dbraw/zinc/44/42/28/570444228.db2.gz VACXYYJPUMXVBR-HXUWFJFHSA-N 0 0 380.919 5.528 50 0 GKAARN COc1cc(-n2nc(C)c(-c3ccc(Cl)cc3)c2N)c(Cl)cc1Cl ZINC000005530894 570444423 /nfs/dbraw/zinc/44/44/23/570444423.db2.gz 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570446840 /nfs/dbraw/zinc/44/68/40/570446840.db2.gz FQRDSPVFTDFKQY-KRWDZBQOSA-N 0 0 375.697 6.073 50 0 GKAARN COc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000100789421 570447163 /nfs/dbraw/zinc/44/71/63/570447163.db2.gz ZXYRBLARWBRKMW-QFIPXVFZSA-N 0 0 387.870 5.754 50 0 GKAARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000011916250 570447207 /nfs/dbraw/zinc/44/72/07/570447207.db2.gz CIBRWLFLVNZZEV-UHFFFAOYSA-N 0 0 387.888 5.022 50 0 GKAARN CCOC(=O)c1c(Nc2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1 ZINC000001911181 570447316 /nfs/dbraw/zinc/44/73/16/570447316.db2.gz WVQXUNBZLOXIIU-UHFFFAOYSA-N 0 0 395.462 5.731 50 0 GKAARN COc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(Cl)cc2)cc1 ZINC000011914477 570447851 /nfs/dbraw/zinc/44/78/51/570447851.db2.gz OVMWKNBLNPCSOT-UHFFFAOYSA-N 0 0 387.888 5.022 50 0 GKAARN CCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000005591428 570447935 /nfs/dbraw/zinc/44/79/35/570447935.db2.gz IDZWPEFKFRCPQU-LAUBAEHRSA-N 0 0 386.879 5.027 50 0 GKAARN Cc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc(=O)c2c1 ZINC000027990905 570448229 /nfs/dbraw/zinc/44/82/29/570448229.db2.gz WVVISCATOGJUNR-UHFFFAOYSA-N 0 0 381.737 5.026 50 0 GKAARN Cc1ccc(-c2nc(CCNC(=O)c3ccc(OCC(C)C)cc3)cs2)cc1 ZINC000027991926 570448329 /nfs/dbraw/zinc/44/83/29/570448329.db2.gz OCCFJVXRLQQTRM-UHFFFAOYSA-N 0 0 394.540 5.126 50 0 GKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 ZINC000027991933 570448378 /nfs/dbraw/zinc/44/83/78/570448378.db2.gz BPOQTUFQRADZRY-UHFFFAOYSA-N 0 0 395.846 5.622 50 0 GKAARN CCN(C(=O)c1cccc(OC)c1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027991185 570448433 /nfs/dbraw/zinc/44/84/33/570448433.db2.gz LBRLWSMUBWAQRZ-VWLOTQADSA-N 0 0 398.506 5.737 50 0 GKAARN Clc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000001915035 570448483 /nfs/dbraw/zinc/44/84/83/570448483.db2.gz WPHBYLLZHZNSFK-UHFFFAOYSA-N 0 0 399.346 6.684 50 0 GKAARN CCN(C(=O)COc1ccccc1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027992031 570448738 /nfs/dbraw/zinc/44/87/38/570448738.db2.gz SJUGCFADYMZUAU-SANMLTNESA-N 0 0 398.506 5.493 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1cccs1)c1ccccc1Cl ZINC000027992199 570448749 /nfs/dbraw/zinc/44/87/49/570448749.db2.gz NAUAEDBTAGCVMQ-UHFFFAOYSA-N 0 0 381.884 6.303 50 0 GKAARN COc1ccc(-c2nc(CCNC(=O)c3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000027993669 570448773 /nfs/dbraw/zinc/44/87/73/570448773.db2.gz QHWBEVBDUJXFTI-UHFFFAOYSA-N 0 0 394.540 5.089 50 0 GKAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc2c1 ZINC000027992759 570448782 /nfs/dbraw/zinc/44/87/82/570448782.db2.gz IGHOUMWISCGORR-UHFFFAOYSA-N 0 0 395.764 5.334 50 0 GKAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000027994498 570449004 /nfs/dbraw/zinc/44/90/04/570449004.db2.gz JWTDBOBZAAZVCM-UHFFFAOYSA-N 0 0 396.899 5.491 50 0 GKAARN COc1ccc(C2=C(Oc3cccc(C)c3)c3ccc(OC)cc3S2=O)cc1 ZINC000005619766 570449143 /nfs/dbraw/zinc/44/91/43/570449143.db2.gz VCLMFABCCMMMHP-UHFFFAOYSA-N 0 0 392.476 5.038 50 0 GKAARN COc1ccc(NC(=S)N(Cc2ccccc2)[C@H](C)c2ccccc2)cc1 ZINC000005612152 570449174 /nfs/dbraw/zinc/44/91/74/570449174.db2.gz IEVABJPDNTYRSM-GOSISDBHSA-N 0 0 376.525 5.655 50 0 GKAARN CC[C@@H]1CCc2sc(C(=O)NCc3csc(-c4cccc(C)c4)n3)cc2C1 ZINC000006489357 570449469 /nfs/dbraw/zinc/44/94/69/570449469.db2.gz RRECYCHAAAZWKP-OAHLLOKOSA-N 0 0 396.581 5.625 50 0 GKAARN CCOc1cc(C=O)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000005651974 570450265 /nfs/dbraw/zinc/45/02/65/570450265.db2.gz CGZXDIZCWCNNIF-UHFFFAOYSA-N 0 0 399.240 5.033 50 0 GKAARN O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccc(C(F)(F)F)c1 ZINC000005671051 570450504 /nfs/dbraw/zinc/45/05/04/570450504.db2.gz NDDCNLGAJNJNFX-UHFFFAOYSA-N 0 0 381.737 5.371 50 0 GKAARN O=C(OCc1cc(-c2ccc(Cl)c(Cl)c2)on1)c1c(F)cccc1F ZINC000005670439 570450599 /nfs/dbraw/zinc/45/05/99/570450599.db2.gz JZJBEEXLOLZIBH-UHFFFAOYSA-N 0 0 384.165 5.284 50 0 GKAARN COc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(F)cc3)oc2c1 ZINC000100814621 570450708 /nfs/dbraw/zinc/45/07/08/570450708.db2.gz QJWRNZFZNOSBGI-BZZOAKBMSA-N 0 0 385.398 5.356 50 0 GKAARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000005674328 570450898 /nfs/dbraw/zinc/45/08/98/570450898.db2.gz YEYDWIGSWDCLSU-LADGPHEKSA-N 0 0 388.898 6.145 50 0 GKAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc2ccccc21 ZINC000001948906 570450961 /nfs/dbraw/zinc/45/09/61/570450961.db2.gz RXMNMTVSDZKFMM-UHFFFAOYSA-N 0 0 381.431 5.302 50 0 GKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000001948994 570450989 /nfs/dbraw/zinc/45/09/89/570450989.db2.gz UBYHDDQOCJQIBO-NSIKDUERSA-N 0 0 387.049 5.645 50 0 GKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000005673464 570451014 /nfs/dbraw/zinc/45/10/14/570451014.db2.gz QDHTWZIMHLUENP-SIKLNZKXSA-N 0 0 376.481 5.389 50 0 GKAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000001950396 570451163 /nfs/dbraw/zinc/45/11/63/570451163.db2.gz YSSFGFGNJCNRDR-AWNIVKPZSA-N 0 0 387.049 5.645 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccco2)cc1 ZINC000248262207 570451267 /nfs/dbraw/zinc/45/12/67/570451267.db2.gz WWXXWPFLBDEUOV-NQIIRXRSSA-N 0 0 380.831 5.184 50 0 GKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000005683723 570451504 /nfs/dbraw/zinc/45/15/04/570451504.db2.gz RLWASFGQVCIKHC-JTHBVZDNSA-N 0 0 392.861 6.030 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Cl)c1 ZINC000001986258 570451762 /nfs/dbraw/zinc/45/17/62/570451762.db2.gz BSQPVGBQUROVBA-UHFFFAOYSA-N 0 0 385.872 5.498 50 0 GKAARN Cc1nc2ccccc2nc1SCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000028191432 570451810 /nfs/dbraw/zinc/45/18/10/570451810.db2.gz BTBZZJVGBHFENF-HNNXBMFYSA-N 0 0 387.508 5.061 50 0 GKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000001984543 570451993 /nfs/dbraw/zinc/45/19/93/570451993.db2.gz LRHKXFUYUNAYDM-IBGZPJMESA-N 0 0 397.515 5.447 50 0 GKAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005716129 570452630 /nfs/dbraw/zinc/45/26/30/570452630.db2.gz NMNLHKNOQDKXRI-FXAWDEMLSA-N 0 0 385.250 5.829 50 0 GKAARN O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccco1 ZINC000005716095 570452637 /nfs/dbraw/zinc/45/26/37/570452637.db2.gz QXESZXWIFFYCAW-UHFFFAOYSA-N 0 0 394.255 5.036 50 0 GKAARN O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1ccccc1 ZINC000001742482 570452729 /nfs/dbraw/zinc/45/27/29/570452729.db2.gz KHSORWOFDJUUMT-UHFFFAOYSA-N 0 0 399.427 5.289 50 0 biogenic GKAARN COc1cc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2cc1OC ZINC000011997267 570452989 /nfs/dbraw/zinc/45/29/89/570452989.db2.gz UCJRCJCJGUOBAP-UHFFFAOYSA-N 0 0 383.757 5.063 50 0 GKAARN COc1ccc(NC(=O)C[C@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004064253 570453904 /nfs/dbraw/zinc/45/39/04/570453904.db2.gz RTMADNHZXYVOOH-UXHICEINSA-N 0 0 381.516 5.088 50 0 biogenic GKAARN c1ccc(-c2ccc(C3=NN4[C@H](C3)c3ccccc3OC43CCCC3)cc2)cc1 ZINC000005738494 570453968 /nfs/dbraw/zinc/45/39/68/570453968.db2.gz WTBGZDJGPUSEJF-XMMPIXPASA-N 0 0 380.491 6.167 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ncccc1C ZINC000028287308 570454077 /nfs/dbraw/zinc/45/40/77/570454077.db2.gz QCXJBALYBYXLPG-UHFFFAOYSA-N 0 0 390.508 5.970 50 0 GKAARN Cc1cccc(C)c1OCC(=O)N(Cc1cccs1)c1ccccc1Cl ZINC000028286762 570454236 /nfs/dbraw/zinc/45/42/36/570454236.db2.gz QHIKWPPTLYRPRI-UHFFFAOYSA-N 0 0 385.916 5.631 50 0 GKAARN CCc1cccc(C)c1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)ncn1 ZINC000012016742 570454279 /nfs/dbraw/zinc/45/42/79/570454279.db2.gz QCRVFFXBQWAQBI-INIZCTEOSA-N 0 0 377.513 5.134 50 0 GKAARN Cc1nc(S[C@H](C)C(=O)Nc2cccc(C)c2C)cc(-c2ccccc2)n1 ZINC000012016717 570454322 /nfs/dbraw/zinc/45/43/22/570454322.db2.gz CNQJPSQEAGJNHA-MRXNPFEDSA-N 0 0 377.513 5.188 50 0 GKAARN CC1(C)C[C@@]2(O)C[C@](C)(CC3=C2C(=O)C(=NNc2ccccc2)C(C)(C)C3)C1 ZINC000252616093 570454622 /nfs/dbraw/zinc/45/46/22/570454622.db2.gz JWTRVIWJPXBZJO-DNQXCXABSA-N 0 0 380.532 5.101 50 0 GKAARN Cc1c(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)oc2cc(C)cc(C)c12 ZINC000028287941 570454628 /nfs/dbraw/zinc/45/46/28/570454628.db2.gz ADVYMVSWJQJMQZ-UHFFFAOYSA-N 0 0 388.442 5.739 50 0 GKAARN CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl ZINC000028287547 570454642 /nfs/dbraw/zinc/45/46/42/570454642.db2.gz PGRCPEBNOHLXOQ-HNNXBMFYSA-N 0 0 393.339 5.241 50 0 GKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC000028287504 570454689 /nfs/dbraw/zinc/45/46/89/570454689.db2.gz PIALWQKSWJGYTF-CQSZACIVSA-N 0 0 382.435 5.184 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000028288591 570455208 /nfs/dbraw/zinc/45/52/08/570455208.db2.gz WLIVPSGKCSSDFM-UHFFFAOYSA-N 0 0 390.508 5.454 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)cc2C)c2ccccn2c1C(=O)c1ccccc1 ZINC000005750471 570455621 /nfs/dbraw/zinc/45/56/21/570455621.db2.gz PHALLTODCDAUDS-UHFFFAOYSA-N 0 0 382.463 5.348 50 0 GKAARN O=C(c1ccc(Cl)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289614 570455721 /nfs/dbraw/zinc/45/57/21/570455721.db2.gz UCYONEJWDLPJEK-UHFFFAOYSA-N 0 0 375.230 5.375 50 0 GKAARN O=C(c1ccccc1Cl)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289611 570455734 /nfs/dbraw/zinc/45/57/34/570455734.db2.gz QCZWPOURQIKQQW-UHFFFAOYSA-N 0 0 375.230 5.375 50 0 GKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Oc3cccc(C)c3C)n2)c1 ZINC000028290506 570455970 /nfs/dbraw/zinc/45/59/70/570455970.db2.gz RFYITTDTBZLVFX-UHFFFAOYSA-N 0 0 398.915 5.567 50 0 GKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Sc3ccccc3)n2)cc1 ZINC000028291222 570455981 /nfs/dbraw/zinc/45/59/81/570455981.db2.gz YHRFLWNYDHTSEG-UHFFFAOYSA-N 0 0 386.929 5.663 50 0 GKAARN O=C(Sc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000028290914 570456007 /nfs/dbraw/zinc/45/60/07/570456007.db2.gz UMMRFSYDWYRNDN-UHFFFAOYSA-N 0 0 390.892 5.494 50 0 GKAARN O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028291450 570456009 /nfs/dbraw/zinc/45/60/09/570456009.db2.gz NICPXASUGAQAFO-UHFFFAOYSA-N 0 0 375.230 5.375 50 0 GKAARN CCOC(=O)c1c(NC(=O)CC(C)(C)C)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000022657721 570456887 /nfs/dbraw/zinc/45/68/87/570456887.db2.gz YEWDANWTGFSORO-MRXNPFEDSA-N 0 0 399.556 5.572 50 0 GKAARN COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000005788722 570456919 /nfs/dbraw/zinc/45/69/19/570456919.db2.gz OZCBWSCFDAZECJ-UHFFFAOYSA-N 0 0 381.284 5.268 50 0 GKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 ZINC000005792430 570456957 /nfs/dbraw/zinc/45/69/57/570456957.db2.gz KDDFXELCNPCQIQ-IBGZPJMESA-N 0 0 393.516 5.109 50 0 GKAARN Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1C ZINC000028292953 570457009 /nfs/dbraw/zinc/45/70/09/570457009.db2.gz RKWDMXVKAYORAZ-SFHVURJKSA-N 0 0 394.902 5.353 50 0 GKAARN O=C(CCC1CCCC1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000035816219 570457636 /nfs/dbraw/zinc/45/76/36/570457636.db2.gz XXMDLFMVKLOJQV-XMMPIXPASA-N 0 0 395.568 5.810 50 0 GKAARN CC(C)(C)c1ccc([C@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 ZINC000035818768 570457667 /nfs/dbraw/zinc/45/76/67/570457667.db2.gz LWEJWJCHBSDIJL-QHCPKHFHSA-N 0 0 387.527 5.100 50 0 GKAARN Cc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035818803 570457768 /nfs/dbraw/zinc/45/77/68/570457768.db2.gz HSJCPWLCTHHXAR-HSZRJFAPSA-N 0 0 387.527 5.731 50 0 GKAARN O=C(c1ccc(F)cc1)N1CCS[C@H]1c1ccccc1OCc1ccccc1 ZINC000035816680 570458070 /nfs/dbraw/zinc/45/80/70/570458070.db2.gz UZURMLOVJPOYBS-QHCPKHFHSA-N 0 0 393.483 5.293 50 0 GKAARN CCCCOc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c2cccnc12 ZINC000028403571 570459235 /nfs/dbraw/zinc/45/92/35/570459235.db2.gz LDOHXVDTZPEOPG-UHFFFAOYSA-N 0 0 398.890 5.393 50 0 GKAARN O=c1c2sccc2c2ccsc2cc1Cc1ccc(C(F)(F)F)cc1 ZINC000006506161 570459668 /nfs/dbraw/zinc/45/96/68/570459668.db2.gz VSOBYZUFSCKJNB-UHFFFAOYSA-N 0 0 376.424 6.086 50 0 GKAARN c1ccc(-c2nc(-c3ccccc3)c(-n3nnnc3-c3ccccc3)s2)cc1 ZINC000028405797 570459615 /nfs/dbraw/zinc/45/96/15/570459615.db2.gz KLPXLCRONRVEGT-UHFFFAOYSA-N 0 0 381.464 5.120 50 0 GKAARN CCOc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)ccc1O ZINC000005872255 570459747 /nfs/dbraw/zinc/45/97/47/570459747.db2.gz GIUIHMROXWPQEC-HTAPYJJXSA-N 0 0 392.480 5.095 50 0 GKAARN c1ccc2cc(C3=NN4[C@@H](C3)c3ccccc3O[C@@H]4c3cccnc3)ccc2c1 ZINC000028462603 570460219 /nfs/dbraw/zinc/46/02/19/570460219.db2.gz VJNPPOVVDITDQQ-UKILVPOCSA-N 0 0 377.447 5.477 50 0 GKAARN Cc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2n1 ZINC000006509189 570460963 /nfs/dbraw/zinc/46/09/63/570460963.db2.gz DBURCHYUXRGODU-UHFFFAOYSA-N 0 0 380.491 5.495 50 0 GKAARN COc1cc2c(cc1NC(=O)CCCc1c[nH]c3ccccc13)oc1ccccc12 ZINC000006508518 570461082 /nfs/dbraw/zinc/46/10/82/570461082.db2.gz GGFANOFJEBBJIJ-UHFFFAOYSA-N 0 0 398.462 6.037 50 0 GKAARN O=C(CSc1ccccc1Cl)Nc1nc(-c2ccccc2Cl)cs1 ZINC000006508238 570461169 /nfs/dbraw/zinc/46/11/69/570461169.db2.gz LTOYYHIGFJDTQA-UHFFFAOYSA-N 0 0 395.336 5.848 50 0 GKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H](C)c1ccccn1 ZINC000028784549 570464287 /nfs/dbraw/zinc/46/42/87/570464287.db2.gz NAAQQMIKGRUVRT-LLVKDONJSA-N 0 0 391.418 5.023 50 0 GKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 ZINC000006048677 570464956 /nfs/dbraw/zinc/46/49/56/570464956.db2.gz INIPQXRBSIXCMO-XUZZJYLKSA-N 0 0 388.442 5.467 50 0 GKAARN Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccco2)cc1 ZINC000006045496 570464968 /nfs/dbraw/zinc/46/49/68/570464968.db2.gz PQVCZXKHSMKPPW-VMPITWQZSA-N 0 0 393.899 5.986 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](/C(C)=C\c1ccco1)Nc1ccccc1-2 ZINC000006516629 570465026 /nfs/dbraw/zinc/46/50/26/570465026.db2.gz NTPDNBWUSVOCHQ-QQBSYFJQSA-N 0 0 394.500 5.258 50 0 GKAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000006048153 570465053 /nfs/dbraw/zinc/46/50/53/570465053.db2.gz ATVYIZLNFPIXMI-LADGPHEKSA-N 0 0 388.442 5.467 50 0 GKAARN Cc1cc(C)cc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)c1 ZINC000064459804 570465191 /nfs/dbraw/zinc/46/51/91/570465191.db2.gz BKUADCOMLZPTTR-UHFFFAOYSA-N 0 0 375.453 5.334 50 0 GKAARN O=C(Nc1cccc(F)c1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472663 570466530 /nfs/dbraw/zinc/46/65/30/570466530.db2.gz IPTILXKVNDACTQ-UHFFFAOYSA-N 0 0 380.419 5.736 50 0 GKAARN O[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000006117369 570466688 /nfs/dbraw/zinc/46/66/88/570466688.db2.gz LGYMGAWTNGCUFA-DENIHFKCSA-N 0 0 379.297 5.880 50 0 GKAARN COc1ccc(C)cc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000064471616 570466922 /nfs/dbraw/zinc/46/69/22/570466922.db2.gz JKNYIXOIBQOUBL-UHFFFAOYSA-N 0 0 393.462 5.061 50 0 GKAARN Clc1cccc(N=C2NN=C(c3ccc4c(c3)-c3ccccc3C4)CS2)c1 ZINC000006530585 570467162 /nfs/dbraw/zinc/46/71/62/570467162.db2.gz FPCWVBAJRVLSTJ-UHFFFAOYSA-N 0 0 389.911 5.830 50 0 GKAARN Cc1nc2cc(NC(=O)c3sc4nc(C(F)(F)F)ccc4c3C)ccc2o1 ZINC000029009859 570467237 /nfs/dbraw/zinc/46/72/37/570467237.db2.gz KNNDCOBVJPGJBK-UHFFFAOYSA-N 0 0 391.374 5.325 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000064472566 570467439 /nfs/dbraw/zinc/46/74/39/570467439.db2.gz WCELASMEVNVLMV-UHFFFAOYSA-N 0 0 376.456 5.906 50 0 GKAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)c(Cl)c1 ZINC000064471849 570467595 /nfs/dbraw/zinc/46/75/95/570467595.db2.gz CMTSBYVBFSCIOK-UHFFFAOYSA-N 0 0 397.931 5.129 50 0 GKAARN Cc1nn(-c2ccccc2)c2c1N=C(c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000005163167 570467952 /nfs/dbraw/zinc/46/79/52/570467952.db2.gz BSIKRVNNCBDVIF-QHCPKHFHSA-N 0 0 378.479 5.858 50 0 GKAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000029098706 570468642 /nfs/dbraw/zinc/46/86/42/570468642.db2.gz QPKFFWGWOWDVFS-IEBWSBKVSA-N 0 0 396.490 5.046 50 0 GKAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000029098722 570468776 /nfs/dbraw/zinc/46/87/76/570468776.db2.gz QPKFFWGWOWDVFS-HKUYNNGSSA-N 0 0 396.490 5.046 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000002023450 570470262 /nfs/dbraw/zinc/47/02/62/570470262.db2.gz IZVGZJPPTICOSR-UHFFFAOYSA-N 0 0 385.467 5.661 50 0 GKAARN C[C@H](CCC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(Cl)cc1 ZINC000006176156 570470727 /nfs/dbraw/zinc/47/07/27/570470727.db2.gz DVXHTNXGNXVSTD-CYBMUJFWSA-N 0 0 379.287 5.377 50 0 GKAARN COc1ccc(-c2cc(C(=O)N(CC3CC3)c3cccnc3)sc2C)cc1 ZINC000135534705 570470750 /nfs/dbraw/zinc/47/07/50/570470750.db2.gz OFAZDDWFQKKYCH-UHFFFAOYSA-N 0 0 378.497 5.184 50 0 GKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000002317979 570470770 /nfs/dbraw/zinc/47/07/70/570470770.db2.gz VFVAJHOJRABFMQ-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN COC(=O)c1ccc([C@@H]2CC(c3cc(C)sc3C)=NN2c2ccccc2)cc1 ZINC000006535530 570471117 /nfs/dbraw/zinc/47/11/17/570471117.db2.gz BSGNTDUKXCEOIR-QFIPXVFZSA-N 0 0 390.508 5.507 50 0 GKAARN CSC1=NC(=CNc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1Cl ZINC000006187564 570471543 /nfs/dbraw/zinc/47/15/43/570471543.db2.gz ZNZMRFFTUKAIRE-YBEGLDIGSA-N 0 0 392.311 5.008 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)C(=O)c1ccc([C@H](C)Oc2ccc(F)cc2)nc1 ZINC000006201071 570471768 /nfs/dbraw/zinc/47/17/68/570471768.db2.gz UAIBXYCWQNAVSG-GJZGRUSLSA-N 0 0 383.394 5.150 50 0 GKAARN C[C@@H](Oc1ccc(F)cc1)C(=O)c1ccc([C@H](C)Oc2ccc(F)cc2)nc1 ZINC000006201069 570471993 /nfs/dbraw/zinc/47/19/93/570471993.db2.gz UAIBXYCWQNAVSG-LSDHHAIUSA-N 0 0 383.394 5.150 50 0 GKAARN CCCc1cc(Nc2ccc3ccccc3c2)n2nc(-c3cccnc3)nc2n1 ZINC000064790957 570473395 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CCCCC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000032960586 570530251 /nfs/dbraw/zinc/53/02/51/570530251.db2.gz PDFPFBGKVPIBMP-UHFFFAOYSA-N 0 0 397.522 5.939 50 0 GKAARN Cc1sc(NC(=O)c2ccccc2F)c(-c2nc3ccccc3s2)c1C ZINC000005255680 570530426 /nfs/dbraw/zinc/53/04/26/570530426.db2.gz CZWZHHGEQWOXFP-UHFFFAOYSA-N 0 0 382.485 6.033 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1sc2ccccc2c1Cl ZINC000003034957 570530532 /nfs/dbraw/zinc/53/05/32/570530532.db2.gz GRNJRJGVNZAHQB-UHFFFAOYSA-N 0 0 390.213 6.479 50 0 GKAARN C[C@@H](NC(=O)c1csc(COc2cccc3ccccc32)n1)c1ccccc1 ZINC000036084745 570530579 /nfs/dbraw/zinc/53/05/79/570530579.db2.gz AEAXFDVQAZPXJL-MRXNPFEDSA-N 0 0 388.492 5.366 50 0 GKAARN Cc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1 ZINC000003042725 570530920 /nfs/dbraw/zinc/53/09/20/570530920.db2.gz JFOZEZRLLPTSNA-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCn1c(CCc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc2ccccc21 ZINC000032960788 570531437 /nfs/dbraw/zinc/53/14/37/570531437.db2.gz 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/nfs/dbraw/zinc/53/53/32/570535332.db2.gz RQGGHFFPFQPCCH-UHFFFAOYSA-N 0 0 399.288 5.102 50 0 GKAARN CCc1ccc2oc(-c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)nc2c1 ZINC000001206610 570535405 /nfs/dbraw/zinc/53/54/05/570535405.db2.gz BQJHEMYBOOUUTI-UHFFFAOYSA-N 0 0 392.480 5.166 50 0 GKAARN CSc1nc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2s1 ZINC000006316941 570537466 /nfs/dbraw/zinc/53/74/66/570537466.db2.gz QVTZOIBTNDWHAO-UHFFFAOYSA-N 0 0 392.571 5.053 50 0 GKAARN Fc1ccc([C@@H]2CC(c3cccs3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000008691461 570537631 /nfs/dbraw/zinc/53/76/31/570537631.db2.gz VGJUVRAFRKWCDN-SFHVURJKSA-N 0 0 381.501 5.435 50 0 aggregator GKAARN Cc1ccc(C)c(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)c1 ZINC000008740634 570538807 /nfs/dbraw/zinc/53/88/07/570538807.db2.gz HPNBWJYMVMJSGP-UHFFFAOYSA-N 0 0 393.317 7.334 50 0 GKAARN CC(C)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)C1CCCC1 ZINC000036105482 570540700 /nfs/dbraw/zinc/54/07/00/570540700.db2.gz IKRJAKYKWKUYAX-UHFFFAOYSA-N 0 0 392.952 5.303 50 0 GKAARN COc1cc2c(cc1CNc1ccc3c(c1)CCC3)oc(C)c2-c1ccccc1 ZINC000005032033 570541111 /nfs/dbraw/zinc/54/11/11/570541111.db2.gz CHAOBOLOMPGDRG-UHFFFAOYSA-N 0 0 383.491 6.518 50 0 GKAARN O=C(CSc1ccccc1)N(Cc1cccnc1)c1nc2ccccc2s1 ZINC000005268671 570541823 /nfs/dbraw/zinc/54/18/23/570541823.db2.gz GNGLUJWUXQSRFR-UHFFFAOYSA-N 0 0 391.521 5.017 50 0 GKAARN CCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccco1 ZINC000036105102 570541907 /nfs/dbraw/zinc/54/19/07/570541907.db2.gz BZJDGFWEJBWNFK-UHFFFAOYSA-N 0 0 398.528 5.491 50 0 GKAARN O=C(C1CCCC1)N(Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000036105574 570541918 /nfs/dbraw/zinc/54/19/18/570541918.db2.gz SBOJWKATPPDUBS-UHFFFAOYSA-N 0 0 390.936 5.057 50 0 GKAARN CC(C)CC(=O)N(Cc1csc(COc2ccccc2C(C)C)n1)C1CC1 ZINC000036105047 570542035 /nfs/dbraw/zinc/54/20/35/570542035.db2.gz GXWYPXLFAQVRJG-UHFFFAOYSA-N 0 0 386.561 5.383 50 0 GKAARN CC(C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)C1CCCC1 ZINC000036106677 570542293 /nfs/dbraw/zinc/54/22/93/570542293.db2.gz FKHINBGAURLYTL-UHFFFAOYSA-N 0 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ZINC000036114549 570543696 /nfs/dbraw/zinc/54/36/96/570543696.db2.gz IERRRLMSSLEAGL-GOSISDBHSA-N 0 0 394.540 5.092 50 0 GKAARN CCNC(=O)N(Cc1csc(COc2ccccc2C(C)C)n1)[C@H](C)CC ZINC000036115083 570544082 /nfs/dbraw/zinc/54/40/82/570544082.db2.gz UAYOPUMONNEYKI-MRXNPFEDSA-N 0 0 389.565 5.176 50 0 GKAARN CCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034796405 570544502 /nfs/dbraw/zinc/54/45/02/570544502.db2.gz SMBOANFOPFCTAZ-UHFFFAOYSA-N 0 0 393.796 5.564 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=O)CCC4)ccc21 ZINC000005269187 570544700 /nfs/dbraw/zinc/54/47/00/570544700.db2.gz UPQOVUVRKFDICZ-UHFFFAOYSA-N 0 0 386.451 5.487 50 0 GKAARN CCCCCNC(=O)C[C@H](c1cn(CC)c2ccccc12)c1ccc(C)cc1 ZINC000006704766 570544813 /nfs/dbraw/zinc/54/48/13/570544813.db2.gz SLCJGVSQCVXCEU-QFIPXVFZSA-N 0 0 376.544 5.798 50 0 GKAARN CCc1cccc2c([C@H](CC(=O)NCC(C)C)c3ccc(Cl)cc3)c[nH]c21 ZINC000006704823 570544850 /nfs/dbraw/zinc/54/48/50/570544850.db2.gz GQRLNOYFDBVLCH-HXUWFJFHSA-N 0 0 382.935 5.678 50 0 GKAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006706175 570545118 /nfs/dbraw/zinc/54/51/18/570545118.db2.gz VVNAACACNNRFAB-HSZRJFAPSA-N 0 0 394.540 5.292 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CC(C)C)c2)cc1C ZINC000006706377 570545121 /nfs/dbraw/zinc/54/51/21/570545121.db2.gz VRZFTFIYPCYLHG-JOCHJYFZSA-N 0 0 382.529 5.067 50 0 GKAARN CCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000006705498 570545129 /nfs/dbraw/zinc/54/51/29/570545129.db2.gz QDANQKCINPHHGS-NRFANRHFSA-N 0 0 376.544 5.904 50 0 GKAARN CCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006705673 570545661 /nfs/dbraw/zinc/54/56/61/570545661.db2.gz SFULFCDCXGYHQE-QFIPXVFZSA-N 0 0 382.529 5.211 50 0 GKAARN CCCCCCNC(=O)C[C@H](c1cn(CC)c2ccccc12)c1ccc(C)cc1 ZINC000006713554 570547197 /nfs/dbraw/zinc/54/71/97/570547197.db2.gz AAJMXIBCCXICCJ-QHCPKHFHSA-N 0 0 390.571 6.188 50 0 GKAARN CCCCCCNC(=O)C[C@@H](c1cn(CC)c2ccccc12)c1ccc(C)cc1 ZINC000006713558 570547229 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CCN(CC)c1onc(-c2ccccc2)c1CN(C(=O)c1cccs1)C(C)C ZINC000036208185 570569075 /nfs/dbraw/zinc/56/90/75/570569075.db2.gz WOPYGSLGAVMZQC-UHFFFAOYSA-N 0 0 397.544 5.300 50 0 GKAARN C[C@@H]1CCCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(F)cc4)cn32)C1 ZINC000006751020 570569568 /nfs/dbraw/zinc/56/95/68/570569568.db2.gz MPHZTIITWBNPAB-CQSZACIVSA-N 0 0 393.487 5.227 50 0 GKAARN Fc1ccc(CSc2nc3ncccc3n2Cc2cccc(Cl)c2)cc1 ZINC000006751064 570569603 /nfs/dbraw/zinc/56/96/03/570569603.db2.gz UZBWNQCNCQBVLH-UHFFFAOYSA-N 0 0 383.879 5.564 50 0 GKAARN C[C@@H](c1ccccc1)n1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006752597 570569733 /nfs/dbraw/zinc/56/97/33/570569733.db2.gz WWADUQAMJRTQMV-IBGZPJMESA-N 0 0 389.543 5.275 50 0 GKAARN Cc1ccc(Cn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000006752604 570569741 /nfs/dbraw/zinc/56/97/41/570569741.db2.gz DJFKCNQIYSWVIB-UHFFFAOYSA-N 0 0 389.543 5.022 50 0 GKAARN O=C(NCCCc1nc2ccccc2n1CCC1CCCCC1)C1CCCCC1 ZINC000006752596 570569758 /nfs/dbraw/zinc/56/97/58/570569758.db2.gz 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CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000006753005 570572008 /nfs/dbraw/zinc/57/20/08/570572008.db2.gz PEMGRQTUVXIFFQ-HSZRJFAPSA-N 0 0 389.499 5.251 50 0 GKAARN CC(C)(c1ccc(Br)cc1)N(Cc1nccn1C(F)F)C1CCC1 ZINC000225423548 570572525 /nfs/dbraw/zinc/57/25/25/570572525.db2.gz IYQRFVOJQXONJT-UHFFFAOYSA-N 0 0 398.295 5.331 50 0 GKAARN Cc1cc(Oc2ccccc2F)nc(SCc2cccc(C(F)(F)F)c2)n1 ZINC000037510894 570572982 /nfs/dbraw/zinc/57/29/82/570572982.db2.gz DMUJPDNEWNSIQB-UHFFFAOYSA-N 0 0 394.393 6.028 50 0 GKAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)NCCC1=CCCCC1 ZINC000032985643 570573440 /nfs/dbraw/zinc/57/34/40/570573440.db2.gz PLYGCIGYCQHHLJ-UHFFFAOYSA-N 0 0 386.495 5.287 50 0 GKAARN COc1ccc(-c2cc(OCC(=O)Nc3ccccc3C)c3ccccc3n2)cc1 ZINC000032985622 570573454 /nfs/dbraw/zinc/57/34/54/570573454.db2.gz MBUWSZAUMWKGJB-UHFFFAOYSA-N 0 0 398.462 5.236 50 0 GKAARN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2Cl)no1 ZINC000013494862 570573512 /nfs/dbraw/zinc/57/35/12/570573512.db2.gz 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O=C(NC1CCCCC1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000032995677 570577786 /nfs/dbraw/zinc/57/77/86/570577786.db2.gz XHRMTJZNKCMAEU-UHFFFAOYSA-N 0 0 390.462 5.089 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)c(C)c1 ZINC000032995703 570577787 /nfs/dbraw/zinc/57/77/87/570577787.db2.gz MNBWPVGZUZXPGO-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000006767604 570577949 /nfs/dbraw/zinc/57/79/49/570577949.db2.gz JLYKQJVKUMUXEO-UHFFFAOYSA-N 0 0 397.818 5.096 50 0 GKAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000032996316 570578236 /nfs/dbraw/zinc/57/82/36/570578236.db2.gz WXAHCUZBIUKLQQ-UHFFFAOYSA-N 0 0 386.814 5.441 50 0 GKAARN Cc1ccc(-c2nc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)no2)s1 ZINC000032996507 570578249 /nfs/dbraw/zinc/57/82/49/570578249.db2.gz NGDXMIMCNPUWOP-UHFFFAOYSA-N 0 0 394.431 5.557 50 0 GKAARN Cc1nc(-c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)no1 ZINC000032996509 570578256 /nfs/dbraw/zinc/57/82/56/570578256.db2.gz 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CCCCCc1ccc(C(=O)c2ccc(I)cc2)cc1 ZINC000043210216 570626460 /nfs/dbraw/zinc/62/64/60/570626460.db2.gz GCQDCVBJLDQYRV-UHFFFAOYSA-N 0 0 378.253 5.255 50 0 GKAARN Cc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248594 570583035 /nfs/dbraw/zinc/58/30/35/570583035.db2.gz SFRLHWDINKIMRZ-GOSISDBHSA-N 0 0 383.488 5.399 50 0 GKAARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248593 570583084 /nfs/dbraw/zinc/58/30/84/570583084.db2.gz SFRLHWDINKIMRZ-SFHVURJKSA-N 0 0 383.488 5.399 50 0 GKAARN Cc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000036248591 570583145 /nfs/dbraw/zinc/58/31/45/570583145.db2.gz PJXBKYLPUVJNDR-SFHVURJKSA-N 0 0 399.943 5.913 50 0 GKAARN CN(Cc1ccccc1Cl)C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000225522851 570583443 /nfs/dbraw/zinc/58/34/43/570583443.db2.gz RLWVYICPWRGZPP-UHFFFAOYSA-N 0 0 394.906 5.204 50 0 GKAARN COc1ccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccccc2C)cc1 ZINC000036248724 570583611 /nfs/dbraw/zinc/58/36/11/570583611.db2.gz 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CCc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033010631 570622323 /nfs/dbraw/zinc/62/23/23/570622323.db2.gz WMYYZMUNTGHVBA-UHFFFAOYSA-N 0 0 394.478 5.702 50 0 GKAARN O=C(Oc1ccc(F)cc1)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000064977300 570622474 /nfs/dbraw/zinc/62/24/74/570622474.db2.gz LATWZBNGVQKGGM-UHFFFAOYSA-N 0 0 393.801 5.002 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)cc1 ZINC000033010680 570622553 /nfs/dbraw/zinc/62/25/53/570622553.db2.gz YWOODICGCCXVQS-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN CC(=O)Nc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000005519260 570622696 /nfs/dbraw/zinc/62/26/96/570622696.db2.gz RERSUPMPBLLYAH-UHFFFAOYSA-N 0 0 378.432 5.199 50 0 GKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4cccc(C)c4)cc3)ncn2)cc1 ZINC000033010794 570622958 /nfs/dbraw/zinc/62/29/58/570622958.db2.gz HVZBBTFNHLTYNB-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)c1 ZINC000033010718 570623001 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/nfs/dbraw/zinc/65/03/39/570650339.db2.gz SSKMRDUVEDJMFU-UHFFFAOYSA-N 0 0 386.499 5.120 50 0 GKAARN O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NC1CCCCCC1 ZINC000006858264 570650600 /nfs/dbraw/zinc/65/06/00/570650600.db2.gz OXMKURQUVWABBT-UHFFFAOYSA-N 0 0 392.518 5.600 50 0 GKAARN O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000006859327 570651597 /nfs/dbraw/zinc/65/15/97/570651597.db2.gz WNTVQLVCRLQFPZ-UHFFFAOYSA-N 0 0 396.324 5.243 50 0 GKAARN Cc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1C ZINC000065031558 570652461 /nfs/dbraw/zinc/65/24/61/570652461.db2.gz GAKMHWVPAHLBPI-SFHVURJKSA-N 0 0 397.478 5.320 50 0 GKAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1C ZINC000065031556 570652467 /nfs/dbraw/zinc/65/24/67/570652467.db2.gz GAKMHWVPAHLBPI-GOSISDBHSA-N 0 0 397.478 5.320 50 0 GKAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000065031561 570652487 /nfs/dbraw/zinc/65/24/87/570652487.db2.gz ZNCYYZCFRICWTM-SFHVURJKSA-N 0 0 397.478 5.320 50 0 GKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012404013 570652669 /nfs/dbraw/zinc/65/26/69/570652669.db2.gz HVYWMOMLDIMFJA-RACBGXLOSA-N 0 0 386.664 7.389 50 0 biogenic,in-vivo GKAARN COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)c3ccco3)cc21 ZINC000065034169 570653306 /nfs/dbraw/zinc/65/33/06/570653306.db2.gz KRWXBAKTOQNFMF-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN O=C(O[C@@H]1c2cccc3cccc(c23)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000006864009 570654121 /nfs/dbraw/zinc/65/41/21/570654121.db2.gz LBVDRGZBYNJRNK-DNQXCXABSA-N 0 0 394.426 5.650 50 0 GKAARN CCOC(=O)c1cc2cc(NC(=O)c3cc4ccccc4s3)ccc2s1 ZINC000012410883 570655652 /nfs/dbraw/zinc/65/56/52/570655652.db2.gz GCDNESMYRCHNEX-UHFFFAOYSA-N 0 0 381.478 5.545 50 0 GKAARN Fc1ccc([C@@H](Cc2nnc(SCc3ccccc3)o2)c2ccco2)cc1 ZINC000012409443 570655716 /nfs/dbraw/zinc/65/57/16/570655716.db2.gz YLJKXUMFWROONY-GOSISDBHSA-N 0 0 380.444 5.469 50 0 GKAARN CCCCn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C ZINC000012411027 570656023 /nfs/dbraw/zinc/65/60/23/570656023.db2.gz WECNVWJQFXINEO-HXUWFJFHSA-N 0 0 377.532 5.283 50 0 GKAARN O=C(c1ccccc1)[C@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000004602019 570656272 /nfs/dbraw/zinc/65/62/72/570656272.db2.gz UNYMXTYUFBLPLV-HXUWFJFHSA-N 0 0 390.439 5.592 50 0 GKAARN CCc1ccccc1N(C)C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000006868636 570656527 /nfs/dbraw/zinc/65/65/27/570656527.db2.gz HKIWIOGEJMHGCT-UHFFFAOYSA-N 0 0 391.490 5.255 50 0 GKAARN O=c1cc(CNc2cccc(Cl)c2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000005574422 570656632 /nfs/dbraw/zinc/65/66/32/570656632.db2.gz BIXSRFVCFZVSMN-UHFFFAOYSA-N 0 0 377.827 5.431 50 0 GKAARN Cc1ccc(N=[P@@](c2ccncc2)(N2CCCCCC2)C(C)(C)C)c(C)c1 ZINC000005570751 570657357 /nfs/dbraw/zinc/65/73/57/570657357.db2.gz JQNNKCCGBOXDJW-MHZLTWQESA-N 0 0 383.520 6.446 50 0 GKAARN O=C(Cn1cc(SCc2ccccc2)c2ccccc21)N1CCCCCC1 ZINC000006867452 570657428 /nfs/dbraw/zinc/65/74/28/570657428.db2.gz MFENQDXUPCEDKE-UHFFFAOYSA-N 0 0 378.541 5.336 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000012419813 570657537 /nfs/dbraw/zinc/65/75/37/570657537.db2.gz SMRUYFBDBNWPFN-IBGZPJMESA-N 0 0 375.516 5.446 50 0 GKAARN CC(C)(C)c1cc(NCc2cccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000012421711 570657626 /nfs/dbraw/zinc/65/76/26/570657626.db2.gz WGHOEZFKNLIOOV-UHFFFAOYSA-N 0 0 391.906 5.354 50 0 GKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)c2cc3ccccc3o2)n1 ZINC000005576987 570659361 /nfs/dbraw/zinc/65/93/61/570659361.db2.gz BSXOXBCDAOLOEO-UHFFFAOYSA-N 0 0 388.448 5.660 50 0 GKAARN Clc1cccc2[nH]c3c(ncnc3N3CCC(Cc4ccccc4)CC3)c21 ZINC000005576589 570659473 /nfs/dbraw/zinc/65/94/73/570659473.db2.gz IRFVXGKNJXMVGM-UHFFFAOYSA-N 0 0 376.891 5.224 50 0 GKAARN CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 ZINC000048524570 570659738 /nfs/dbraw/zinc/65/97/38/570659738.db2.gz UUPZKQNIPFVUHC-RBUKOAKNSA-N 0 0 391.298 5.672 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1 ZINC000033025397 570659756 /nfs/dbraw/zinc/65/97/56/570659756.db2.gz 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ZINC000004608466 570662356 /nfs/dbraw/zinc/66/23/56/570662356.db2.gz ZNSSIPPPTAFSAY-SANMLTNESA-N 0 0 394.518 6.064 50 0 GKAARN CC(C)(C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314671 570662397 /nfs/dbraw/zinc/66/23/97/570662397.db2.gz IFWWLYSVEPSCQA-LJQANCHMSA-N 0 0 392.890 5.007 50 0 GKAARN O=C1c2ccccc2[C@@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccccc1 ZINC000004608281 570662401 /nfs/dbraw/zinc/66/24/01/570662401.db2.gz HTAFVKHTYCBPNN-FQEVSTJZSA-N 0 0 382.385 5.472 50 0 GKAARN Clc1nc(N(c2ccccc2)c2ccccc2)nc(-n2cnc3ccccc32)n1 ZINC000000851468 570663141 /nfs/dbraw/zinc/66/31/41/570663141.db2.gz DHMCPGAXHMLMOW-UHFFFAOYSA-N 0 0 398.857 5.334 50 0 GKAARN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl ZINC000000852654 570663217 /nfs/dbraw/zinc/66/32/17/570663217.db2.gz RMDJBFQOUHUNRP-CYBMUJFWSA-N 0 0 399.943 6.496 50 0 GKAARN CC(C)(C)[P@](=Nc1ccccc1C(F)(F)F)(c1ccncc1)N1CCCC1 ZINC000005496512 570663659 /nfs/dbraw/zinc/66/36/59/570663659.db2.gz NNCKDHAPAXXZOL-MHZLTWQESA-N 0 0 395.409 6.068 50 0 GKAARN C[C@@H](c1ccon1)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012440363 570664021 /nfs/dbraw/zinc/66/40/21/570664021.db2.gz XOGFRTRFLOUKDP-KRWDZBQOSA-N 0 0 378.520 5.316 50 0 GKAARN Cc1cc2oc(=O)cc(COC(=O)/C=C/c3cccc(F)c3)c2cc1C(C)C ZINC000005741357 570664486 /nfs/dbraw/zinc/66/44/86/570664486.db2.gz HNENIYKPDSUPJJ-BQYQJAHWSA-N 0 0 380.415 5.121 50 0 GKAARN Fc1ccccc1-n1c(SC/C=C/c2ccccc2)nnc1-c1cccnc1 ZINC000005687923 570664747 /nfs/dbraw/zinc/66/47/47/570664747.db2.gz MHCZFNILJXMTMS-JXMROGBWSA-N 0 0 388.471 5.274 50 0 GKAARN C[C@H](c1ccc(Cl)cc1)N(C(=O)/C=C/c1cnc2ccccc2n1)C1CC1 ZINC000097166821 570665190 /nfs/dbraw/zinc/66/51/90/570665190.db2.gz IQANMAHZDWVTHH-NRMKIYEFSA-N 0 0 377.875 5.049 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCC(c2nc3cc(C)ccc3[nH]2)CC1 ZINC000012445733 570666084 /nfs/dbraw/zinc/66/60/84/570666084.db2.gz ISBXLMIPSVCVJR-UHFFFAOYSA-N 0 0 387.483 5.254 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058092 570666531 /nfs/dbraw/zinc/66/65/31/570666531.db2.gz IFAFADXXUDQSFA-UHFFFAOYSA-N 0 0 385.398 5.327 50 0 GKAARN COc1cccc(NC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)c1 ZINC000065058077 570666547 /nfs/dbraw/zinc/66/65/47/570666547.db2.gz IVWGTBMXPSRGPI-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1cccc(NC(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000229978281 570667912 /nfs/dbraw/zinc/66/79/12/570667912.db2.gz BUHGFSNVBGDUNT-VPHKFGTKSA-N 0 0 398.506 5.920 50 0 GKAARN O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1 ZINC000004612962 570668611 /nfs/dbraw/zinc/66/86/11/570668611.db2.gz YBLBHSSRHHJKEK-UHFFFAOYSA-N 0 0 393.442 5.050 50 0 GKAARN Cc1ccc(-c2nc(CN3CCC[C@H]3c3nc4ccccc4s3)c(C)o2)s1 ZINC000012455399 570669118 /nfs/dbraw/zinc/66/91/18/570669118.db2.gz OWRJGKNXQOLBCO-KRWDZBQOSA-N 0 0 395.553 5.967 50 0 GKAARN COc1ccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000005617885 570669328 /nfs/dbraw/zinc/66/93/28/570669328.db2.gz UQBGCUOSEJYYIA-UHFFFAOYSA-N 0 0 382.463 5.780 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000005619056 570669369 /nfs/dbraw/zinc/66/93/69/570669369.db2.gz VVHBXPDZIZDONS-UHFFFAOYSA-N 0 0 392.842 5.718 50 0 GKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000012462802 570670730 /nfs/dbraw/zinc/67/07/30/570670730.db2.gz HWRBFGOYOBZVPX-IBGZPJMESA-N 0 0 399.469 5.053 50 0 GKAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCc2ccccn2)cc1 ZINC000012462172 570670734 /nfs/dbraw/zinc/67/07/34/570670734.db2.gz YECMTXMJWOBDDZ-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN Brc1ccc(OCc2nnc(SCC3CCCCC3)o2)cc1 ZINC000000862986 570671280 /nfs/dbraw/zinc/67/12/80/570671280.db2.gz UJFPFMBNGXNRCZ-UHFFFAOYSA-N 0 0 383.311 5.084 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033036453 570672443 /nfs/dbraw/zinc/67/24/43/570672443.db2.gz HGENLJVMPUUMSP-UHFFFAOYSA-N 0 0 376.843 5.506 50 0 GKAARN Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2cccc(-c3ccccc3)c2n1 ZINC000033036694 570672521 /nfs/dbraw/zinc/67/25/21/570672521.db2.gz PTEVGUPHQUNZDX-LJQANCHMSA-N 0 0 394.518 5.961 50 0 GKAARN CCOc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000012421527 570672601 /nfs/dbraw/zinc/67/26/01/570672601.db2.gz LYOIVDCBRDSPQB-UHFFFAOYSA-N 0 0 380.494 5.676 50 0 GKAARN CCc1ccc(C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 ZINC000005624013 570672765 /nfs/dbraw/zinc/67/27/65/570672765.db2.gz JDPVIRGUZRYLOG-UHFFFAOYSA-N 0 0 383.542 5.436 50 0 GKAARN Cc1nc(NCc2ccccc2F)sc1-c1ccn(Cc2ccsc2)n1 ZINC000012470507 570672821 /nfs/dbraw/zinc/67/28/21/570672821.db2.gz FXEFDDQIXWVNMN-UHFFFAOYSA-N 0 0 384.505 5.176 50 0 GKAARN Cc1ccc(-c2nc(-c3ccc(C(=O)NCc4ccccc4C)s3)no2)cc1 ZINC000065062976 570674214 /nfs/dbraw/zinc/67/42/14/570674214.db2.gz IOJMFQBWBMSINS-UHFFFAOYSA-N 0 0 389.480 5.012 50 0 GKAARN CCCN(CCC)C(=O)c1ccc(Oc2ccnc(-c3ccc(C)cc3)n2)cc1 ZINC000065063228 570674423 /nfs/dbraw/zinc/67/44/23/570674423.db2.gz XPVYRHVSTDXLKL-UHFFFAOYSA-N 0 0 389.499 5.507 50 0 GKAARN CN1c2ccccc2C(C)(C)C1=CC=Cc1cc(C(C)(C)C)[o+]c2ccccc12 ZINC000685944810 570675881 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570739998 /nfs/dbraw/zinc/73/99/98/570739998.db2.gz SSPCNCOXPLEJBV-QGZVFWFLSA-N 0 0 397.515 5.516 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1N[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000025175399 570740033 /nfs/dbraw/zinc/74/00/33/570740033.db2.gz JDBVMQNDWHRRMI-QGZVFWFLSA-N 0 0 384.483 5.081 50 0 GKAARN CCOC(=O)[C@H](C)Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000000953518 570740089 /nfs/dbraw/zinc/74/00/89/570740089.db2.gz SSPCNCOXPLEJBV-KRWDZBQOSA-N 0 0 397.515 5.516 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000025175406 570740110 /nfs/dbraw/zinc/74/01/10/570740110.db2.gz JDBVMQNDWHRRMI-KRWDZBQOSA-N 0 0 384.483 5.081 50 0 GKAARN CC[C@H](C)[C@@H](C(=O)Nc1ccc(Oc2ncccn2)cc1C)c1ccccc1 ZINC000060106337 570740483 /nfs/dbraw/zinc/74/04/83/570740483.db2.gz PRRLGZUZEZNTJA-HRAATJIYSA-N 0 0 375.472 5.346 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000000972984 570740866 /nfs/dbraw/zinc/74/08/66/570740866.db2.gz XSRAGTQBZYOTJP-JCMHNJIXSA-N 0 0 378.431 5.034 50 0 GKAARN CC[C@H](Cc1cc(OC)c(C)cc1OC)NC(=O)Nc1cccc2ccccc21 ZINC000000973741 570741333 /nfs/dbraw/zinc/74/13/33/570741333.db2.gz CSVCUIIUIQIYAS-LJQANCHMSA-N 0 0 392.499 5.308 50 0 GKAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3Cl)on2)no1 ZINC000021718924 570741453 /nfs/dbraw/zinc/74/14/53/570741453.db2.gz MEJKOMZDGILRAP-QGZVFWFLSA-N 0 0 385.851 5.084 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000000976809 570742092 /nfs/dbraw/zinc/74/20/92/570742092.db2.gz RCBKMYUHBMZTLT-UHFFFAOYSA-N 0 0 389.455 5.167 50 0 GKAARN Cc1ccc(C(=O)Nc2nnc(CSc3ccc(Cl)cc3)s2)cc1 ZINC000000990285 570742548 /nfs/dbraw/zinc/74/25/48/570742548.db2.gz AUCSHDSKHLTQQX-UHFFFAOYSA-N 0 0 375.906 5.045 50 0 GKAARN CC(C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000013039728 570743192 /nfs/dbraw/zinc/74/31/92/570743192.db2.gz JNNDDVQRXHCAAI-CQSZACIVSA-N 0 0 379.331 5.576 50 0 GKAARN O=C(CSc1ccnc2cc(Cl)ccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000000984079 570743459 /nfs/dbraw/zinc/74/34/59/570743459.db2.gz 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/nfs/dbraw/zinc/74/51/28/570745128.db2.gz AVJYWNIFDZOOJS-UHFFFAOYSA-N 0 0 382.822 5.292 50 0 GKAARN O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000000992797 570745132 /nfs/dbraw/zinc/74/51/32/570745132.db2.gz XRJNGJLDVKCYIA-UHFFFAOYSA-N 0 0 386.662 5.109 50 0 GKAARN CCn1cc(-c2nc(C(=O)Nc3ccccc3Cl)cs2)c2cccnc21 ZINC000065241108 570745333 /nfs/dbraw/zinc/74/53/33/570745333.db2.gz CHLNXHVKPLKJAU-UHFFFAOYSA-N 0 0 382.876 5.085 50 0 GKAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4oc(C(C)C)nc4c3)s2)o1 ZINC000025302374 570745909 /nfs/dbraw/zinc/74/59/09/570745909.db2.gz GXXWNHVBFWMDKY-UHFFFAOYSA-N 0 0 381.457 5.537 50 0 GKAARN COc1ccc(OC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001017396 570746034 /nfs/dbraw/zinc/74/60/34/570746034.db2.gz FOXWLGRSZYQUSG-SECBINFHSA-N 0 0 375.635 5.028 50 0 GKAARN Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc3ccccc32)o1 ZINC000001010157 570746344 /nfs/dbraw/zinc/74/63/44/570746344.db2.gz DBPFQGJYVMXXAX-XQNSMLJCSA-N 0 0 396.446 5.151 50 0 GKAARN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc12 ZINC000001013130 570746864 /nfs/dbraw/zinc/74/68/64/570746864.db2.gz KTIKKKAOBSZCHZ-BKUYFWCQSA-N 0 0 389.476 5.393 50 0 GKAARN CC[C@@H]1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2CC)c1 ZINC000013115908 570747013 /nfs/dbraw/zinc/74/70/13/570747013.db2.gz ZTIVJQZPGREOEC-BGYRXZFFSA-N 0 0 386.540 5.279 50 0 GKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccccc2)N1 ZINC000013121684 570747295 /nfs/dbraw/zinc/74/72/95/570747295.db2.gz SMBRLEUCIAAKQD-FQEVSTJZSA-N 0 0 383.476 5.219 50 0 aggregator GKAARN Cc1cccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c1 ZINC000033062273 570748689 /nfs/dbraw/zinc/74/86/89/570748689.db2.gz AZHGBPCVFMSVRE-NRFANRHFSA-N 0 0 387.458 5.569 50 0 GKAARN Cc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000033062257 570748723 /nfs/dbraw/zinc/74/87/23/570748723.db2.gz PVSMXCUGPBXRKG-NRFANRHFSA-N 0 0 387.458 5.569 50 0 GKAARN COc1ccc(/C=C2/c3cc(C)ccc3-c3nc4ccccc4nc32)cc1OC ZINC000004416256 570749912 /nfs/dbraw/zinc/74/99/12/570749912.db2.gz ZLXRGTFCSLIZRY-UYRXBGFRSA-N 0 0 380.447 5.525 50 0 GKAARN Fc1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)cc1 ZINC000001075524 570750250 /nfs/dbraw/zinc/75/02/50/570750250.db2.gz MMVWJILBLWABQD-UHFFFAOYSA-N 0 0 382.438 5.956 50 0 GKAARN Cc1cc2oc(=O)cc(COC(=O)/C=C/c3ccc(F)cc3)c2cc1C(C)C ZINC000005667960 570750467 /nfs/dbraw/zinc/75/04/67/570750467.db2.gz KTGLFMRUFWQENV-RMKNXTFCSA-N 0 0 380.415 5.121 50 0 GKAARN Clc1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)c(Cl)c1 ZINC000013226692 570750594 /nfs/dbraw/zinc/75/05/94/570750594.db2.gz YROJWYOAASETNN-ZDUSSCGKSA-N 0 0 399.281 5.132 50 0 GKAARN CCN(C(=O)c1c(C)c(-c2cnn(C(C)C)c2)nc2ccc(C)cc21)C(C)C ZINC000063845973 570750711 /nfs/dbraw/zinc/75/07/11/570750711.db2.gz BIIARNWLJLLLPC-UHFFFAOYSA-N 0 0 378.520 5.167 50 0 GKAARN CCN(C(=O)c1cc(-c2cnn(C(C)C)c2)nc2c(C)c(C)ccc12)C(C)C ZINC000063834035 570750770 /nfs/dbraw/zinc/75/07/70/570750770.db2.gz YVIWOPOFGDOTAR-UHFFFAOYSA-N 0 0 378.520 5.167 50 0 GKAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(SC)n1 ZINC000013228265 570751265 /nfs/dbraw/zinc/75/12/65/570751265.db2.gz NGLUNIUVQQVXSD-UHFFFAOYSA-N 0 0 395.578 5.839 50 0 GKAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000036615989 570751575 /nfs/dbraw/zinc/75/15/75/570751575.db2.gz AZZHRCSKHWWCKT-JOCHJYFZSA-N 0 0 388.515 5.086 50 0 GKAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000036615990 570751589 /nfs/dbraw/zinc/75/15/89/570751589.db2.gz AZZHRCSKHWWCKT-QFIPXVFZSA-N 0 0 388.515 5.086 50 0 GKAARN Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnc(C(C)C)nc3)nc2c1C ZINC000063857359 570751718 /nfs/dbraw/zinc/75/17/18/570751718.db2.gz JZIYHNDPWKGAAF-INIZCTEOSA-N 0 0 388.515 5.057 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3cccc(Cl)c3)c12 ZINC000036616198 570751933 /nfs/dbraw/zinc/75/19/33/570751933.db2.gz CLWKSFKVIPLIJA-UHFFFAOYSA-N 0 0 394.837 5.082 50 0 GKAARN Fc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000013284566 570752679 /nfs/dbraw/zinc/75/26/79/570752679.db2.gz RVCRBNPVJHMESG-UHFFFAOYSA-N 0 0 383.253 6.857 50 0 GKAARN O=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000003150349 570752964 /nfs/dbraw/zinc/75/29/64/570752964.db2.gz PBGTYZJPHWFPCP-CQSZACIVSA-N 0 0 395.138 5.558 50 0 GKAARN CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000013303689 570753218 /nfs/dbraw/zinc/75/32/18/570753218.db2.gz RKQCSUHXBSQICK-FAMVBUEOSA-N 0 0 399.321 6.136 50 0 GKAARN Cn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1c(Cl)cccc1Cl ZINC000036616655 570753238 /nfs/dbraw/zinc/75/32/38/570753238.db2.gz PEFDUUYRCKCWEX-UHFFFAOYSA-N 0 0 397.265 5.194 50 0 GKAARN Cc1ccc2nc(NC(=O)c3csc(COc4ccc(F)cc4)n3)sc2c1 ZINC000022991393 570753277 /nfs/dbraw/zinc/75/32/77/570753277.db2.gz ZPEDCLJHSSXNBK-UHFFFAOYSA-N 0 0 399.472 5.032 50 0 GKAARN Fc1cccc(-c2nnc([C@H](Nc3ccccc3)c3ccc(F)cc3Cl)o2)c1 ZINC000013364550 570753954 /nfs/dbraw/zinc/75/39/54/570753954.db2.gz BNQNXSWQBUJMND-LJQANCHMSA-N 0 0 397.812 5.870 50 0 GKAARN Cc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000096515456 570754202 /nfs/dbraw/zinc/75/42/02/570754202.db2.gz VNOAQSIICYONQW-UHFFFAOYSA-N 0 0 399.450 5.358 50 0 GKAARN Cc1cc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c(C)o1 ZINC000206896401 570755216 /nfs/dbraw/zinc/75/52/16/570755216.db2.gz ZWUKEVPAGANBKT-UHFFFAOYSA-N 0 0 392.455 6.078 50 0 GKAARN O=C(COc1cccc2ccccc21)Nc1ccccc1-c1cn2ccccc2n1 ZINC000206897677 570755237 /nfs/dbraw/zinc/75/52/37/570755237.db2.gz UIQMISJAMCGSMA-UHFFFAOYSA-N 0 0 393.446 5.172 50 0 GKAARN Cc1ccc(Cc2c(C)nc(SCc3c(F)cccc3Cl)[nH]c2=O)cc1 ZINC000013463756 570755285 /nfs/dbraw/zinc/75/52/85/570755285.db2.gz LRDITVDJFXBSBW-UHFFFAOYSA-N 0 0 388.895 5.475 50 0 GKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)n1 ZINC000064801244 570756501 /nfs/dbraw/zinc/75/65/01/570756501.db2.gz DSEVZRMRPNAFTN-UHFFFAOYSA-N 0 0 390.491 5.221 50 0 GKAARN Cc1c(-c2ccc(C)cc2)nn(Cc2cccc(Cl)c2)c1-c1ccc(C)cc1 ZINC000036611529 570756486 /nfs/dbraw/zinc/75/64/86/570756486.db2.gz 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ZINC000064984940 570757367 /nfs/dbraw/zinc/75/73/67/570757367.db2.gz INOQSHSCZKWICH-SFHVURJKSA-N 0 0 386.879 5.260 50 0 GKAARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000064984160 570757381 /nfs/dbraw/zinc/75/73/81/570757381.db2.gz XQLWIBUKRDLCPJ-HSZRJFAPSA-N 0 0 383.557 5.180 50 0 GKAARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000064984147 570757438 /nfs/dbraw/zinc/75/74/38/570757438.db2.gz LQQJZQZESLPFQY-GFCCVEGCSA-N 0 0 375.968 5.077 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C)c12 ZINC000036613471 570757536 /nfs/dbraw/zinc/75/75/36/570757536.db2.gz TXOCMQRYCMQZKI-UHFFFAOYSA-N 0 0 396.494 5.226 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(C)c(C)c3)c12 ZINC000036613726 570757563 /nfs/dbraw/zinc/75/75/63/570757563.db2.gz BXKQQFTTZXWYBJ-UHFFFAOYSA-N 0 0 375.403 5.206 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(Cl)c3)c12 ZINC000036613803 570757650 /nfs/dbraw/zinc/75/76/50/570757650.db2.gz FHMGNADJWAVGOR-UHFFFAOYSA-N 0 0 381.794 5.243 50 0 GKAARN CCc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)c1 ZINC000036613835 570757682 /nfs/dbraw/zinc/75/76/82/570757682.db2.gz HSGMXPZTMWAKQT-UHFFFAOYSA-N 0 0 375.403 5.152 50 0 GKAARN Cc1nn(C)cc1[C@H](C)Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000036613792 570757686 /nfs/dbraw/zinc/75/76/86/570757686.db2.gz XHIZZKQCLHRQJB-JTQLQIEISA-N 0 0 395.816 5.031 50 0 GKAARN CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000013551074 570757955 /nfs/dbraw/zinc/75/79/55/570757955.db2.gz UYJLSLUTGWDOPT-UHFFFAOYSA-N 0 0 382.489 5.255 50 0 GKAARN COc1ccc2cc([C@H](C)C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)ccc2c1 ZINC000032718854 570758446 /nfs/dbraw/zinc/75/84/46/570758446.db2.gz KBGQRHZWGMMACA-UONOGXRCSA-N 0 0 379.422 5.141 50 0 GKAARN O=C(Oc1cccc2cccnc21)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000001157604 570758591 /nfs/dbraw/zinc/75/85/91/570758591.db2.gz UEORRJHSGMOQOJ-UHFFFAOYSA-N 0 0 391.430 5.307 50 0 GKAARN Cc1c(OC(=O)c2cccs2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000001157624 570758664 /nfs/dbraw/zinc/75/86/64/570758664.db2.gz TVTWROBBFWDNSO-UHFFFAOYSA-N 0 0 390.460 5.281 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3c(C)cccc3C)c2C)c1-c1cccc(C)c1 ZINC000021914368 570758665 /nfs/dbraw/zinc/75/86/65/570758665.db2.gz BYAGDACRZOWMSG-UHFFFAOYSA-N 0 0 384.483 5.191 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000021914833 570758691 /nfs/dbraw/zinc/75/86/91/570758691.db2.gz JGLXHRPBYBCINQ-UHFFFAOYSA-N 0 0 384.483 5.136 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)cc3C)c2C)c1-c1cccc(C)c1 ZINC000021914439 570758796 /nfs/dbraw/zinc/75/87/96/570758796.db2.gz MEXCAUPQBHSVTG-UHFFFAOYSA-N 0 0 384.483 5.191 50 0 GKAARN CCN(CC)C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c21 ZINC000036618474 570759849 /nfs/dbraw/zinc/75/98/49/570759849.db2.gz SVRYWMNNQUHRFN-UHFFFAOYSA-N 0 0 395.459 5.239 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2C)c1 ZINC000013584585 570760707 /nfs/dbraw/zinc/76/07/07/570760707.db2.gz YMDKQSSQMJKMJA-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN CSCC[C@H](NC(=O)CC(C)C)c1nc2ccccc2n1Cc1ccccc1 ZINC000013618428 570763310 /nfs/dbraw/zinc/76/33/10/570763310.db2.gz BJDAPQCKTIEWKU-FQEVSTJZSA-N 0 0 395.572 5.041 50 0 GKAARN O=C(Cn1ccc2ccccc21)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206990332 570764132 /nfs/dbraw/zinc/76/41/32/570764132.db2.gz DIJKBUJSPOIULS-HXUWFJFHSA-N 0 0 384.932 5.002 50 0 GKAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCS[C@H](c2ccccc2)CC1 ZINC000206987566 570764165 /nfs/dbraw/zinc/76/41/65/570764165.db2.gz UMXIMGCSHLUPTI-NRFANRHFSA-N 0 0 380.488 5.141 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000036620558 570764365 /nfs/dbraw/zinc/76/43/65/570764365.db2.gz GJCRXZXRWVRZGR-IBGZPJMESA-N 0 0 377.937 5.163 50 0 GKAARN C[C@@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1Cc1ccccc1 ZINC000013646580 570765962 /nfs/dbraw/zinc/76/59/62/570765962.db2.gz SWEBGSKWUCRRHR-MRXNPFEDSA-N 0 0 389.886 5.229 50 0 GKAARN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1C[C@@H](O)c1ccccc1 ZINC000065409475 570767509 /nfs/dbraw/zinc/76/75/09/570767509.db2.gz 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/nfs/dbraw/zinc/77/53/11/570775311.db2.gz OHLYQFHABKIXHO-FLIBITNWSA-N 0 0 377.658 5.301 50 0 GKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000036635974 570775357 /nfs/dbraw/zinc/77/53/57/570775357.db2.gz ULOFMBZPUPHHAC-UHFFFAOYSA-N 0 0 397.496 5.671 50 0 GKAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cccnc1Nc1cccc(F)c1 ZINC000051065678 570775722 /nfs/dbraw/zinc/77/57/22/570775722.db2.gz WLTDSCYPFKUBHO-UHFFFAOYSA-N 0 0 391.324 5.115 50 0 GKAARN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1 ZINC000004644278 570776258 /nfs/dbraw/zinc/77/62/58/570776258.db2.gz QJGXLUBCDJSPNA-UHFFFAOYSA-N 0 0 388.467 5.288 50 0 GKAARN C[C@H](Oc1cc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000066345965 570776594 /nfs/dbraw/zinc/77/65/94/570776594.db2.gz URFUZAZEKBBCEY-LURJTMIESA-N 0 0 380.044 5.012 50 0 GKAARN CCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 ZINC000004644543 570776885 /nfs/dbraw/zinc/77/68/85/570776885.db2.gz COLLWGGDWMFTCR-PDGQHHTCSA-N 0 0 390.266 5.517 50 0 GKAARN Fc1cccc(Cl)c1CN[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000022024829 570777578 /nfs/dbraw/zinc/77/75/78/570777578.db2.gz FGDAWWAFLHJPQD-OAQYLSRUSA-N 0 0 379.866 5.429 50 0 GKAARN C[C@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 ZINC000036646387 570782319 /nfs/dbraw/zinc/78/23/19/570782319.db2.gz UQJNKLJIIGWUQI-KRWDZBQOSA-N 0 0 390.483 5.132 50 0 GKAARN Cc1cc(-c2nnc(CSc3nc(C)nc4sc(C)c(C)c43)o2)c(C)o1 ZINC000007090062 570784495 /nfs/dbraw/zinc/78/44/95/570784495.db2.gz KAJZGSIWONQTIV-UHFFFAOYSA-N 0 0 386.502 5.169 50 0 GKAARN COc1cccc2c1O[C@@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000169713132 570784832 /nfs/dbraw/zinc/78/48/32/570784832.db2.gz OXUTWAQDJGPUBG-REWPJTCUSA-N 0 0 390.870 5.591 50 0 GKAARN Cc1ccc(-c2noc(C3CCN(C(=O)Nc4cccc(C)c4C)CC3)n2)cc1 ZINC000004457182 570784971 /nfs/dbraw/zinc/78/49/71/570784971.db2.gz UJFVHCHFDCHQRL-UHFFFAOYSA-N 0 0 390.487 5.073 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)o1 ZINC000013751533 570785074 /nfs/dbraw/zinc/78/50/74/570785074.db2.gz OQPHJABODZIHKL-DENIHFKCSA-N 0 0 378.859 5.792 50 0 GKAARN O=C(COCc1nc2ccccc2s1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032740731 570786145 /nfs/dbraw/zinc/78/61/45/570786145.db2.gz IVGPSZRSBWKWAZ-UHFFFAOYSA-N 0 0 386.476 5.023 50 0 GKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000032731733 570788047 /nfs/dbraw/zinc/78/80/47/570788047.db2.gz OECCNUYJJZKCOY-UHFFFAOYSA-N 0 0 382.895 5.497 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccccc1SC(F)F ZINC000032738216 570789341 /nfs/dbraw/zinc/78/93/41/570789341.db2.gz GYZLIDSUOTYHSR-UHFFFAOYSA-N 0 0 391.418 5.195 50 0 GKAARN O=C(NCCc1cccs1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000032753124 570790741 /nfs/dbraw/zinc/79/07/41/570790741.db2.gz QCIMCGRMRPPWSE-UHFFFAOYSA-N 0 0 392.455 5.182 50 0 GKAARN CCOC(=O)c1c2cc(OC(=O)c3ccco3)ccc2oc1-c1ccccc1 ZINC000001181896 570791354 /nfs/dbraw/zinc/79/13/54/570791354.db2.gz COTKCUZZNQUBNU-UHFFFAOYSA-N 0 0 376.364 5.089 50 0 GKAARN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 ZINC000032752815 570791790 /nfs/dbraw/zinc/79/17/90/570791790.db2.gz XDKAHWPMYUXSSE-QGZVFWFLSA-N 0 0 379.456 5.009 50 0 GKAARN Cc1nc(-c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)co1 ZINC000032752861 570791819 /nfs/dbraw/zinc/79/18/19/570791819.db2.gz DRMCLXPUOABTEY-UHFFFAOYSA-N 0 0 382.463 5.811 50 0 GKAARN O=C(CCC(=O)N1CCS[C@H](c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000219466971 570792756 /nfs/dbraw/zinc/79/27/56/570792756.db2.gz WSNBGKNNVKBZGX-SFHVURJKSA-N 0 0 393.961 5.071 50 0 GKAARN O=C(c1nc(Cl)ccc1Cl)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024386705 570793105 /nfs/dbraw/zinc/79/31/05/570793105.db2.gz MXDPQIZEKZWQHM-CYBMUJFWSA-N 0 0 392.311 5.366 50 0 GKAARN CCCC[C@H]1C=CCN1C(=O)c1cccc(-c2cccc3c(=O)cc(C)[nH]c23)c1 ZINC000534583401 570793332 /nfs/dbraw/zinc/79/33/32/570793332.db2.gz VMGZZROLSTTWNE-FQEVSTJZSA-N 0 0 386.495 5.074 50 0 GKAARN Cc1cccc2[nH]nc(-c3ccc(C(=O)N(Cc4ccccc4C)C(C)C)cc3)c21 ZINC000534651793 570793403 /nfs/dbraw/zinc/79/34/03/570793403.db2.gz SFRUXRZDBGDDLN-UHFFFAOYSA-N 0 0 397.522 5.898 50 0 GKAARN COc1ccc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)cc1OC ZINC000065319296 570793418 /nfs/dbraw/zinc/79/34/18/570793418.db2.gz VUCHCIQFNXEGQW-UHFFFAOYSA-N 0 0 381.501 5.444 50 0 GKAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2ccc(C)c(C)n2)cc1 ZINC000534654448 570793598 /nfs/dbraw/zinc/79/35/98/570793598.db2.gz LKGWCYQKGGSCKD-XMMPIXPASA-N 0 0 387.527 5.764 50 0 GKAARN CC(C)(C)C1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000005825257 570795186 /nfs/dbraw/zinc/79/51/86/570795186.db2.gz WPNOEKXQCHCHPF-BKHHGCLFSA-N 0 0 399.361 7.486 50 0 GKAARN C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005829728 570795565 /nfs/dbraw/zinc/79/55/65/570795565.db2.gz HXTCBTUAWYBYMW-SBNSQYLKSA-N 0 0 389.495 5.438 50 0 aggregator GKAARN Fc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccco3)n2)cc1 ZINC000004477912 570796005 /nfs/dbraw/zinc/79/60/05/570796005.db2.gz KYYMPAXIKZPOPT-KRWDZBQOSA-N 0 0 395.484 5.959 50 0 GKAARN O=C(Cc1c(Cl)cc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl ZINC000005670670 570796222 /nfs/dbraw/zinc/79/62/22/570796222.db2.gz OBIUGALBKUDYPN-UHFFFAOYSA-N 0 0 384.473 6.102 50 0 GKAARN CCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1ccccc1C ZINC000032753776 570796515 /nfs/dbraw/zinc/79/65/15/570796515.db2.gz BVXYPQBIHBCBDA-UHFFFAOYSA-N 0 0 397.474 5.744 50 0 GKAARN COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccccc1F)oc1ccccc12 ZINC000005860082 570797622 /nfs/dbraw/zinc/79/76/22/570797622.db2.gz DUEBFLBCHUJJRL-CYBMUJFWSA-N 0 0 379.387 5.140 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000032755303 570797782 /nfs/dbraw/zinc/79/77/82/570797782.db2.gz MKOPOAFWJUDPKK-UHFFFAOYSA-N 0 0 397.759 5.244 50 0 GKAARN Cc1ccccc1-c1nnc(SCc2csc(-c3ccc(F)cc3)n2)n1C ZINC000005861521 570798125 /nfs/dbraw/zinc/79/81/25/570798125.db2.gz IJGNRRDGCRULGF-UHFFFAOYSA-N 0 0 396.516 5.345 50 0 GKAARN CCOc1c(Br)cc(C(=O)Nc2ccccc2C(C)C)cc1OC ZINC000005672862 570798712 /nfs/dbraw/zinc/79/87/12/570798712.db2.gz 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/nfs/dbraw/zinc/87/30/74/570873074.db2.gz SLSVRABMFYQLNO-UHFFFAOYSA-N 0 0 390.535 5.439 50 0 GKAARN O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000170615643 570873484 /nfs/dbraw/zinc/87/34/84/570873484.db2.gz XAGYQRICQKLTCF-HNNXBMFYSA-N 0 0 375.211 5.171 50 0 GKAARN CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1cc2cccc(C)c2nc1Cl ZINC000170615630 570873487 /nfs/dbraw/zinc/87/34/87/570873487.db2.gz KUBVCHNCPIGRHV-LJQANCHMSA-N 0 0 381.838 5.033 50 0 GKAARN CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1cc2cccc(C)c2nc1Cl ZINC000170615629 570873492 /nfs/dbraw/zinc/87/34/92/570873492.db2.gz KUBVCHNCPIGRHV-IBGZPJMESA-N 0 0 381.838 5.033 50 0 GKAARN CCCCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)c2ccccc12 ZINC000170615106 570873504 /nfs/dbraw/zinc/87/35/04/570873504.db2.gz ZMRGWBUGEUZAKY-QGZVFWFLSA-N 0 0 383.513 5.058 50 0 GKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)C)cc2)N3)C1 ZINC000004554835 570874035 /nfs/dbraw/zinc/87/40/35/570874035.db2.gz HFAOYHOQFKTMMS-LAUBAEHRSA-N 0 0 396.600 6.842 50 0 GKAARN O=C(c1csc(-c2ccsc2)n1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024471767 570874214 /nfs/dbraw/zinc/87/42/14/570874214.db2.gz GDRCZDPZRJWWKU-UHFFFAOYSA-N 0 0 394.443 5.483 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000007542601 570877147 /nfs/dbraw/zinc/87/71/47/570877147.db2.gz LGKMDHMSPFVXPF-MRXNPFEDSA-N 0 0 381.907 5.400 50 0 GKAARN O=C(Oc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1)c1ccccc1 ZINC000003584782 570877149 /nfs/dbraw/zinc/87/71/49/570877149.db2.gz ALWGVTKOHBTSPG-UHFFFAOYSA-N 0 0 376.799 5.276 50 0 GKAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000007544860 570877668 /nfs/dbraw/zinc/87/76/68/570877668.db2.gz LPWLOSXJIVAHBQ-HKUYNNGSSA-N 0 0 399.469 5.305 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007544370 570877760 /nfs/dbraw/zinc/87/77/60/570877760.db2.gz NGWPOLVPDFGMNB-QGZVFWFLSA-N 0 0 395.934 5.791 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000103141393 570877810 /nfs/dbraw/zinc/87/78/10/570877810.db2.gz MYNCPRYCNHJTKD-FGSXEWAUSA-N 0 0 394.515 5.139 50 0 GKAARN CN(C(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1)C1CCCCC1 ZINC000033261348 570877967 /nfs/dbraw/zinc/87/79/67/570877967.db2.gz AXPWCFJHPCZPDT-UHFFFAOYSA-N 0 0 386.499 5.292 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000170620631 570878604 /nfs/dbraw/zinc/87/86/04/570878604.db2.gz CKIBINFRWKCEMV-QFIPXVFZSA-N 0 0 380.532 6.276 50 0 GKAARN Fc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1 ZINC000033262448 570878657 /nfs/dbraw/zinc/87/86/57/570878657.db2.gz VRFVURAXMGLDKD-UHFFFAOYSA-N 0 0 398.850 5.278 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@H](O)c1ccncc1 ZINC000103168373 570879251 /nfs/dbraw/zinc/87/92/51/570879251.db2.gz DFAQFCNSQFINIH-YYHOYYQESA-N 0 0 387.460 5.154 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2csc3c2CC[C@@H](c2ccccc2)C3)cc1 ZINC000012582513 570879566 /nfs/dbraw/zinc/87/95/66/570879566.db2.gz AUQHVXZGUGCSQR-QGZVFWFLSA-N 0 0 390.508 5.231 50 0 GKAARN CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccccc4)c3n2)cc1 ZINC000003639347 570879627 /nfs/dbraw/zinc/87/96/27/570879627.db2.gz QYXGEFSRWOZPPH-UHFFFAOYSA-N 0 0 397.400 5.869 50 0 GKAARN COc1ccc2oc([C@H](C)NC(=O)[C@H]3CCCO[C@@H]3c3ccccc3)c(C)c2c1 ZINC000170622509 570879797 /nfs/dbraw/zinc/87/97/97/570879797.db2.gz DHWRAXAIODYMCT-BTCOZLQPSA-N 0 0 393.483 5.095 50 0 GKAARN COc1cc2c(cc1NC(=O)COc1cc(C)cc(C)c1)oc1ccccc12 ZINC000003642211 570879906 /nfs/dbraw/zinc/87/99/06/570879906.db2.gz SUTOLZSIAPPHTC-UHFFFAOYSA-N 0 0 375.424 5.229 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccsc1)Cc1ccccn1 ZINC000044446219 570879986 /nfs/dbraw/zinc/87/99/86/570879986.db2.gz WZGRSZLVGNVSQW-UHFFFAOYSA-N 0 0 391.418 5.396 50 0 GKAARN O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447600 570880054 /nfs/dbraw/zinc/88/00/54/570880054.db2.gz KEIWATMLZXRWLE-UHFFFAOYSA-N 0 0 389.442 5.471 50 0 GKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C(C)=C/c2ccccc2)N3)C1 ZINC000004553460 570880253 /nfs/dbraw/zinc/88/02/53/570880253.db2.gz BSAZLPIDHYDOHS-KETOAJNGSA-N 0 0 394.584 6.449 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)[C@H]1C ZINC000103200590 570880549 /nfs/dbraw/zinc/88/05/49/570880549.db2.gz CTMCIHLEQRWJKC-DXIQSLLYSA-N 0 0 378.516 5.072 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 ZINC000015106898 570881177 /nfs/dbraw/zinc/88/11/77/570881177.db2.gz UBYQGQKUABVZBL-HIFRSBDPSA-N 0 0 383.513 5.102 50 0 GKAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)cc2)cs1 ZINC000012586184 570881251 /nfs/dbraw/zinc/88/12/51/570881251.db2.gz FJVQJHWJRDUADM-CYBMUJFWSA-N 0 0 385.920 5.519 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000003655382 570881277 /nfs/dbraw/zinc/88/12/77/570881277.db2.gz CGSBZNKDMOMNSC-UHFFFAOYSA-N 0 0 377.346 5.194 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000003655373 570881282 /nfs/dbraw/zinc/88/12/82/570881282.db2.gz JTWSUMLPUMJKBP-UHFFFAOYSA-N 0 0 375.811 5.570 50 0 GKAARN Cc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000003655356 570881348 /nfs/dbraw/zinc/88/13/48/570881348.db2.gz ZKSWXKZKBKOXML-UHFFFAOYSA-N 0 0 389.838 5.878 50 0 GKAARN CCCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000003655431 570881353 /nfs/dbraw/zinc/88/13/53/570881353.db2.gz BRVHEMHXLKOXAD-UHFFFAOYSA-N 0 0 399.446 5.705 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1ccccc1Cl ZINC000003655371 570881437 /nfs/dbraw/zinc/88/14/37/570881437.db2.gz YAMXLKKRYMUUMB-UHFFFAOYSA-N 0 0 375.811 5.570 50 0 GKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1cccc(O)c1)CC(=O)N2 ZINC000015107540 570881554 /nfs/dbraw/zinc/88/15/54/570881554.db2.gz GNYJRGQYOVIBHZ-INIZCTEOSA-N 0 0 396.443 5.277 50 0 GKAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3C)cc2)cs1 ZINC000012586407 570881782 /nfs/dbraw/zinc/88/17/82/570881782.db2.gz VBENQWNZNCQEOZ-ZDUSSCGKSA-N 0 0 385.920 5.519 50 0 GKAARN Cc1c(C(=O)Nc2cccc3cccnc32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024497012 570882433 /nfs/dbraw/zinc/88/24/33/570882433.db2.gz 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570884222 /nfs/dbraw/zinc/88/42/22/570884222.db2.gz SNKZVXISWZDBAF-MRXNPFEDSA-N 0 0 391.540 5.835 50 0 GKAARN COc1cc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000170630017 570884319 /nfs/dbraw/zinc/88/43/19/570884319.db2.gz KSLHXPOVXAYWPQ-UHFFFAOYSA-N 0 0 381.482 5.128 50 0 GKAARN COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC1CCCC1 ZINC000024505362 570884862 /nfs/dbraw/zinc/88/48/62/570884862.db2.gz CDIVDVGACQUHFJ-UHFFFAOYSA-N 0 0 379.378 5.288 50 0 GKAARN Cc1ccc(Sc2ccc(NC(=O)C[C@H](C)c3ccccc3)cc2)c(C)c1 ZINC000012598817 570885458 /nfs/dbraw/zinc/88/54/58/570885458.db2.gz OGQVXAODAURKNY-SFHVURJKSA-N 0 0 375.537 6.587 50 0 GKAARN c1nn(-c2ccccc2)c2ncnc(NC3CCCCCCCCCCC3)c12 ZINC000003912186 570886120 /nfs/dbraw/zinc/88/61/20/570886120.db2.gz FSHNRWFBWCLAOY-UHFFFAOYSA-N 0 0 377.536 5.901 50 0 GKAARN c1ccc2cc(C3=NN4[C@@H](C3)c3ccccc3O[C@H]4c3cccnc3)ccc2c1 ZINC000103526457 570886203 /nfs/dbraw/zinc/88/62/03/570886203.db2.gz VJNPPOVVDITDQQ-ZCYQVOJMSA-N 0 0 377.447 5.477 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccccn4)cc3)sc2c1 ZINC000012599822 570886452 /nfs/dbraw/zinc/88/64/52/570886452.db2.gz MLXGYLYCRRKCPT-UHFFFAOYSA-N 0 0 391.521 5.398 50 0 GKAARN O=C(CCCSc1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 ZINC000009910413 570886995 /nfs/dbraw/zinc/88/69/95/570886995.db2.gz GQDNXCOTRFMQNQ-UHFFFAOYSA-N 0 0 394.974 6.036 50 0 GKAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1O ZINC000071283392 570887065 /nfs/dbraw/zinc/88/70/65/570887065.db2.gz VUXGCRAIWGOYTO-SFHVURJKSA-N 0 0 387.505 5.084 50 0 GKAARN COc1c(Cl)cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1Cl ZINC000004566800 570887612 /nfs/dbraw/zinc/88/76/12/570887612.db2.gz VGURUPMLXXLXTP-QMMMGPOBSA-N 0 0 395.311 5.092 50 0 GKAARN O=C(Nc1cccc2c1CCCC2)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267224 570887818 /nfs/dbraw/zinc/88/78/18/570887818.db2.gz HHINAIBGVCEAIO-UHFFFAOYSA-N 0 0 379.463 5.428 50 0 GKAARN Cc1nccc(-c2cccc(NCc3ncc(-c4cccc(Cl)c4)o3)c2)n1 ZINC000046720577 570888254 /nfs/dbraw/zinc/88/82/54/570888254.db2.gz 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O=C(NC12CC3CC(CC(C3)C1)C2)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000012618273 570891252 /nfs/dbraw/zinc/89/12/52/570891252.db2.gz KBDOHEHFVZMXIF-PHYASCTBSA-N 0 0 389.583 5.610 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000032894322 570891272 /nfs/dbraw/zinc/89/12/72/570891272.db2.gz OZPZHHCMQDYQFU-UHFFFAOYSA-N 0 0 382.463 5.426 50 0 GKAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000004564385 570891287 /nfs/dbraw/zinc/89/12/87/570891287.db2.gz HPJOMZBPCJHUMH-MGPUTAFESA-N 0 0 394.515 5.834 50 0 GKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cc(C)ccc1C ZINC000012616990 570891412 /nfs/dbraw/zinc/89/14/12/570891412.db2.gz CILXETGHUIVIER-UHFFFAOYSA-N 0 0 376.485 5.049 50 0 GKAARN CCC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000023042564 570893306 /nfs/dbraw/zinc/89/33/06/570893306.db2.gz VYQLAVANTNQRQC-UHFFFAOYSA-N 0 0 386.882 6.571 50 0 GKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000032900646 570894907 /nfs/dbraw/zinc/89/49/07/570894907.db2.gz VOKXJJMEMMDKES-UHFFFAOYSA-N 0 0 383.810 5.375 50 0 GKAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000023055010 570895125 /nfs/dbraw/zinc/89/51/25/570895125.db2.gz HPYYNFLEKUCLJB-UHFFFAOYSA-N 0 0 397.421 5.139 50 0 GKAARN CCn1c(SCc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000013325520 570895441 /nfs/dbraw/zinc/89/54/41/570895441.db2.gz WUYGNAXXQNGRCQ-UHFFFAOYSA-N 0 0 382.291 5.703 50 0 GKAARN CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 ZINC000013326425 570895448 /nfs/dbraw/zinc/89/54/48/570895448.db2.gz IDMFZYKIIYADKN-UHFFFAOYSA-N 0 0 397.853 5.930 50 0 GKAARN Fc1ccc(Cn2ccc(NC(=S)Nc3cc(Cl)ccc3Cl)n2)cc1 ZINC000013330894 570895481 /nfs/dbraw/zinc/89/54/81/570895481.db2.gz ROGVQTGNZGRWDY-UHFFFAOYSA-N 0 0 395.290 5.186 50 0 GKAARN C[C@H](NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000013329905 570895491 /nfs/dbraw/zinc/89/54/91/570895491.db2.gz CXMGLVPBPVPVRY-VIFPVBQESA-N 0 0 388.092 5.639 50 0 GKAARN Cc1cccc(-c2nc(-c3ccc(OCc4ccc(F)cc4F)cc3)no2)c1 ZINC000096280696 570895743 /nfs/dbraw/zinc/89/57/43/570895743.db2.gz KVIDMDFZNFMUKQ-UHFFFAOYSA-N 0 0 378.378 5.569 50 0 GKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1cccc(Cl)c1C ZINC000013331436 570895811 /nfs/dbraw/zinc/89/58/11/570895811.db2.gz UGWSHWAHYXPZLC-UHFFFAOYSA-N 0 0 382.895 5.462 50 0 GKAARN Cc1ccccc1Cn1ccc(NC(=S)Nc2cccc(Cl)c2Cl)n1 ZINC000013331058 570895856 /nfs/dbraw/zinc/89/58/56/570895856.db2.gz OVZDPQCYLGJLMN-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1cccc2ccccc21 ZINC000013330959 570895912 /nfs/dbraw/zinc/89/59/12/570895912.db2.gz IQISDKVMLXOYFZ-UHFFFAOYSA-N 0 0 392.915 5.547 50 0 GKAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)Nc1ccc(C(C)C)cc1 ZINC000013331469 570895983 /nfs/dbraw/zinc/89/59/83/570895983.db2.gz OLNOWKVHMKMSBA-UHFFFAOYSA-N 0 0 376.504 5.624 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)cc1 ZINC000013357400 570896045 /nfs/dbraw/zinc/89/60/45/570896045.db2.gz AAULRRRTMADLOP-UHFFFAOYSA-N 0 0 393.462 5.015 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000104150234 570896291 /nfs/dbraw/zinc/89/62/91/570896291.db2.gz RSAIJUQHHLPKPG-BVZFJXPGSA-N 0 0 398.462 5.850 50 0 GKAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000004561686 570896765 /nfs/dbraw/zinc/89/67/65/570896765.db2.gz WDLIEGSEDUMASU-UHFFFAOYSA-N 0 0 386.495 5.508 50 0 GKAARN C=CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000004575746 570896903 /nfs/dbraw/zinc/89/69/03/570896903.db2.gz KMLJCANKPGNTHO-LKXMIKKJSA-N 0 0 378.422 5.274 50 0 GKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)Nc1cccc(Cl)c1 ZINC000004576082 570896919 /nfs/dbraw/zinc/89/69/19/570896919.db2.gz WGKKKADDEXBXKK-UHFFFAOYSA-N 0 0 394.884 5.267 50 0 GKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004576099 570896938 /nfs/dbraw/zinc/89/69/38/570896938.db2.gz UKYLLOQGFOXWNF-UHFFFAOYSA-N 0 0 384.479 6.353 50 0 GKAARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)sc2nc(-c3ccco3)nc(C)c12 ZINC000032901325 570897181 /nfs/dbraw/zinc/89/71/81/570897181.db2.gz CHNHJBJIJRMGAO-LBPRGKRZSA-N 0 0 389.480 5.160 50 0 GKAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc3ccccc3c2)cs1 ZINC000004590313 570897276 /nfs/dbraw/zinc/89/72/76/570897276.db2.gz XEIFFCRCCCSPQR-UHFFFAOYSA-N 0 0 389.863 6.390 50 0 GKAARN Cc1c(C(=O)NCc2ccccc2Cl)sc2nc(-c3ccco3)nc(C)c12 ZINC000032900989 570897270 /nfs/dbraw/zinc/89/72/70/570897270.db2.gz LOLOXWZOVYIGQY-UHFFFAOYSA-N 0 0 397.887 5.152 50 0 GKAARN Cc1cc(C)c(NC(=O)c2cc(-c3ccco3)nc3ccccc32)c(Cl)c1 ZINC000015323875 570898479 /nfs/dbraw/zinc/89/84/79/570898479.db2.gz VERJWVDOGNJRIM-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CC(=O)c1ccc(NC(=S)N(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000013577432 570898867 /nfs/dbraw/zinc/89/88/67/570898867.db2.gz AJRQSGXUMJTBMJ-UHFFFAOYSA-N 0 0 388.536 5.331 50 0 GKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000004571519 570898948 /nfs/dbraw/zinc/89/89/48/570898948.db2.gz FEVXJGZYLKTWAK-WYRIXSBYSA-N 0 0 398.915 6.215 50 0 GKAARN COc1cc2c(cc1NC(=O)c1cnn(Cc3ccccc3)c1)oc1ccccc12 ZINC000015604476 570898953 /nfs/dbraw/zinc/89/89/53/570898953.db2.gz IVFSSCGLWINLIJ-UHFFFAOYSA-N 0 0 397.434 5.092 50 0 GKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000004571686 570899171 /nfs/dbraw/zinc/89/91/71/570899171.db2.gz YURUBKBDMSQPQG-NSPYISDASA-N 0 0 382.460 5.701 50 0 GKAARN CC(C)c1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000012622032 570899562 /nfs/dbraw/zinc/89/95/62/570899562.db2.gz QJCNMAYDYHODRS-UHFFFAOYSA-N 0 0 383.495 5.389 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012623111 570899723 /nfs/dbraw/zinc/89/97/23/570899723.db2.gz ZGGQWRHVRVKJFH-YSZBQJHXSA-N 0 0 394.511 5.514 50 0 GKAARN Cc1cc(OC(=O)CSc2cccc3cccc(Cl)c32)ccc1Cl ZINC000012622886 570899815 /nfs/dbraw/zinc/89/98/15/570899815.db2.gz GEWAMFPUYADCAK-UHFFFAOYSA-N 0 0 377.292 6.153 50 0 GKAARN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCc2sccc2C1 ZINC000032902877 570901056 /nfs/dbraw/zinc/90/10/56/570901056.db2.gz DNVXUMFDNYOFMV-UHFFFAOYSA-N 0 0 386.476 5.269 50 0 GKAARN FC(F)(F)c1cc(NC(=S)Nc2cccc(Cl)c2Cl)ccc1Cl ZINC000013736922 570901060 /nfs/dbraw/zinc/90/10/60/570901060.db2.gz QIVXRPCHGODIJF-UHFFFAOYSA-N 0 0 399.652 6.475 50 0 GKAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)c2ccccn2)ccc1Cl ZINC000015669857 570901462 /nfs/dbraw/zinc/90/14/62/570901462.db2.gz BAGPEMMJCJUCND-OAHLLOKOSA-N 0 0 386.904 5.106 50 0 GKAARN Fc1cccc(Cl)c1COn1c2ccccc2nc1-c1ccccc1Cl ZINC000004024271 570902537 /nfs/dbraw/zinc/90/25/37/570902537.db2.gz WOCKARGQFZTZFU-UHFFFAOYSA-N 0 0 387.241 5.778 50 0 GKAARN CSc1n[nH]c(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)n1 ZINC000005720600 570903377 /nfs/dbraw/zinc/90/33/77/570903377.db2.gz BQAGZUCBEOZSHJ-UHFFFAOYSA-N 0 0 398.460 5.551 50 0 GKAARN C[C@@H]1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2)S1 ZINC000005722243 570903538 /nfs/dbraw/zinc/90/35/38/570903538.db2.gz COYZVTPYDRTTPJ-GFCCVEGCSA-N 0 0 377.872 5.005 50 0 GKAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)c1 ZINC000015275938 570903914 /nfs/dbraw/zinc/90/39/14/570903914.db2.gz UVWIMIVTQNFKDS-XIQMRYHBSA-N 0 0 385.463 5.240 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000032906475 570905087 /nfs/dbraw/zinc/90/50/87/570905087.db2.gz JLBMZRQQHPHKHC-UHFFFAOYSA-N 0 0 399.541 5.417 50 0 GKAARN CC(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014379052 570905159 /nfs/dbraw/zinc/90/51/59/570905159.db2.gz LFHVMBVIRHZJNX-UHFFFAOYSA-N 0 0 375.268 5.179 50 0 GKAARN Cc1c(C(=O)N(Cc2ccco2)Cc2ccc(C)cc2)oc2cc(C)cc(C)c12 ZINC000015831079 570905939 /nfs/dbraw/zinc/90/59/39/570905939.db2.gz SZWGTXMMFIWDTK-UHFFFAOYSA-N 0 0 387.479 6.102 50 0 GKAARN Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)oc2cc(C)cc(C)c12 ZINC000015833284 570905967 /nfs/dbraw/zinc/90/59/67/570905967.db2.gz HXRKVGQVCUWHAC-HNNXBMFYSA-N 0 0 396.556 6.218 50 0 GKAARN CCCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000015832043 570906019 /nfs/dbraw/zinc/90/60/19/570906019.db2.gz HLJOTVHZSFAYTO-UHFFFAOYSA-N 0 0 392.499 5.417 50 0 GKAARN CCCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c2cccnc12 ZINC000015840969 570906381 /nfs/dbraw/zinc/90/63/81/570906381.db2.gz PGQZVBFUWALBHA-QGZVFWFLSA-N 0 0 378.472 5.046 50 0 GKAARN COc1ccccc1-c1nc2c3c(C)c(C)n(C4CCCCCC4)c3ncn2n1 ZINC000015842402 570906897 /nfs/dbraw/zinc/90/68/97/570906897.db2.gz UKCCTXNALJNZAZ-UHFFFAOYSA-N 0 0 389.503 5.267 50 0 GKAARN COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)c1 ZINC000051315607 570907122 /nfs/dbraw/zinc/90/71/22/570907122.db2.gz CVLIIZPWIGRMEO-UHFFFAOYSA-N 0 0 385.423 5.130 50 0 GKAARN Cc1ccc(OCCC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c(C)c1 ZINC000089614263 570907381 /nfs/dbraw/zinc/90/73/81/570907381.db2.gz PHENUXSCNLFOSA-LJQANCHMSA-N 0 0 394.540 5.436 50 0 GKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000015867080 570907657 /nfs/dbraw/zinc/90/76/57/570907657.db2.gz OBXOOSDVCMQKJK-MRXNPFEDSA-N 0 0 382.451 6.225 50 0 GKAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000032907567 570907978 /nfs/dbraw/zinc/90/79/78/570907978.db2.gz LTFQSAYFRONJHI-QGZVFWFLSA-N 0 0 380.513 5.016 50 0 GKAARN Cc1ccsc1-c1nnc(SCc2cnoc2-c2ccc(Cl)cc2)o1 ZINC000089702067 570909789 /nfs/dbraw/zinc/90/97/89/570909789.db2.gz KQJUOMYWBLEJSB-UHFFFAOYSA-N 0 0 389.889 5.707 50 0 GKAARN COc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1 ZINC000023126671 570910060 /nfs/dbraw/zinc/91/00/60/570910060.db2.gz NDDZTZXDYZMXMK-UHFFFAOYSA-N 0 0 382.876 5.028 50 0 GKAARN CC1=CC(C)(C)Nc2cc(/C(Cl)=C(\Cl)c3cnc(Cl)nc3)ccc21 ZINC000016809844 570911160 /nfs/dbraw/zinc/91/11/60/570911160.db2.gz PBDONFBXKWMQPD-FOCLMDBBSA-N 0 0 380.706 6.041 50 0 GKAARN O=C(CSc1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000004496748 570912379 /nfs/dbraw/zinc/91/23/79/570912379.db2.gz QBHSCABKUQPFJK-UHFFFAOYSA-N 0 0 378.428 5.365 50 0 GKAARN Cc1ccc(-c2cc3c(SCc4ccc(Cl)cc4)nccn3n2)cc1C ZINC000016842901 570913421 /nfs/dbraw/zinc/91/34/21/570913421.db2.gz DFGUNAVWYWVCLH-UHFFFAOYSA-N 0 0 379.916 5.959 50 0 GKAARN CCOc1ccc(-c2cc3c(SCc4cccc(Cl)c4)nccn3n2)cc1 ZINC000016842884 570913451 /nfs/dbraw/zinc/91/34/51/570913451.db2.gz CPPSOQULSQVVLH-UHFFFAOYSA-N 0 0 395.915 5.741 50 0 GKAARN O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(Cl)cc3F)cc2o1 ZINC000004540349 570913526 /nfs/dbraw/zinc/91/35/26/570913526.db2.gz GDJBVDYAWQDSBT-UHFFFAOYSA-N 0 0 380.802 5.832 50 0 GKAARN CCSc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 ZINC000007572856 570913878 /nfs/dbraw/zinc/91/38/78/570913878.db2.gz KPZMUQFICLBGTD-UHFFFAOYSA-N 0 0 380.947 5.889 50 0 GKAARN CCOc1ccccc1NC(=O)Cc1csc(Nc2cccc(Cl)c2)n1 ZINC000016850361 570915044 /nfs/dbraw/zinc/91/50/44/570915044.db2.gz HNXXKRXOGOWCDZ-UHFFFAOYSA-N 0 0 387.892 5.120 50 0 GKAARN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(CC)ccc4o3)ccc2C)cc1 ZINC000016161542 570915965 /nfs/dbraw/zinc/91/59/65/570915965.db2.gz YUKBDTBXCLEDEH-UHFFFAOYSA-N 0 0 384.479 6.180 50 0 GKAARN O=C(N[C@@H](c1cccs1)c1ccccc1)N[C@H]1CCSc2c(F)cccc21 ZINC000089827669 570916279 /nfs/dbraw/zinc/91/62/79/570916279.db2.gz PSMBXXTYBUTMCO-PKOBYXMFSA-N 0 0 398.528 5.513 50 0 GKAARN O=C(Nc1ccc(OC(F)F)c(F)c1)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000089827764 570916324 /nfs/dbraw/zinc/91/63/24/570916324.db2.gz ZBBWWOFWZUKOFI-QVKFZJNVSA-N 0 0 390.405 5.360 50 0 GKAARN CNC(=O)c1cccc(N[C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000152794726 570916624 /nfs/dbraw/zinc/91/66/24/570916624.db2.gz ASSQCXSUVZQHGW-NSHDSACASA-N 0 0 390.270 5.181 50 0 GKAARN CSc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1 ZINC000004585615 570918985 /nfs/dbraw/zinc/91/89/85/570918985.db2.gz IYBBRRJUFMEUOJ-UHFFFAOYSA-N 0 0 386.285 5.079 50 0 GKAARN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000089919251 570919704 /nfs/dbraw/zinc/91/97/04/570919704.db2.gz GECQAODNZAWXBY-LJQANCHMSA-N 0 0 399.922 5.052 50 0 GKAARN Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OC(=O)c1ccco1 ZINC000004586208 570920103 /nfs/dbraw/zinc/92/01/03/570920103.db2.gz LVKVFBIWRHXURC-UHFFFAOYSA-N 0 0 386.359 5.327 50 0 GKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc2ccccc2c1 ZINC000007580270 570920717 /nfs/dbraw/zinc/92/07/17/570920717.db2.gz IMWYMAHNSNYBEG-UHFFFAOYSA-N 0 0 376.481 5.135 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(Nc3cccc(Cl)c3C)n2)cc1 ZINC000005749249 570920711 /nfs/dbraw/zinc/92/07/11/570920711.db2.gz KQJBFCMFOJXGRI-UHFFFAOYSA-N 0 0 375.859 6.011 50 0 GKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cc(Cl)ccc1Cl ZINC000007580385 570920931 /nfs/dbraw/zinc/92/09/31/570920931.db2.gz BWQDCHHCKQMKLA-UHFFFAOYSA-N 0 0 395.311 5.289 50 0 GKAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1 ZINC000016292235 570921125 /nfs/dbraw/zinc/92/11/25/570921125.db2.gz RTZLFVYAVQRJBL-JOCHJYFZSA-N 0 0 391.312 6.113 50 0 GKAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000016311959 570921837 /nfs/dbraw/zinc/92/18/37/570921837.db2.gz PQVVYLXTQSFVAF-UHFFFAOYSA-N 0 0 388.492 5.841 50 0 GKAARN CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](c3ccco3)[C@H]1[C@H]2C ZINC000105365100 570922034 /nfs/dbraw/zinc/92/20/34/570922034.db2.gz FYHMPRLWKQXILI-RCBHIRHFSA-N 0 0 381.472 5.434 50 0 biogenic GKAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000005749949 570922435 /nfs/dbraw/zinc/92/24/35/570922435.db2.gz XBXNYMHJDZAOIW-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000004588305 570922866 /nfs/dbraw/zinc/92/28/66/570922866.db2.gz RVLQRHBDZCABKE-ATVHPVEESA-N 0 0 384.273 5.091 50 0 GKAARN Cc1c2cc(NC(=O)C3CCCCC3)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000016993208 570923304 /nfs/dbraw/zinc/92/33/04/570923304.db2.gz ZHULRQRIQLJWDH-UHFFFAOYSA-N 0 0 395.886 6.144 50 0 GKAARN CCCC1CCC(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)CC1 ZINC000004588514 570923340 /nfs/dbraw/zinc/92/33/40/570923340.db2.gz LNAFDMQNXPQHND-ATVHPVEESA-N 0 0 376.294 5.352 50 0 GKAARN Clc1cccc(-c2csc(SCc3cc4c(cc3Cl)OCO4)n2)c1 ZINC000016399079 570924063 /nfs/dbraw/zinc/92/40/63/570924063.db2.gz WSNLAJJGADKEMG-UHFFFAOYSA-N 0 0 396.320 6.138 50 0 GKAARN CC(C)(C)c1ccc(CSC2=Nc3cc(Cl)ccc3SCC2)cc1 ZINC000004042755 570924452 /nfs/dbraw/zinc/92/44/52/570924452.db2.gz DEBWSWBPQOGYTG-UHFFFAOYSA-N 0 0 375.990 7.097 50 0 GKAARN COc1ccc(CN(CC[C@H](c2ccco2)C(C)C)C(=O)c2ccco2)cc1 ZINC000004046455 570924946 /nfs/dbraw/zinc/92/49/46/570924946.db2.gz ZQKIDVGIXIUCTO-FQEVSTJZSA-N 0 0 381.472 5.354 50 0 biogenic GKAARN COc1ccccc1N1CCc2c1c1cccc(Oc3ccccc3)c1nc2C ZINC000004053876 570925844 /nfs/dbraw/zinc/92/58/44/570925844.db2.gz IEEMLTMWPFKDFL-UHFFFAOYSA-N 0 0 382.463 6.038 50 0 GKAARN Cc1ccc(Cn2cc(SCC(=O)Nc3ccccc3)c3ccccc32)cc1 ZINC000004059716 570926634 /nfs/dbraw/zinc/92/66/34/570926634.db2.gz NCDLIQRCXYNZLN-UHFFFAOYSA-N 0 0 386.520 5.729 50 0 GKAARN Cc1cccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000004059639 570926781 /nfs/dbraw/zinc/92/67/81/570926781.db2.gz XJVJENJBOCEWGY-UHFFFAOYSA-N 0 0 386.520 5.729 50 0 GKAARN Cc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000017079709 570927045 /nfs/dbraw/zinc/92/70/45/570927045.db2.gz ZFFBRVBBXGVTFS-UHFFFAOYSA-N 0 0 390.508 5.287 50 0 GKAARN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000031953607 570927270 /nfs/dbraw/zinc/92/72/70/570927270.db2.gz HECLJALSRAQDQE-SNVBAGLBSA-N 0 0 377.284 5.095 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc5c(c4)CCCC5)cc3)sc2c1 ZINC000017122225 570928187 /nfs/dbraw/zinc/92/81/87/570928187.db2.gz WHQGEQHLTRQWQA-UHFFFAOYSA-N 0 0 398.531 6.403 50 0 GKAARN Cc1ccc(/C=C2\CCCc3c2nn(-c2ccccc2)c3-c2ccc(C)cc2)cc1 ZINC000051330351 570928313 /nfs/dbraw/zinc/92/83/13/570928313.db2.gz STDUDFRVZWHJRU-LYBHJNIJSA-N 0 0 390.530 7.033 50 0 GKAARN Cc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000051330357 570928345 /nfs/dbraw/zinc/92/83/45/570928345.db2.gz LKLUMFVPFBRWSF-HVHZMOBUSA-N 0 0 392.546 7.104 50 0 GKAARN CCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 ZINC000004070266 570928646 /nfs/dbraw/zinc/92/86/46/570928646.db2.gz BKLYPFTWAHWSKF-UHFFFAOYSA-N 0 0 378.906 5.566 50 0 GKAARN Cc1ccc([C@H]2CCCCCN2C(=O)NCc2cc(-c3ccccc3)on2)o1 ZINC000170634768 570928976 /nfs/dbraw/zinc/92/89/76/570928976.db2.gz JJNWIHPMPRWPQT-LJQANCHMSA-N 0 0 379.460 5.070 50 0 GKAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)s2)cc1 ZINC000004072311 570929396 /nfs/dbraw/zinc/92/93/96/570929396.db2.gz ZYNUKHTYYRUAJI-UHFFFAOYSA-N 0 0 385.492 5.357 50 0 GKAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc(F)c1 ZINC000004072668 570929857 /nfs/dbraw/zinc/92/98/57/570929857.db2.gz VKAVGHHGFAOJBL-UHFFFAOYSA-N 0 0 383.267 5.026 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(Cl)ccc1Cl ZINC000004072585 570929871 /nfs/dbraw/zinc/92/98/71/570929871.db2.gz UJNPZHHASOIJIC-UHFFFAOYSA-N 0 0 389.716 6.084 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1OC ZINC000000849020 570929971 /nfs/dbraw/zinc/92/99/71/570929971.db2.gz RFPYEELXWQICQN-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN CCOc1cc2oc(C)c(Oc3cnn(-c4ccccc4)c3)c(=O)c2cc1CC ZINC000000632981 570930013 /nfs/dbraw/zinc/93/00/13/570930013.db2.gz VJNWYGVQECNDPY-UHFFFAOYSA-N 0 0 390.439 5.041 50 0 GKAARN COc1ccc(Br)cc1[C@H]1CC(=O)Nc2ccc3ccccc3c21 ZINC000000924083 570930018 /nfs/dbraw/zinc/93/00/18/570930018.db2.gz YLUYKXUYBZRDRJ-MRXNPFEDSA-N 0 0 382.257 5.085 50 0 GKAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OC(C)C ZINC000051331132 570930089 /nfs/dbraw/zinc/93/00/89/570930089.db2.gz GOWBDDRTCHXEGB-QHCPKHFHSA-N 0 0 388.467 5.254 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccs1 ZINC000001049591 570930517 /nfs/dbraw/zinc/93/05/17/570930517.db2.gz YUYPXLHBBNBXTF-UHFFFAOYSA-N 0 0 381.840 5.427 50 0 GKAARN C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCCC2)S1 ZINC000001063623 570930905 /nfs/dbraw/zinc/93/09/05/570930905.db2.gz WEHOXLDTFKLIBW-LLVKDONJSA-N 0 0 386.348 5.651 50 0 GKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Cl)s1 ZINC000004079260 570930774 /nfs/dbraw/zinc/93/07/74/570930774.db2.gz YOQWPZFJJHYSTA-UHFFFAOYSA-N 0 0 391.901 5.559 50 0 GKAARN COc1ccc([C@@H](C)NC(=O)c2csc(C)c2-c2ccccc2)cc1OC ZINC000001056593 570930914 /nfs/dbraw/zinc/93/09/14/570930914.db2.gz HNJBDGJEENQNDL-CQSZACIVSA-N 0 0 381.497 5.232 50 0 GKAARN CCOc1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000016691759 570931193 /nfs/dbraw/zinc/93/11/93/570931193.db2.gz UFODDOOYVWFHEL-UHFFFAOYSA-N 0 0 377.509 5.938 50 0 GKAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000105651338 570931596 /nfs/dbraw/zinc/93/15/96/570931596.db2.gz FAXLAECASLEYIG-WZONZLPQSA-N 0 0 394.540 5.005 50 0 GKAARN CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3)c2)cc1 ZINC000001122350 570931641 /nfs/dbraw/zinc/93/16/41/570931641.db2.gz DAKBWUZZBDCUSH-UHFFFAOYSA-N 0 0 388.467 5.112 50 0 GKAARN COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1C)C2=O ZINC000001120604 570931779 /nfs/dbraw/zinc/93/17/79/570931779.db2.gz IFCZQRBZFCWCGR-UHFFFAOYSA-N 0 0 393.826 5.250 50 0 GKAARN c1ccc2nc(C3=CNc4ccccc4[C@@H]3c3cccc4ccccc43)ccc2c1 ZINC000002072716 570932327 /nfs/dbraw/zinc/93/23/27/570932327.db2.gz GGCDTWWXECUCFR-NDEPHWFRSA-N 0 0 384.482 6.987 50 0 GKAARN Cc1cccc(OCCCOc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000001791545 570932755 /nfs/dbraw/zinc/93/27/55/570932755.db2.gz IPWWAOHPTMXATP-UHFFFAOYSA-N 0 0 379.431 5.234 50 0 GKAARN O=C(OCc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000001868066 570932758 /nfs/dbraw/zinc/93/27/58/570932758.db2.gz ZDHMEGOUTGQMRT-UHFFFAOYSA-N 0 0 381.269 5.324 50 0 GKAARN COc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000002197911 570932768 /nfs/dbraw/zinc/93/27/68/570932768.db2.gz YANJEGNBLQADSU-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN Cc1cccc(Oc2nc3cc(Cl)c(Cl)cc3nc2C(F)(F)F)c1C ZINC000004092247 570934419 /nfs/dbraw/zinc/93/44/19/570934419.db2.gz TWZSXJPEMKQZQL-UHFFFAOYSA-N 0 0 387.188 6.365 50 0 GKAARN COc1cccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)c1 ZINC000001236016 570935164 /nfs/dbraw/zinc/93/51/64/570935164.db2.gz UABJRCUJCCIBRR-MQSCRBSSSA-N 0 0 383.919 5.450 50 0 GKAARN COC(=O)c1c(NCc2ccc(Cl)cc2)onc1-c1cccc(Cl)c1 ZINC000046914600 570936929 /nfs/dbraw/zinc/93/69/29/570936929.db2.gz ISSAAHGWBZIVTI-UHFFFAOYSA-N 0 0 377.227 5.047 50 0 GKAARN Clc1ccc(OCc2nc3ccccc3n2CCc2ccccc2)c(Cl)c1 ZINC000002087845 570937696 /nfs/dbraw/zinc/93/76/96/570937696.db2.gz BGOBUFVHLWZUHC-UHFFFAOYSA-N 0 0 397.305 6.165 50 0 GKAARN Cc1ccc(Nc2nc(NCCC(C)C)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042469 570938117 /nfs/dbraw/zinc/93/81/17/570938117.db2.gz KIKGBJPOBWIWTN-UHFFFAOYSA-N 0 0 386.503 5.326 50 0 GKAARN CCN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1ccccc1 ZINC000032926148 570938610 /nfs/dbraw/zinc/93/86/10/570938610.db2.gz RMMNCKXJIIQQIC-UHFFFAOYSA-N 0 0 397.272 5.303 50 0 GKAARN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000047022445 570938580 /nfs/dbraw/zinc/93/85/80/570938580.db2.gz RKXOLNKERSVUBN-UHFFFAOYSA-N 0 0 398.915 5.331 50 0 GKAARN S=C(Nc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000017076900 570938903 /nfs/dbraw/zinc/93/89/03/570938903.db2.gz SXNRUYUVHQZRAC-UHFFFAOYSA-N 0 0 376.106 5.565 50 0 GKAARN COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2ccccc2C)n1 ZINC000017078508 570939993 /nfs/dbraw/zinc/93/99/93/570939993.db2.gz OMOBSICDLHMQHF-UHFFFAOYSA-N 0 0 384.479 5.591 50 0 GKAARN COc1ccc([C@H](CCN(Cc2ccco2)C(=O)c2ccco2)C(C)C)cc1 ZINC000002091320 570940109 /nfs/dbraw/zinc/94/01/09/570940109.db2.gz BREQNYGUYZKAHZ-OAQYLSRUSA-N 0 0 381.472 5.354 50 0 biogenic GKAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000017079379 570940352 /nfs/dbraw/zinc/94/03/52/570940352.db2.gz YDWRILHQRGVLMC-OKILXGFUSA-N 0 0 388.558 5.161 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000017079827 570940487 /nfs/dbraw/zinc/94/04/87/570940487.db2.gz HTBLPVFGUZQWLD-UHFFFAOYSA-N 0 0 390.889 6.675 50 0 GKAARN CCc1ccccc1NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002092159 570940548 /nfs/dbraw/zinc/94/05/48/570940548.db2.gz KKNASGZWUPNMEZ-UHFFFAOYSA-N 0 0 399.446 5.040 50 0 biogenic GKAARN O=C(c1cc2c(s1)n(-c1ccccc1)nc2C(F)(F)F)N1CCCCCC1 ZINC000017080355 570940775 /nfs/dbraw/zinc/94/07/75/570940775.db2.gz DHNKJWAHSASYOC-UHFFFAOYSA-N 0 0 393.434 5.122 50 0 GKAARN CCc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002093706 570940913 /nfs/dbraw/zinc/94/09/13/570940913.db2.gz XRNLZWJKWXGVAX-UHFFFAOYSA-N 0 0 399.446 5.040 50 0 biogenic GKAARN CC(C)[C@H](CCN(C[C@H]1CCOC(C)(C)C1)C(=O)c1ccco1)c1ccco1 ZINC000002094195 570941006 /nfs/dbraw/zinc/94/10/06/570941006.db2.gz HRBJKSOWVORBJP-OALUTQOASA-N 0 0 387.520 5.350 50 0 biogenic GKAARN O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)Nc1ccc(F)cc1 ZINC000017080878 570941340 /nfs/dbraw/zinc/94/13/40/570941340.db2.gz OZEXIIUVEAFOSX-UHFFFAOYSA-N 0 0 395.503 6.641 50 0 GKAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2Nc1cccc2c1CCCC2 ZINC000017121612 570941833 /nfs/dbraw/zinc/94/18/33/570941833.db2.gz JVEIXBGPXWNESE-UHFFFAOYSA-N 0 0 389.890 5.400 50 0 GKAARN Cc1ccccc1Nc1nc(NCc2ccco2)nc2c1cnn2-c1ccccc1 ZINC000017136034 570942285 /nfs/dbraw/zinc/94/22/85/570942285.db2.gz OSTYPYXATQGWQL-UHFFFAOYSA-N 0 0 396.454 5.073 50 0 GKAARN O=c1nc(SCc2ccccc2)[nH]c2sc3c(c21)CCc1ccccc1-3 ZINC000017180399 570942753 /nfs/dbraw/zinc/94/27/53/570942753.db2.gz KPVKCWLSZGXWMJ-UHFFFAOYSA-N 0 0 376.506 5.043 50 0 GKAARN Cc1c(C(=O)Nc2ccc(Br)cc2F)cccc1-c1ccccn1 ZINC000165353510 570942869 /nfs/dbraw/zinc/94/28/69/570942869.db2.gz FIUMHFRPRVXBGK-UHFFFAOYSA-N 0 0 385.236 5.211 50 0 GKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2C)cc1 ZINC000017197619 570943216 /nfs/dbraw/zinc/94/32/16/570943216.db2.gz SONXHNLMJBLYGP-RFBIWTDZSA-N 0 0 398.462 5.543 50 0 GKAARN COc1ccc(NC2=NC(=S)N(c3ccc(C)cc3)C23CCCCC3)cc1 ZINC000017241836 570944050 /nfs/dbraw/zinc/94/40/50/570944050.db2.gz HSWXBFIWLSYHGZ-UHFFFAOYSA-N 0 0 379.529 5.322 50 0 GKAARN CC(C)c1ccc(C=Cc2cc(C=Cc3ccc(C(C)C)cc3)[nH]c(=O)n2)cc1 ZINC000017281637 570944562 /nfs/dbraw/zinc/94/45/62/570944562.db2.gz ALSAWSSYDJCMEI-KAVGSWPWSA-N 0 0 384.523 6.358 50 0 GKAARN CC(C)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 ZINC000005009930 570945590 /nfs/dbraw/zinc/94/55/90/570945590.db2.gz NEWGYFGUBVRGPX-KRWDZBQOSA-N 0 0 395.572 5.176 50 0 GKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(C)c(F)c2)ccc1Cl ZINC000032932208 570946811 /nfs/dbraw/zinc/94/68/11/570946811.db2.gz XPHANJPKZNSZKR-UHFFFAOYSA-N 0 0 394.837 5.082 50 0 GKAARN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000032932175 570946857 /nfs/dbraw/zinc/94/68/57/570946857.db2.gz OCHRZTNCBKDLDJ-AWEZNQCLSA-N 0 0 395.503 5.112 50 0 GKAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000032934835 570947230 /nfs/dbraw/zinc/94/72/30/570947230.db2.gz FLLZYHKMIWHXLG-NRFANRHFSA-N 0 0 391.902 5.593 50 0 GKAARN COC(=O)[C@@H]1CCCCc2c1nc1sc3c(c1c2-c1ccccc1)CCCC3 ZINC000012652179 570947273 /nfs/dbraw/zinc/94/72/73/570947273.db2.gz OHNFJDUKLINLON-GOSISDBHSA-N 0 0 391.536 5.825 50 0 GKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccccc1 ZINC000002302636 570947259 /nfs/dbraw/zinc/94/72/59/570947259.db2.gz LTLMFAHBUUUVFW-UHFFFAOYSA-N 0 0 381.431 5.250 50 0 GKAARN O=C(OCc1nc2ccccc2s1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000012656185 570947329 /nfs/dbraw/zinc/94/73/29/570947329.db2.gz QBEXIGMSADUQQX-UHFFFAOYSA-N 0 0 397.459 5.264 50 0 GKAARN CCCCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000001807769 570947443 /nfs/dbraw/zinc/94/74/43/570947443.db2.gz LFCVXVRQMCBPDT-UHFFFAOYSA-N 0 0 389.879 5.095 50 0 GKAARN COC(=O)[C@H]1CCCCc2c1nc1sc3c(c1c2-c1ccccc1)CCCC3 ZINC000012652183 570947533 /nfs/dbraw/zinc/94/75/33/570947533.db2.gz OHNFJDUKLINLON-SFHVURJKSA-N 0 0 391.536 5.825 50 0 GKAARN C[C@@H](O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC000004733190 570947683 /nfs/dbraw/zinc/94/76/83/570947683.db2.gz PWDOJJMQORVXJC-GFCCVEGCSA-N 0 0 376.294 5.052 50 0 GKAARN Cc1ccccc1Nc1c(-c2cccc(Br)c2)nc2ccccn21 ZINC000004733722 570948057 /nfs/dbraw/zinc/94/80/57/570948057.db2.gz XAVUASMEWJSUKR-UHFFFAOYSA-N 0 0 378.273 5.816 50 0 GKAARN Cc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccccc2C)cc1 ZINC000004733845 570948081 /nfs/dbraw/zinc/94/80/81/570948081.db2.gz JYUPCMSXLFWHGH-UHFFFAOYSA-N 0 0 392.300 6.124 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(Br)c1)c2Nc1ccccc1C ZINC000004733749 570948179 /nfs/dbraw/zinc/94/81/79/570948179.db2.gz BBHVHIJXJQHWLQ-UHFFFAOYSA-N 0 0 392.300 6.124 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733882 570948216 /nfs/dbraw/zinc/94/82/16/570948216.db2.gz GLTQNNYRACNXNZ-UHFFFAOYSA-N 0 0 397.887 5.539 50 0 GKAARN Cc1ccccc1Nc1c(-c2cccc(Br)c2)nc2cccc(C)n21 ZINC000004733791 570948245 /nfs/dbraw/zinc/94/82/45/570948245.db2.gz MHAGMSDVHXVRDE-UHFFFAOYSA-N 0 0 392.300 6.124 50 0 GKAARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 ZINC000004733962 570948525 /nfs/dbraw/zinc/94/85/25/570948525.db2.gz OTGBIBPKUKSONR-UHFFFAOYSA-N 0 0 394.462 5.605 50 0 GKAARN Oc1ccc2ccccc2c1-c1nc2ncccn2c1Nc1ccc(Cl)cc1 ZINC000004734016 570948580 /nfs/dbraw/zinc/94/85/80/570948580.db2.gz BDDOZQUKCFITKL-UHFFFAOYSA-N 0 0 386.842 5.652 50 0 GKAARN CSc1ccc(-c2nc3nc(C)cc(C)n3c2Nc2c(C)cccc2C)cc1 ZINC000004734325 570948735 /nfs/dbraw/zinc/94/87/35/570948735.db2.gz KYYVAWKNDLZQTP-UHFFFAOYSA-N 0 0 388.540 6.095 50 0 GKAARN Cc1ccc(Nc2c(-c3cccc(Br)c3)nc3cccc(C)n32)cc1 ZINC000004735083 570949016 /nfs/dbraw/zinc/94/90/16/570949016.db2.gz QRNPIKRBBFOPCH-UHFFFAOYSA-N 0 0 392.300 6.124 50 0 GKAARN Cc1ccc(Nc2c(-c3cccc(Br)c3)nc3ccc(C)cn32)cc1 ZINC000004735102 570949019 /nfs/dbraw/zinc/94/90/19/570949019.db2.gz IBBADIIJMMSOPB-UHFFFAOYSA-N 0 0 392.300 6.124 50 0 GKAARN Cc1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl ZINC000004734946 570949024 /nfs/dbraw/zinc/94/90/24/570949024.db2.gz MAXYQFBUJLCUKL-UHFFFAOYSA-N 0 0 375.877 5.074 50 0 GKAARN CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735092 570949032 /nfs/dbraw/zinc/94/90/32/570949032.db2.gz FWTUQAGWOJKPQG-UHFFFAOYSA-N 0 0 389.480 5.504 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1C(=O)c1cccs1 ZINC000012689852 570949205 /nfs/dbraw/zinc/94/92/05/570949205.db2.gz QQSATODMGUIAIB-UHFFFAOYSA-N 0 0 390.508 5.222 50 0 GKAARN CC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004532968 570949768 /nfs/dbraw/zinc/94/97/68/570949768.db2.gz RKTOVXAWWQDSMX-NUCYLRBOSA-N 0 0 388.636 7.157 50 0 GKAARN O=[S@@](c1ccccc1)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000004533191 570949774 /nfs/dbraw/zinc/94/97/74/570949774.db2.gz PWHSAHSCUGZTCX-XTEPFMGCSA-N 0 0 382.528 6.368 50 0 GKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)CCCC3 ZINC000004735764 570950298 /nfs/dbraw/zinc/95/02/98/570950298.db2.gz FNOUXJPKVHRXTH-UHFFFAOYSA-N 0 0 397.540 5.718 50 0 GKAARN COc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1OC ZINC000007593684 570950334 /nfs/dbraw/zinc/95/03/34/570950334.db2.gz PUNHEKSRJUUSHE-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)sc2c1 ZINC000004105128 570950883 /nfs/dbraw/zinc/95/08/83/570950883.db2.gz ZDGBGDHTFRAWIB-UHFFFAOYSA-N 0 0 392.455 5.428 50 0 GKAARN CCn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cn1 ZINC000020602999 570951434 /nfs/dbraw/zinc/95/14/34/570951434.db2.gz JZWXIVNELYNBHI-UHFFFAOYSA-N 0 0 397.404 5.258 50 0 GKAARN Cc1nn2c(ncc3c2C[C@H](c2ccccc2C)CC3=O)c1-c1ccc(F)cc1 ZINC000004736634 570951591 /nfs/dbraw/zinc/95/15/91/570951591.db2.gz TVAUMHZMPRWMER-KRWDZBQOSA-N 0 0 385.442 5.065 50 0 GKAARN Cn1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c2ccccc21 ZINC000004107141 570951740 /nfs/dbraw/zinc/95/17/40/570951740.db2.gz WHXNQHWKACLIJK-RNODOKPDSA-N 0 0 393.556 5.245 50 0 GKAARN Cc1cc(NC(=O)c2cccs2)cc(-c2nc3cc(Cl)ccc3o2)c1O ZINC000004736802 570952249 /nfs/dbraw/zinc/95/22/49/570952249.db2.gz WGPONKJPCPLWSY-UHFFFAOYSA-N 0 0 384.844 5.476 50 0 GKAARN O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000002967193 570952817 /nfs/dbraw/zinc/95/28/17/570952817.db2.gz MXQWJVFMKWQEPV-UHFFFAOYSA-N 0 0 384.353 5.412 50 0 GKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cccc(C)c3)cc21 ZINC000033278500 570952822 /nfs/dbraw/zinc/95/28/22/570952822.db2.gz YOTUBZOMZMYLFF-UHFFFAOYSA-N 0 0 397.478 6.171 50 0 GKAARN COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)NC3CCCCC3)cc21 ZINC000033278494 570952825 /nfs/dbraw/zinc/95/28/25/570952825.db2.gz MBRLDOGJIPASMG-UHFFFAOYSA-N 0 0 389.499 5.673 50 0 GKAARN Cc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)c(C)c1 ZINC000002117497 570952921 /nfs/dbraw/zinc/95/29/21/570952921.db2.gz JZICHMQCZABGKU-UHFFFAOYSA-N 0 0 397.474 5.742 50 0 biogenic GKAARN Cc1ccc(C(=O)CC(c2ccccc2)=C2CCCc3ccccc3C2=O)cc1 ZINC000000978386 570953164 /nfs/dbraw/zinc/95/31/64/570953164.db2.gz VQAGNRFQGJXVHC-IZHYLOQSSA-N 0 0 380.487 6.241 50 0 GKAARN Cc1cccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c1C ZINC000002118770 570953292 /nfs/dbraw/zinc/95/32/92/570953292.db2.gz DJWGADRCEJXCMS-UHFFFAOYSA-N 0 0 383.447 5.433 50 0 biogenic GKAARN Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 ZINC000004739338 570953326 /nfs/dbraw/zinc/95/33/26/570953326.db2.gz HDJWWEHNAXITEK-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN CCCCCCc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O ZINC000002119213 570953905 /nfs/dbraw/zinc/95/39/05/570953905.db2.gz GUMKFPOGKJIJET-UHFFFAOYSA-N 0 0 392.470 7.085 50 0 biogenic GKAARN CCCCCCc1c(C)c2ccc(OCc3ccc(OC)cc3)cc2oc1=O ZINC000002119426 570953919 /nfs/dbraw/zinc/95/39/19/570953919.db2.gz MYUVIJOCHIMTAW-UHFFFAOYSA-N 0 0 380.484 5.812 50 0 biogenic GKAARN Cc1[nH]c2c(sc(C)c2C(=O)Nc2ccc(Br)cc2F)c1C ZINC000033280475 570954220 /nfs/dbraw/zinc/95/42/20/570954220.db2.gz KKWIWYJZLNFRBA-UHFFFAOYSA-N 0 0 381.270 5.309 50 0 GKAARN COc1ccc(NC(=O)c2c(C)sc3c4c([nH]c32)CCCCC4)cc1OC ZINC000033280507 570954380 /nfs/dbraw/zinc/95/43/80/570954380.db2.gz SDTCZANBUJVSDG-UHFFFAOYSA-N 0 0 384.501 5.076 50 0 GKAARN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CCCC1 ZINC000003179895 570955007 /nfs/dbraw/zinc/95/50/07/570955007.db2.gz YKHJZDNZNXDPQL-IKBKFCNISA-N 0 0 392.266 6.835 50 0 GKAARN Cc1cc(C)c(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)c(C)c1 ZINC000002120568 570955928 /nfs/dbraw/zinc/95/59/28/570955928.db2.gz AEHSHZSJZHBZDP-UHFFFAOYSA-N 0 0 389.495 5.262 50 0 biogenic GKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2cc3c(cc21)OCO3 ZINC000002120567 570955952 /nfs/dbraw/zinc/95/59/52/570955952.db2.gz XPOWCXOKBSXETI-UHFFFAOYSA-N 0 0 399.196 5.006 50 0 biogenic GKAARN c1ccc(CC2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000001295819 570955970 /nfs/dbraw/zinc/95/59/70/570955970.db2.gz KTDQOPQEUXVZTP-UHFFFAOYSA-N 0 0 380.495 5.151 50 0 GKAARN NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3)s2)c1 ZINC000110928341 570956340 /nfs/dbraw/zinc/95/63/40/570956340.db2.gz DYSIDYIOJSPYRZ-UHFFFAOYSA-N 0 0 391.279 5.073 50 0 GKAARN Cc1cc(C)c(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c(C)c1 ZINC000002122902 570956393 /nfs/dbraw/zinc/95/63/93/570956393.db2.gz OAQDPZXRIOJLEY-UHFFFAOYSA-N 0 0 397.474 5.742 50 0 biogenic GKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc([C@H](C)CC)cc1)CO3 ZINC000002121846 570956430 /nfs/dbraw/zinc/95/64/30/570956430.db2.gz MNRWXBMAKUOPIJ-OAHLLOKOSA-N 0 0 377.484 5.534 50 0 biogenic GKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccccc1F)CO2 ZINC000002122648 570956436 /nfs/dbraw/zinc/95/64/36/570956436.db2.gz DHAYGZYIUZOJDP-UHFFFAOYSA-N 0 0 387.410 5.264 50 0 biogenic GKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2cc(C)ccc2F)c1 ZINC000033289075 570956414 /nfs/dbraw/zinc/95/64/14/570956414.db2.gz ZHLUHXWLLXQELK-UHFFFAOYSA-N 0 0 399.516 5.115 50 0 GKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2cc(F)ccc2C)c1 ZINC000033289034 570956434 /nfs/dbraw/zinc/95/64/34/570956434.db2.gz ASYFXOHHTXMUQX-UHFFFAOYSA-N 0 0 399.516 5.115 50 0 GKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2ccc(C)cc2F)c1 ZINC000033289074 570956462 /nfs/dbraw/zinc/95/64/62/570956462.db2.gz KCZGSYOLJPYZKU-UHFFFAOYSA-N 0 0 399.516 5.115 50 0 GKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2cccc(F)c2C)c1 ZINC000033289073 570956468 /nfs/dbraw/zinc/95/64/68/570956468.db2.gz LBKUPBQCKCJCTR-UHFFFAOYSA-N 0 0 399.516 5.115 50 0 GKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccc(F)cc1Cl ZINC000033282172 570957292 /nfs/dbraw/zinc/95/72/92/570957292.db2.gz WUNSYFFLIRQXQQ-UHFFFAOYSA-N 0 0 399.874 6.192 50 0 GKAARN CC(=O)N(CC[C@H](c1ccco1)c1ccccc1)Cc1ccc(OC(C)C)cc1 ZINC000002126632 570958000 /nfs/dbraw/zinc/95/80/00/570958000.db2.gz HGLHSNKQTBUZJE-DEOSSOPVSA-N 0 0 391.511 5.638 50 0 biogenic GKAARN CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000001321835 570958212 /nfs/dbraw/zinc/95/82/12/570958212.db2.gz UZNXTLRSJCKVOK-VWLOTQADSA-N 0 0 391.511 5.638 50 0 biogenic GKAARN O=C(CCCc1nc2ccccc2s1)NCC1(c2ccccc2)CCCC1 ZINC000012101294 570958623 /nfs/dbraw/zinc/95/86/23/570958623.db2.gz YNVNQJZJRNKWRT-UHFFFAOYSA-N 0 0 378.541 5.247 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CC[C@@H](C)C2 ZINC000012080517 570958628 /nfs/dbraw/zinc/95/86/28/570958628.db2.gz SOAUAEBIWWBAFS-GFCCVEGCSA-N 0 0 397.496 5.357 50 0 GKAARN Oc1cccc2ccc(/C=C\c3cc(Cl)cc(Br)c3O)nc12 ZINC000083330321 570958882 /nfs/dbraw/zinc/95/88/82/570958882.db2.gz OKDVLXSBFXKCBA-ALCCZGGFSA-N 0 0 376.637 5.232 50 0 GKAARN Cc1ccc(/C=C\C(=O)Nc2ccc(C)cc2NC(=O)/C=C\c2ccc(C)o2)o1 ZINC000033291089 570959139 /nfs/dbraw/zinc/95/91/39/570959139.db2.gz QZIPVHNBWTZIIH-QKFASICWSA-N 0 0 390.439 5.102 50 0 GKAARN Cc1nc([C@H](C)N(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)c(C)s1 ZINC000012111919 570959106 /nfs/dbraw/zinc/95/91/06/570959106.db2.gz BFUYIHJBFUQXJJ-ZDUSSCGKSA-N 0 0 397.544 5.782 50 0 GKAARN Cc1cc(C)c(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)OCc2ccccc2)c(C)c1 ZINC000106303443 570959815 /nfs/dbraw/zinc/95/98/15/570959815.db2.gz SNGUJHXDBACNEW-ILBGXUMGSA-N 0 0 399.490 5.447 50 0 GKAARN CC[C@](C)(CCN(C(=O)c1cccs1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000032103445 570960280 /nfs/dbraw/zinc/96/02/80/570960280.db2.gz GBFUAMRLWJIFHT-HYBUGGRVSA-N 0 0 399.600 5.906 50 0 GKAARN O=c1oc2cc(OCc3c(Cl)cccc3Cl)ccc2c2c1CCCC2 ZINC000004746095 570960323 /nfs/dbraw/zinc/96/03/23/570960323.db2.gz HHZHDRCNEDFIPD-UHFFFAOYSA-N 0 0 375.251 5.558 50 0 GKAARN O=P1(Nc2cc(C(F)(F)F)ccc2Cl)COc2ccccc2OC1 ZINC000004745449 570960369 /nfs/dbraw/zinc/96/03/69/570960369.db2.gz XRDAOWZCKADTJT-UHFFFAOYSA-N 0 0 377.686 5.435 50 0 GKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2cccnc2)nc2ccccc21 ZINC000032103823 570960384 /nfs/dbraw/zinc/96/03/84/570960384.db2.gz BCHHNTZCQCWSQL-UHFFFAOYSA-N 0 0 394.261 5.856 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2C)sc2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 ZINC000032104322 570960808 /nfs/dbraw/zinc/96/08/08/570960808.db2.gz WTQJYKSPGYPVKT-MRXNPFEDSA-N 0 0 392.480 5.446 50 0 GKAARN CSc1nc2ccc3nc(NC(=O)c4cccc(Cl)c4)sc3c2s1 ZINC000004134748 570961650 /nfs/dbraw/zinc/96/16/50/570961650.db2.gz RRDSNQIFTVVUKK-UHFFFAOYSA-N 0 0 391.930 5.534 50 0 GKAARN Cc1ccc(NC(=O)/C=C\c2ccccc2)cc1NC(=O)/C=C\c1ccccc1 ZINC000033294169 570961770 /nfs/dbraw/zinc/96/17/70/570961770.db2.gz OBQLDHYFNOZTFB-YKVSKMSXSA-N 0 0 382.463 5.299 50 0 GKAARN Brc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1 ZINC000033298140 570962142 /nfs/dbraw/zinc/96/21/42/570962142.db2.gz KYTFTJYDSXNJPA-UHFFFAOYSA-N 0 0 398.285 5.213 50 0 GKAARN CCOc1ccc(-c2noc(Cc3nc(-c4ccccc4Cl)cs3)n2)cc1 ZINC000033298211 570962499 /nfs/dbraw/zinc/96/24/99/570962499.db2.gz ODDOWLZKJZRVDK-UHFFFAOYSA-N 0 0 397.887 5.503 50 0 GKAARN CCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000002135848 570962649 /nfs/dbraw/zinc/96/26/49/570962649.db2.gz WBAAOOQJJRSKLO-ZOBSEURRSA-N 0 0 376.500 5.261 50 0 biogenic GKAARN Cc1nsc(C)c1C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000559851337 570962854 /nfs/dbraw/zinc/96/28/54/570962854.db2.gz DZLGNTFNIPPECY-UHFFFAOYSA-N 0 0 375.453 5.353 50 0 GKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1 ZINC000033292553 570963023 /nfs/dbraw/zinc/96/30/23/570963023.db2.gz ZNCJSMCHLXQPQR-UHFFFAOYSA-N 0 0 389.377 5.267 50 0 GKAARN COc1ccc(CC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 ZINC000007596252 570963089 /nfs/dbraw/zinc/96/30/89/570963089.db2.gz MQDNNBKAGJICGP-UHFFFAOYSA-N 0 0 388.492 5.077 50 0 GKAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1C(F)(F)F ZINC000012694825 570963323 /nfs/dbraw/zinc/96/33/23/570963323.db2.gz HSYZRIAYVVAENU-UHFFFAOYSA-N 0 0 387.386 5.334 50 0 GKAARN CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000032124006 570963369 /nfs/dbraw/zinc/96/33/69/570963369.db2.gz XXRZDOMTMCEMDR-GGAORHGYSA-N 0 0 389.580 5.410 50 0 biogenic GKAARN O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001095011 570963427 /nfs/dbraw/zinc/96/34/27/570963427.db2.gz UMOOFVAHBMVVME-UHFFFAOYSA-N 0 0 384.401 5.940 50 0 GKAARN Cc1ccc(Nc2ncc(C(=O)N3CCC(C)CC3)c3ccccc32)cc1Cl ZINC000004563497 570963724 /nfs/dbraw/zinc/96/37/24/570963724.db2.gz WPGURZUFQPLEFA-UHFFFAOYSA-N 0 0 393.918 5.812 50 0 GKAARN Cc1cccc(-n2c(SCc3ccc(F)c(F)c3)nnc2-c2ccco2)c1 ZINC000004145462 570963941 /nfs/dbraw/zinc/96/39/41/570963941.db2.gz RVACIOZVDLXQPO-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000043765664 570964246 /nfs/dbraw/zinc/96/42/46/570964246.db2.gz WLGSGSMUILIHEU-UHFFFAOYSA-N 0 0 396.244 5.146 50 0 GKAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cc(C)ccc2C)cc1 ZINC000004145373 570964376 /nfs/dbraw/zinc/96/43/76/570964376.db2.gz JKZUSRRHIYHPJA-UHFFFAOYSA-N 0 0 399.563 6.076 50 0 GKAARN Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000004144581 570964389 /nfs/dbraw/zinc/96/43/89/570964389.db2.gz PEVAXGHMEIQBFQ-UHFFFAOYSA-N 0 0 385.536 5.767 50 0 GKAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2C)cc1 ZINC000004145403 570964463 /nfs/dbraw/zinc/96/44/63/570964463.db2.gz SKAODQFBNUSVES-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)cc1C ZINC000033299723 570964533 /nfs/dbraw/zinc/96/45/33/570964533.db2.gz MTCUCRSCCGIMER-IEBWSBKVSA-N 0 0 393.556 5.007 50 0 GKAARN COc1cc(C)ccc1Oc1cc(N2CCC(Cc3ccccc3)CC2)ncn1 ZINC000037376970 570964772 /nfs/dbraw/zinc/96/47/72/570964772.db2.gz JLMPUIDBDDOQOZ-UHFFFAOYSA-N 0 0 389.499 5.045 50 0 GKAARN Fc1ccc(Oc2cc(N3CCC(Cc4ccccc4)CC3)ncn2)cc1F ZINC000037377206 570964785 /nfs/dbraw/zinc/96/47/85/570964785.db2.gz OUOVZMMGGKUYHM-UHFFFAOYSA-N 0 0 381.426 5.006 50 0 GKAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1nc2ccccc2s1 ZINC000007599208 570964820 /nfs/dbraw/zinc/96/48/20/570964820.db2.gz WFHRUUPDLFFUJG-UHFFFAOYSA-N 0 0 377.450 5.418 50 0 GKAARN O=C(Nc1ccc(Cl)c2ncsc21)c1ccc(Oc2ccccc2)cc1 ZINC000007598945 570964867 /nfs/dbraw/zinc/96/48/67/570964867.db2.gz PGCDTXAAANJKAG-UHFFFAOYSA-N 0 0 380.856 5.994 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000025805240 570964967 /nfs/dbraw/zinc/96/49/67/570964967.db2.gz QEJGETXNQLEKQQ-UHFFFAOYSA-N 0 0 378.431 5.253 50 0 GKAARN Cc1ccc(C(O)(c2ccc(C)cc2)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000002173529 570965227 /nfs/dbraw/zinc/96/52/27/570965227.db2.gz SKENUMRDZMMSNY-UHFFFAOYSA-N 0 0 394.514 5.475 50 0 GKAARN CCCCCCOc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c1 ZINC000004754161 570965192 /nfs/dbraw/zinc/96/51/92/570965192.db2.gz VKMHRBBETHOSIT-GOSISDBHSA-N 0 0 399.918 5.421 50 0 GKAARN COc1ccc(CSc2nnc(SCc3cccc(Cl)c3)s2)cc1 ZINC000002508597 570965325 /nfs/dbraw/zinc/96/53/25/570965325.db2.gz XVEYWJYARAZZEP-UHFFFAOYSA-N 0 0 394.974 5.785 50 0 GKAARN Clc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000002381299 570965407 /nfs/dbraw/zinc/96/54/07/570965407.db2.gz JUJYLMOJEZTNIG-UHFFFAOYSA-N 0 0 389.911 6.151 50 0 GKAARN CC(C)c1cccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)c1 ZINC000033301000 570965714 /nfs/dbraw/zinc/96/57/14/570965714.db2.gz WTPZTIDDOBGDRV-UHFFFAOYSA-N 0 0 385.558 5.724 50 0 GKAARN COc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000002521027 570965703 /nfs/dbraw/zinc/96/57/03/570965703.db2.gz GOEXZGBZBRDOOT-SDNWHVSQSA-N 0 0 375.424 5.148 50 0 GKAARN CCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000002578219 570965712 /nfs/dbraw/zinc/96/57/12/570965712.db2.gz KVSFFPZMXAZBBB-UHFFFAOYSA-N 0 0 381.903 6.601 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1ccccc1 ZINC000003167639 570966960 /nfs/dbraw/zinc/96/69/60/570966960.db2.gz UGVCLGAFTAQAQK-SDNWHVSQSA-N 0 0 391.492 5.552 50 0 GKAARN O=C(/C=C/c1ccco1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000208011020 570967143 /nfs/dbraw/zinc/96/71/43/570967143.db2.gz VPUCLQOZORJBJU-VAWYXSNFSA-N 0 0 390.439 5.861 50 0 GKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc2ccccc21 ZINC000011326492 570968091 /nfs/dbraw/zinc/96/80/91/570968091.db2.gz UQGYOFJKLDCEJA-UHFFFAOYSA-N 0 0 378.378 5.344 50 0 GKAARN Brc1ccc(Oc2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000045900762 570968146 /nfs/dbraw/zinc/96/81/46/570968146.db2.gz YVXYLUDPUPAWHF-UHFFFAOYSA-N 0 0 398.304 5.565 50 0 GKAARN Cc1csc(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)c(C)s2)n1 ZINC000033308477 570968550 /nfs/dbraw/zinc/96/85/50/570968550.db2.gz FFNOJDWBEDPERF-UHFFFAOYSA-N 0 0 398.431 5.639 50 0 GKAARN CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccsc3)=NN21 ZINC000106922042 570968688 /nfs/dbraw/zinc/96/86/88/570968688.db2.gz ZIUAUGVOHIZUEX-DENIHFKCSA-N 0 0 376.481 5.389 50 0 GKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000004759933 570969142 /nfs/dbraw/zinc/96/91/42/570969142.db2.gz YKMZHWRZCYWVFM-HXUWFJFHSA-N 0 0 378.472 5.175 50 0 GKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1F ZINC000011327579 570969261 /nfs/dbraw/zinc/96/92/61/570969261.db2.gz HPZMHKYMSGYGQV-UHFFFAOYSA-N 0 0 379.218 5.359 50 0 GKAARN CCC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)s3)=NN21 ZINC000106937341 570969411 /nfs/dbraw/zinc/96/94/11/570969411.db2.gz VUZNMRLIXKKCGV-RDTXWAMCSA-N 0 0 391.334 5.570 50 0 GKAARN CCSc1ccccc1C(=O)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000211084095 570969483 /nfs/dbraw/zinc/96/94/83/570969483.db2.gz BVJAGJZUYUQLQO-UHFFFAOYSA-N 0 0 387.551 5.083 50 0 GKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 ZINC000106937361 570969596 /nfs/dbraw/zinc/96/95/96/570969596.db2.gz LBVNYRKGLOLHGR-IFMALSPDSA-N 0 0 396.824 5.861 50 0 GKAARN O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000004167567 570969699 /nfs/dbraw/zinc/96/96/99/570969699.db2.gz ZCTRBPIRWMFUOY-ZZXKWVIFSA-N 0 0 397.344 5.348 50 0 GKAARN Cc1ccc(Cn2nnc3c2ncnc3SCc2cccc3ccccc32)cc1 ZINC000004166393 570969723 /nfs/dbraw/zinc/96/97/23/570969723.db2.gz MJUVYJABWUXNOS-UHFFFAOYSA-N 0 0 397.507 5.024 50 0 GKAARN CC[C@H](C)N1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000002142742 570969854 /nfs/dbraw/zinc/96/98/54/570969854.db2.gz HOYATWODJTTXLP-IGWPVBGESA-N 0 0 389.561 5.822 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3C)ns2)c(C)c1 ZINC000004167442 570970766 /nfs/dbraw/zinc/97/07/66/570970766.db2.gz MZHXPAATGQGHJJ-UHFFFAOYSA-N 0 0 383.542 5.170 50 0 GKAARN CCOc1ccc(NC(=O)c2sc(Nc3ccccc3CC)nc2C)cc1 ZINC000033312242 570971276 /nfs/dbraw/zinc/97/12/76/570971276.db2.gz MPWRCNAPPFAWNJ-UHFFFAOYSA-N 0 0 381.501 5.409 50 0 GKAARN Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1C ZINC000002149340 570972107 /nfs/dbraw/zinc/97/21/07/570972107.db2.gz ZVLPAECMSTULFP-UHFFFAOYSA-N 0 0 399.446 5.094 50 0 biogenic GKAARN Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c3c(c(=O)oc12)CCCCC3 ZINC000002149750 570972236 /nfs/dbraw/zinc/97/22/36/570972236.db2.gz KXOHEESMHJYYHE-UHFFFAOYSA-N 0 0 378.855 6.437 50 0 biogenic GKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000033313119 570972287 /nfs/dbraw/zinc/97/22/87/570972287.db2.gz DBEGAXAYXIRVBK-UHFFFAOYSA-N 0 0 392.890 5.040 50 0 GKAARN CCc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000033315045 570972565 /nfs/dbraw/zinc/97/25/65/570972565.db2.gz RCUPKXHGLXWJJG-XMMPIXPASA-N 0 0 396.494 5.305 50 0 GKAARN CCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000004767983 570972797 /nfs/dbraw/zinc/97/27/97/570972797.db2.gz KXOVMTKEYXKVGT-LJQANCHMSA-N 0 0 381.501 5.120 50 0 GKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942453 570973229 /nfs/dbraw/zinc/97/32/29/570973229.db2.gz IRDNIVPFZBLDRE-JOCHJYFZSA-N 0 0 389.426 5.200 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942399 570973323 /nfs/dbraw/zinc/97/33/23/570973323.db2.gz WWVSWUNTVGLBNX-OAQYLSRUSA-N 0 0 377.390 5.330 50 0 GKAARN CCN(C(=O)c1ccc(F)cc1Br)C12CC3CC(CC(C3)C1)C2 ZINC000019295286 570973587 /nfs/dbraw/zinc/97/35/87/570973587.db2.gz RJWZXGWQHCHKFB-UHFFFAOYSA-N 0 0 380.301 5.019 50 0 GKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000208046152 570974506 /nfs/dbraw/zinc/97/45/06/570974506.db2.gz RXDIJINAKLZBQH-QGZVFWFLSA-N 0 0 399.865 5.679 50 0 GKAARN O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000044575308 570975332 /nfs/dbraw/zinc/97/53/32/570975332.db2.gz VFDMTZHUJPQOAJ-UHFFFAOYSA-N 0 0 399.328 5.268 50 0 GKAARN C[C@@H]1CC(=Cc2cccc(F)c2)C2=NC(=S)N[C@@H](c3cccc(F)c3)C2C1 ZINC000004497945 570975998 /nfs/dbraw/zinc/97/59/98/570975998.db2.gz PYYRKZQWKUWYCM-IAVMZAJCSA-N 0 0 382.479 5.251 50 0 GKAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000044756129 570976318 /nfs/dbraw/zinc/97/63/18/570976318.db2.gz JLYMYDXPCTZHEN-UHFFFAOYSA-N 0 0 398.340 5.059 50 0 GKAARN CCn1c2ccccc2c2cc(N[C@H](C(=O)NC3CC3)c3ccccc3)ccc21 ZINC000015468949 570976387 /nfs/dbraw/zinc/97/63/87/570976387.db2.gz BMFZXFIUEPEVHV-DEOSSOPVSA-N 0 0 383.495 5.246 50 0 GKAARN O=C(NC1CCCCC1)OCc1cccnc1Sc1ccc(Cl)cc1 ZINC000001388862 570976766 /nfs/dbraw/zinc/97/67/66/570976766.db2.gz RBLIZZBUZXKHLZ-UHFFFAOYSA-N 0 0 376.909 5.445 50 0 GKAARN COCc1cc(Sc2c(Cl)cccc2Cl)nc(-c2ccccc2)n1 ZINC000001388936 570976828 /nfs/dbraw/zinc/97/68/28/570976828.db2.gz SUVOXGWYLYOWHY-UHFFFAOYSA-N 0 0 377.296 5.748 50 0 GKAARN COCc1cc(Sc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1 ZINC000001388937 570976838 /nfs/dbraw/zinc/97/68/38/570976838.db2.gz CQEVQPZFCKSXQH-UHFFFAOYSA-N 0 0 377.296 5.748 50 0 GKAARN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(Br)c2Cl ZINC000201347985 570976915 /nfs/dbraw/zinc/97/69/15/570976915.db2.gz ACMOJQQTZKUVNX-UHFFFAOYSA-N 0 0 387.825 6.476 50 0 GKAARN COc1ccc(C(=O)[C@@H]2CN(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001394174 570978742 /nfs/dbraw/zinc/97/87/42/570978742.db2.gz POHZPKFPJZULFY-XZOQPEGZSA-N 0 0 391.898 5.452 50 0 GKAARN O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839287 570979291 /nfs/dbraw/zinc/97/92/91/570979291.db2.gz PAUHUQPOQNDJTR-UHFFFAOYSA-N 0 0 395.384 5.179 50 0 GKAARN COc1cccc(C(=O)[C@@H]2CN(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000001394193 570979525 /nfs/dbraw/zinc/97/95/25/570979525.db2.gz IYXXVLJXXHMUGV-XZOQPEGZSA-N 0 0 391.898 5.452 50 0 aggregator GKAARN CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1Cl ZINC000012737799 570979648 /nfs/dbraw/zinc/97/96/48/570979648.db2.gz BEZIVGKKMHNSGU-UHFFFAOYSA-N 0 0 391.905 5.044 50 0 GKAARN Fc1ccc(-c2ccc3cc(Br)cc(Br)c3n2)cc1 ZINC000001395325 570980332 /nfs/dbraw/zinc/98/03/32/570980332.db2.gz WQUCFKREMLHUTP-UHFFFAOYSA-N 0 0 381.042 5.566 50 0 GKAARN Cc1[nH]nc2c1[C@@H](c1cccc(OCc3ccc(C)cc3)c1)SCC(=O)N2 ZINC000044891798 570980759 /nfs/dbraw/zinc/98/07/59/570980759.db2.gz NCVIXFSYZNMZIQ-HXUWFJFHSA-N 0 0 379.485 5.030 50 0 GKAARN C[C@@H](c1ccco1)N(C(=O)Cc1c(Cl)cccc1Cl)c1ccccn1 ZINC000012739541 570981232 /nfs/dbraw/zinc/98/12/32/570981232.db2.gz AJNDDNZUNLRHJB-ZDUSSCGKSA-N 0 0 375.255 5.318 50 0 GKAARN Cc1ccc(-c2nc3ncccc3n2OCc2ccc(Cl)cc2Cl)cc1 ZINC000001400192 570981420 /nfs/dbraw/zinc/98/14/20/570981420.db2.gz NRVGOPIGMPYDDU-UHFFFAOYSA-N 0 0 384.266 5.342 50 0 GKAARN O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1ccccc1F ZINC000001400782 570981773 /nfs/dbraw/zinc/98/17/73/570981773.db2.gz IMDZVKFGNZRCNX-UHFFFAOYSA-N 0 0 391.471 5.106 50 0 GKAARN Cc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4C)c3)no2)cc1 ZINC000033327246 570982352 /nfs/dbraw/zinc/98/23/52/570982352.db2.gz SYXOTJXSIABERX-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Cl)c1Cl ZINC000001403714 570982355 /nfs/dbraw/zinc/98/23/55/570982355.db2.gz JJRDSLQOAXLHGH-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001401655 570982401 /nfs/dbraw/zinc/98/24/01/570982401.db2.gz FIMFFMVDMNMTLJ-UHFFFAOYSA-N 0 0 385.854 5.716 50 0 aggregator GKAARN Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4C)c3)no2)c1 ZINC000033327262 570982389 /nfs/dbraw/zinc/98/23/89/570982389.db2.gz FBVFVWGBJBNIPP-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccccc1-c1nnc(SCc2ccccc2F)n1-c1ccccc1 ZINC000004184660 570984770 /nfs/dbraw/zinc/98/47/70/570984770.db2.gz KRQITRIAKFYCOV-UHFFFAOYSA-N 0 0 375.472 5.674 50 0 GKAARN Cc1cccc(C[C@@H](c2nc3ccccc3[nH]2)[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001409356 570985304 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CC(C)(C)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002079395 209346078 /nfs/dbraw/zinc/34/60/78/209346078.db2.gz SIJCKROELTUXJV-UHFFFAOYSA-N 0 0 381.475 6.419 50 0 GKAARN CC(C)Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000002088945 209345790 /nfs/dbraw/zinc/34/57/90/209345790.db2.gz WSKKDGXAZZJJEV-UHFFFAOYSA-N 0 0 398.481 6.492 50 0 GKAARN CCCOc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1 ZINC000002088309 209345816 /nfs/dbraw/zinc/34/58/16/209345816.db2.gz HMVSYCCEFSEEIA-UHFFFAOYSA-N 0 0 388.511 5.707 50 0 GKAARN Fc1ccccc1CSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 ZINC000002094398 209345884 /nfs/dbraw/zinc/34/58/84/209345884.db2.gz RLWNCFIYSZHGGI-UHFFFAOYSA-N 0 0 394.475 5.045 50 0 biogenic GKAARN CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000002085626 209345905 /nfs/dbraw/zinc/34/59/05/209345905.db2.gz GRPXMHKMFLESGC-ZWKOTPCHSA-N 0 0 397.540 5.326 50 0 GKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002082000 209345647 /nfs/dbraw/zinc/34/56/47/209345647.db2.gz LGPMCTVEKZKICW-UHFFFAOYSA-N 0 0 393.273 6.461 50 0 GKAARN Cc1ccc(/C=C/c2ccccc2-c2ccccc2/C=C/c2ccc(C)cc2)cc1 ZINC000002077526 209345683 /nfs/dbraw/zinc/34/56/83/209345683.db2.gz OLINDKCPBNEIAH-FLFKKZLDSA-N 0 0 386.538 8.311 50 0 GKAARN CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccc(C)cc1 ZINC000002093853 209345687 /nfs/dbraw/zinc/34/56/87/209345687.db2.gz YLSMYDMZPXQCAD-UHFFFAOYSA-N 0 0 375.512 6.147 50 0 GKAARN Cc1ccc(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c(C)c1 ZINC000002054231 209345342 /nfs/dbraw/zinc/34/53/42/209345342.db2.gz JFDUZYSHKYGPPP-QGZVFWFLSA-N 0 0 385.722 5.150 50 0 GKAARN S=c1nc(-c2ccccc2Cl)n(-c2cccc(Cl)c2)c2c1CCCC2 ZINC000002073349 209345023 /nfs/dbraw/zinc/34/50/23/209345023.db2.gz VKMWDVPSRQYPED-UHFFFAOYSA-N 0 0 387.335 6.454 50 0 GKAARN CCCCCOc1ccc(N[P@@](C)(=O)Oc2ccc(C(C)C)cc2)cc1 ZINC000002059532 209345107 /nfs/dbraw/zinc/34/51/07/209345107.db2.gz GDMONDSBBCGMTC-SANMLTNESA-N 0 0 375.449 6.693 50 0 GKAARN CCCC(=O)N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000002054640 209345197 /nfs/dbraw/zinc/34/51/97/209345197.db2.gz FOQSHZYYKGLIPT-LLVKDONJSA-N 0 0 378.514 5.018 50 0 GKAARN CCCC[C@H](CC)C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000002069839 209344857 /nfs/dbraw/zinc/34/48/57/209344857.db2.gz NKPIOCQFJYOUAJ-AWEZNQCLSA-N 0 0 390.886 5.886 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)cc1 ZINC000002071361 209345017 /nfs/dbraw/zinc/34/50/17/209345017.db2.gz NBTXCQKJUWZVFE-UHFFFAOYSA-N 0 0 383.488 5.321 50 0 GKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(CC)cc3)sc1C(C)(C)N2 ZINC000002069162 209344749 /nfs/dbraw/zinc/34/47/49/209344749.db2.gz HNDGIFLHDFJXHJ-UHFFFAOYSA-N 0 0 396.581 6.557 50 0 GKAARN Cc1cc(C)c2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)c1ccccc1 ZINC000002059675 209344432 /nfs/dbraw/zinc/34/44/32/209344432.db2.gz QQCIIFVGCYFHOP-UHFFFAOYSA-N 0 0 397.590 6.718 50 0 GKAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000002069684 209344498 /nfs/dbraw/zinc/34/44/98/209344498.db2.gz 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209342771 /nfs/dbraw/zinc/34/27/71/209342771.db2.gz OETKYDZTCVQJOK-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 GKAARN C[C@@H]1CN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)C[C@@H](C)O1 ZINC000001904955 209342776 /nfs/dbraw/zinc/34/27/76/209342776.db2.gz WIHUIVISJVIMDN-IAGOWNOFSA-N 0 0 375.516 5.208 50 0 GKAARN Cc1ccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 ZINC000001914128 209342656 /nfs/dbraw/zinc/34/26/56/209342656.db2.gz WZKBGTRRNWKUHS-UHFFFAOYSA-N 0 0 385.813 5.773 50 0 GKAARN CCCOc1ccc(-c2nc3ccccc3c(Oc3ccc(OC)cc3)n2)cc1 ZINC000001898842 209342308 /nfs/dbraw/zinc/34/23/08/209342308.db2.gz UBKHWHLZLANWTL-UHFFFAOYSA-N 0 0 386.451 5.887 50 0 GKAARN O=P(Nc1ccc(Cl)c(Cl)c1)(Oc1ccccc1)Oc1ccccc1 ZINC000001846217 209341777 /nfs/dbraw/zinc/34/17/77/209341777.db2.gz VHHOYVBYIAZBFK-UHFFFAOYSA-N 0 0 394.194 6.671 50 0 GKAARN Cc1nc2sc3c(c2c(Oc2ccc(Cc4ccccc4)cc2)n1)CCCC3 ZINC000001895506 209341628 /nfs/dbraw/zinc/34/16/28/209341628.db2.gz YHJIMLOIOGWVHI-UHFFFAOYSA-N 0 0 386.520 6.262 50 0 GKAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 ZINC000001895334 209341490 /nfs/dbraw/zinc/34/14/90/209341490.db2.gz GOORXGCVGMBSIH-HNNXBMFYSA-N 0 0 398.597 6.088 50 0 GKAARN CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(OC)c(OC)c3)c2c1 ZINC000001892369 209341531 /nfs/dbraw/zinc/34/15/31/209341531.db2.gz CEJFDRRJWRLGIT-YYADALCUSA-N 0 0 385.463 5.912 50 0 GKAARN CSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001844286 209341061 /nfs/dbraw/zinc/34/10/61/209341061.db2.gz APGVYYOYBDQBGC-UHFFFAOYSA-N 0 0 388.536 5.298 50 0 GKAARN O=C(Oc1ccc2c(c1)oc(=O)c1c2CCCC1)c1ccc(Cl)cc1Cl ZINC000001806215 209340422 /nfs/dbraw/zinc/34/04/22/209340422.db2.gz JAHKBMNMJVSWQL-UHFFFAOYSA-N 0 0 389.234 5.198 50 0 GKAARN CCCCOC(=O)c1cccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)c1 ZINC000001787721 209340425 /nfs/dbraw/zinc/34/04/25/209340425.db2.gz UGNVPFXBFNGXSL-UHFFFAOYSA-N 0 0 396.270 5.211 50 0 GKAARN CCCCCCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 ZINC000001825003 209340482 /nfs/dbraw/zinc/34/04/82/209340482.db2.gz TXBGOZGDKSUXMF-UHFFFAOYSA-N 0 0 398.597 5.916 50 0 GKAARN CC[C@]1(C)Cc2ccccc2-c2nc(SC(C)C)n(-c3ccccc3)c(=O)c21 ZINC000001827915 209339920 /nfs/dbraw/zinc/33/99/20/209339920.db2.gz AESRNJNITCEWNZ-XMMPIXPASA-N 0 0 390.552 5.624 50 0 GKAARN CCCCc1c(C)c2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2oc1=O ZINC000001830835 209339445 /nfs/dbraw/zinc/33/94/45/209339445.db2.gz JCZLSOWJIHQQNL-UHFFFAOYSA-N 0 0 388.463 6.038 50 0 GKAARN CCOc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000001770450 209338964 /nfs/dbraw/zinc/33/89/64/209338964.db2.gz ABJLQIHSSRVULX-UHFFFAOYSA-N 0 0 375.859 6.093 50 0 GKAARN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000001768779 209338840 /nfs/dbraw/zinc/33/88/40/209338840.db2.gz CUTLXSNGAGFVCQ-UHFFFAOYSA-N 0 0 379.887 5.683 50 0 GKAARN C[C@@H](Sc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)OC1CCCCC1 ZINC000001778547 209338874 /nfs/dbraw/zinc/33/88/74/209338874.db2.gz BAYPLAAPJSSORH-CHWSQXEVSA-N 0 0 390.574 5.173 50 0 GKAARN Cc1cccc(-c2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000001775554 209338283 /nfs/dbraw/zinc/33/82/83/209338283.db2.gz PQFWHDZYCZHODC-UHFFFAOYSA-N 0 0 380.278 6.656 50 0 GKAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1Cl ZINC000010408764 209338403 /nfs/dbraw/zinc/33/84/03/209338403.db2.gz JIEDQEICWLLMLD-UHFFFAOYSA-N 0 0 375.255 5.528 50 0 GKAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1c(Cl)cccc1Cl ZINC000001776870 209338446 /nfs/dbraw/zinc/33/84/46/209338446.db2.gz JFLHAAFKCYNLOY-UHFFFAOYSA-N 0 0 387.291 5.480 50 0 GKAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccc(Cl)cc1Cl ZINC000001778425 209338467 /nfs/dbraw/zinc/33/84/67/209338467.db2.gz WFDJCQOCSWQSOZ-UHFFFAOYSA-N 0 0 387.291 5.480 50 0 GKAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(Cl)c1 ZINC000001770417 209337891 /nfs/dbraw/zinc/33/78/91/209337891.db2.gz NUCJPGAJLCEBDC-UHFFFAOYSA-N 0 0 375.255 5.770 50 0 GKAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N[C@H]1CCCC[C@H]1C ZINC000001774669 209337901 /nfs/dbraw/zinc/33/79/01/209337901.db2.gz FHTKGVZBGKHFDB-ABAIWWIYSA-N 0 0 381.303 5.709 50 0 GKAARN O=C(Nc1ccccc1Cl)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000001705782 209337418 /nfs/dbraw/zinc/33/74/18/209337418.db2.gz ANMAHDBAAQUWFO-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001738302 209336372 /nfs/dbraw/zinc/33/63/72/209336372.db2.gz OOSJCUMLQJNCSR-UHFFFAOYSA-N 0 0 386.757 5.180 50 0 GKAARN C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)c(Cl)c2)S1 ZINC000001644596 209335570 /nfs/dbraw/zinc/33/55/70/209335570.db2.gz OHVWSBHQJCNHKC-NSHDSACASA-N 0 0 380.300 5.523 50 0 GKAARN O=c1c2ccccc2nc2n1[C@H](CSc1c(Cl)cccc1Cl)CS2 ZINC000001405470 209327172 /nfs/dbraw/zinc/32/71/72/209327172.db2.gz OOLAGZDVMBRUHL-SNVBAGLBSA-N 0 0 395.336 5.142 50 0 GKAARN FC(F)(F)c1cnc(-n2cc(Br)c3ccccc32)c(Cl)c1 ZINC000001397502 209327175 /nfs/dbraw/zinc/32/71/75/209327175.db2.gz WVWJFPRAFCFSEY-UHFFFAOYSA-N 0 0 375.575 5.460 50 0 GKAARN O=c1c2ccccc2nc2n1[C@@H](CSc1cc(Cl)ccc1Cl)CS2 ZINC000001405479 209327206 /nfs/dbraw/zinc/32/72/06/209327206.db2.gz AMKQLBQRRYUAHE-NSHDSACASA-N 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Cc1cc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c2c1C(=O)C(C)(C)C2 ZINC000001045561 209292971 /nfs/dbraw/zinc/29/29/71/209292971.db2.gz AYONQQSBVYCCQR-UHFFFAOYSA-N 0 0 375.390 5.340 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1c(Oc2ccccc2)nccc1C(F)(F)F ZINC000001043055 209293000 /nfs/dbraw/zinc/29/30/00/209293000.db2.gz FMUXDGGOHZRYSN-UHFFFAOYSA-N 0 0 394.299 5.423 50 0 GKAARN CCOc1ccc(NC(=O)[C@@H](Nc2ccc(OCC)cc2)c2ccccc2)cc1 ZINC000001041600 209292372 /nfs/dbraw/zinc/29/23/72/209292372.db2.gz GAQDAAOMCRBVRJ-QHCPKHFHSA-N 0 0 390.483 5.276 50 0 GKAARN O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000001044262 209292508 /nfs/dbraw/zinc/29/25/08/209292508.db2.gz ZEQIMXQAKYXNKY-AWEZNQCLSA-N 0 0 386.687 5.071 50 0 GKAARN FC(F)(F)c1cccc(-c2noc(-c3ccc(-c4cccs4)s3)n2)c1 ZINC000001039579 209291679 /nfs/dbraw/zinc/29/16/79/209291679.db2.gz JRFCEFTZZSNMRP-UHFFFAOYSA-N 0 0 378.400 6.212 50 0 GKAARN Cc1ccc(NC(=O)n2nccc2-c2ccc(-c3cccs3)s2)cc1Cl ZINC000001039496 209291445 /nfs/dbraw/zinc/29/14/45/209291445.db2.gz 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CCOc1cc(C(=O)Nc2ccc([C@@H](C)CC)cc2)cc(OCC)c1OCC ZINC000000995224 209287887 /nfs/dbraw/zinc/28/78/87/209287887.db2.gz LQAMHLHUUHWWKR-INIZCTEOSA-N 0 0 385.504 5.649 50 0 GKAARN COc1ccc(Cl)cc1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000000998646 209287958 /nfs/dbraw/zinc/28/79/58/209287958.db2.gz FCRIXHZSHKDJEC-UHFFFAOYSA-N 0 0 379.887 5.301 50 0 GKAARN CC(C)c1ccc(OCc2cccc(C(=O)OCC(F)(F)C(F)F)c2)cc1 ZINC000001009078 209289365 /nfs/dbraw/zinc/28/93/65/209289365.db2.gz XMEBFRFYACXGJG-UHFFFAOYSA-N 0 0 384.369 5.446 50 0 GKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000996415 209287046 /nfs/dbraw/zinc/28/70/46/209287046.db2.gz WOCRMJOCFLQUSI-CVEARBPZSA-N 0 0 399.313 5.315 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)o1 ZINC000000997705 209287085 /nfs/dbraw/zinc/28/70/85/209287085.db2.gz CMULSNYWVZIADJ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000000990615 209286231 /nfs/dbraw/zinc/28/62/31/209286231.db2.gz 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Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000947773 209282256 /nfs/dbraw/zinc/28/22/56/209282256.db2.gz CHIGZQCNPQYRFX-UHFFFAOYSA-N 0 0 384.435 5.481 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1 ZINC000000944073 209282287 /nfs/dbraw/zinc/28/22/87/209282287.db2.gz ZUFZRTXYNTWEKU-UHFFFAOYSA-N 0 0 397.496 5.050 50 0 GKAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O ZINC000000939319 209280975 /nfs/dbraw/zinc/28/09/75/209280975.db2.gz NKPSIHAACMIVTO-UHFFFAOYSA-N 0 0 392.329 5.146 50 0 GKAARN Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000000940173 209280778 /nfs/dbraw/zinc/28/07/78/209280778.db2.gz JBLYIJMJQAXDIA-QPJJXVBHSA-N 0 0 385.088 5.716 50 0 GKAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000000939235 209280226 /nfs/dbraw/zinc/28/02/26/209280226.db2.gz XOHBKUFCDPMGHI-UHFFFAOYSA-N 0 0 395.673 5.046 50 0 GKAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=S)Nc1ccccc1 ZINC000000897462 209278026 /nfs/dbraw/zinc/27/80/26/209278026.db2.gz 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/nfs/dbraw/zinc/27/24/02/209272402.db2.gz JLEXIPIDPWKAFI-UHFFFAOYSA-N 0 0 388.858 5.652 50 0 GKAARN Cc1cc2nc3n(c2cc1C)C(=O)[C@H]1[C@@H]3C2c3ccccc3C1c1ccccc12 ZINC000000843933 209271943 /nfs/dbraw/zinc/27/19/43/209271943.db2.gz WYWPGAHRWQEBNN-STTLMXHVSA-N 0 0 376.459 5.298 50 0 GKAARN CC(=O)N(c1ccc(C)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000000844615 209271376 /nfs/dbraw/zinc/27/13/76/209271376.db2.gz YUKLUADIJIYHQB-UQBPGWFLSA-N 0 0 398.506 5.528 50 0 GKAARN CCC(=O)N[C@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000000808695 209268629 /nfs/dbraw/zinc/26/86/29/209268629.db2.gz SJRCVQPHVCNRIN-SNVBAGLBSA-N 0 0 398.932 5.281 50 0 GKAARN CN1c2ccccc2C(C)(C)/C1=C\[P@](=O)(C1CCCCC1)N1CCOCC1 ZINC000034913550 209268691 /nfs/dbraw/zinc/26/86/91/209268691.db2.gz BDGSSJVNXRVLLP-WRINRREJSA-N 0 0 388.492 5.198 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000000755337 209264058 /nfs/dbraw/zinc/26/40/58/209264058.db2.gz USDSLOYNBCTBDI-UHFFFAOYSA-N 0 0 399.381 5.541 50 0 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WRLLMZOYXZATHZ-UHFFFAOYSA-N 0 0 395.549 6.019 50 0 GKAARN CC(C)c1ccc2c(c1)C(=O)Cc1cc(I)ccc1S2 ZINC000000717545 209261432 /nfs/dbraw/zinc/26/14/32/209261432.db2.gz IZMUIIFYZRFFKU-UHFFFAOYSA-N 0 0 394.277 5.305 50 0 GKAARN COC(=O)c1c(NC(=O)Cc2ccccc2)sc(C)c1-c1cccc(Cl)c1 ZINC000000681596 209259453 /nfs/dbraw/zinc/25/94/53/209259453.db2.gz TYIQRBKEXCAAEJ-UHFFFAOYSA-N 0 0 399.899 5.345 50 0 GKAARN COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc(C)c1-c1ccc(F)cc1 ZINC000000679968 209259566 /nfs/dbraw/zinc/25/95/66/209259566.db2.gz ZSADYAGKLJNHGR-MDWZMJQESA-N 0 0 395.455 5.301 50 0 GKAARN CC1(C)OC(c2cccc(NC(=O)Cc3cccc4ccccc43)c2)OC1(C)C ZINC000000679459 209259294 /nfs/dbraw/zinc/25/92/94/209259294.db2.gz LHBMIONTROULLP-UHFFFAOYSA-N 0 0 389.495 5.624 50 0 GKAARN Cc1ccc2c(N)c(C(=O)N3c4ccccc4Sc4ccccc43)sc2n1 ZINC000000688345 209259212 /nfs/dbraw/zinc/25/92/12/209259212.db2.gz BEXGRXDHJKMBOF-UHFFFAOYSA-N 0 0 389.505 5.630 50 0 GKAARN Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000682250 209258978 /nfs/dbraw/zinc/25/89/78/209258978.db2.gz HEDDCWXHLIABRO-UHFFFAOYSA-N 0 0 393.870 5.205 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000689109 209259014 /nfs/dbraw/zinc/25/90/14/209259014.db2.gz AGBVEJFFPCJWIK-NSHDSACASA-N 0 0 376.840 5.009 50 0 GKAARN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000000673844 209258351 /nfs/dbraw/zinc/25/83/51/209258351.db2.gz WIIZHTFPCFIUIQ-UHFFFAOYSA-N 0 0 394.110 5.427 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1Br ZINC000000666700 209256880 /nfs/dbraw/zinc/25/68/80/209256880.db2.gz UYIKNTBDJCCYDD-UHFFFAOYSA-N 0 0 393.712 5.345 50 0 GKAARN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1Cl ZINC000000677408 209258312 /nfs/dbraw/zinc/25/83/12/209258312.db2.gz BIVHWWOERAAYMJ-XYOKQWHBSA-N 0 0 388.858 5.034 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc32)c1 ZINC000000673614 209257543 /nfs/dbraw/zinc/25/75/43/209257543.db2.gz FGZGQKBRLDALMP-UHFFFAOYSA-N 0 0 386.476 5.727 50 0 GKAARN COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1ccco1 ZINC000000676373 209257547 /nfs/dbraw/zinc/25/75/47/209257547.db2.gz NKLWJIYMNKVZSH-UHFFFAOYSA-N 0 0 383.469 5.345 50 0 GKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1F ZINC000000648868 209255728 /nfs/dbraw/zinc/25/57/28/209255728.db2.gz ZUUUWPOESIBVIW-UHFFFAOYSA-N 0 0 396.372 5.034 50 0 GKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccoc1C ZINC000000656883 209255789 /nfs/dbraw/zinc/25/57/89/209255789.db2.gz DWUNTPSNUPCALT-UHFFFAOYSA-N 0 0 375.833 5.009 50 0 GKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1F ZINC000000656862 209255644 /nfs/dbraw/zinc/25/56/44/209255644.db2.gz ZXDMTIGIQFTKTG-UHFFFAOYSA-N 0 0 387.407 5.122 50 0 GKAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)cc1 ZINC000000648776 209255174 /nfs/dbraw/zinc/25/51/74/209255174.db2.gz OCMIGLIPBGMONX-SFHVURJKSA-N 0 0 396.490 5.710 50 0 GKAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000000666356 209256723 /nfs/dbraw/zinc/25/67/23/209256723.db2.gz AVRZLYPHGHJMIO-LJQANCHMSA-N 0 0 387.870 5.461 50 0 GKAARN Cc1cccc(NC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000000667342 209256791 /nfs/dbraw/zinc/25/67/91/209256791.db2.gz RADVGIJQBJJDDG-UHFFFAOYSA-N 0 0 388.290 5.525 50 0 GKAARN CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2ccco2)cc1OCC ZINC000000668038 209256541 /nfs/dbraw/zinc/25/65/41/209256541.db2.gz KOHZPUAXAWZJPS-FQEVSTJZSA-N 0 0 393.483 5.181 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 ZINC000000666943 209256379 /nfs/dbraw/zinc/25/63/79/209256379.db2.gz ALLIJPFQTOTYOY-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN CCc1cccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c1 ZINC000000656541 209255895 /nfs/dbraw/zinc/25/58/95/209255895.db2.gz MTOKTTPGCQGLGK-UHFFFAOYSA-N 0 0 375.255 5.772 50 0 GKAARN O=C(CC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000000634473 209253231 /nfs/dbraw/zinc/25/32/31/209253231.db2.gz QTZMREHMWVTWNU-UHFFFAOYSA-N 0 0 392.069 5.268 50 0 GKAARN O=C(c1ccccc1Br)N(Cc1ccccc1)Cc1ccccc1 ZINC000000634152 209253113 /nfs/dbraw/zinc/25/31/13/209253113.db2.gz ZUGSMSIGBOZFOP-UHFFFAOYSA-N 0 0 380.285 5.292 50 0 GKAARN O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000633187 209252855 /nfs/dbraw/zinc/25/28/55/209252855.db2.gz HZTXNXCOYSHHMA-JOCHJYFZSA-N 0 0 394.312 5.288 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000000631078 209252726 /nfs/dbraw/zinc/25/27/26/209252726.db2.gz HRQNBXPSTGVBRL-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CCN(CC)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000000640467 209254146 /nfs/dbraw/zinc/25/41/46/209254146.db2.gz PGSGICAGUNHFPD-UHFFFAOYSA-N 0 0 396.535 5.025 50 0 GKAARN Cc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc2n1 ZINC000000644546 209254243 /nfs/dbraw/zinc/25/42/43/209254243.db2.gz SPLXDRVBFZEVCE-XMMPIXPASA-N 0 0 381.431 5.324 50 0 GKAARN CCNC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000643874 209254313 /nfs/dbraw/zinc/25/43/13/209254313.db2.gz AATRRLJPYZLXGO-MRXNPFEDSA-N 0 0 398.572 5.210 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000000640792 209253639 /nfs/dbraw/zinc/25/36/39/209253639.db2.gz UDGPHUWYKVYZRH-UHFFFAOYSA-N 0 0 395.069 5.326 50 0 GKAARN COc1ccc(-c2c3c(nc4sc5c(nc(C)nc5SC)c42)CCC3)cc1 ZINC000000642950 209253653 /nfs/dbraw/zinc/25/36/53/209253653.db2.gz SJIGMIJLMQTNRL-UHFFFAOYSA-N 0 0 393.537 5.434 50 0 GKAARN COC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 ZINC000000633036 209252611 /nfs/dbraw/zinc/25/26/11/209252611.db2.gz WEZGMVVHTMLSPB-HNNXBMFYSA-N 0 0 377.415 5.022 50 0 GKAARN O=C(Nc1nnc(-c2ccc(Cl)c(Cl)c2)o1)Nc1ccc(Cl)cc1 ZINC000000634425 209252668 /nfs/dbraw/zinc/25/26/68/209252668.db2.gz MZWQTOUVTVHFQB-UHFFFAOYSA-N 0 0 383.622 5.341 50 0 GKAARN COc1cc(NCc2cc(Cl)cc(Cl)c2OC)ccc1NC(=O)C(C)C ZINC000000623922 209252220 /nfs/dbraw/zinc/25/22/20/209252220.db2.gz QBBCQMCDUOPAIJ-UHFFFAOYSA-N 0 0 397.302 5.217 50 0 GKAARN Cc1cccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000626693 209251311 /nfs/dbraw/zinc/25/13/11/209251311.db2.gz DUOFLPNDGWGKFH-SFHVURJKSA-N 0 0 399.321 5.883 50 0 GKAARN Cc1ccc(-c2nc(C(=O)N(c3cccc(F)c3)C3CCOCC3)cs2)cc1 ZINC000150942338 209246062 /nfs/dbraw/zinc/24/60/62/209246062.db2.gz KJZSHHZQAOBVGN-UHFFFAOYSA-N 0 0 396.487 5.083 50 0 GKAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(Cl)cc1Cl ZINC000096759103 209241807 /nfs/dbraw/zinc/24/18/07/209241807.db2.gz UUOLCEMTDIFAGW-KPKJPENVSA-N 0 0 377.296 5.326 50 0 GKAARN O=C(/C=C\c1c(F)cccc1F)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000096291466 209240176 /nfs/dbraw/zinc/24/01/76/209240176.db2.gz AIDHHJXLCJGFME-YUIUBULTSA-N 0 0 384.451 5.342 50 0 GKAARN Cc1cc(/C=C2/N=C(c3cccs3)OC2=O)c2c(C)ccc(C(C)C)cc1-2 ZINC000096931052 209241801 /nfs/dbraw/zinc/24/18/01/209241801.db2.gz ACOXPOGRBOQUGM-XDHOZWIPSA-N 0 0 375.493 5.938 50 0 GKAARN COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)cc1 ZINC000015390608 209234423 /nfs/dbraw/zinc/23/44/23/209234423.db2.gz RHIYFBINRVNZBE-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN Cc1c2cc(NC(=O)c3ccc(C)cc3)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729453 209234795 /nfs/dbraw/zinc/23/47/95/209234795.db2.gz OPTFASWHBZMWJK-UHFFFAOYSA-N 0 0 383.447 5.841 50 0 GKAARN Cc1noc(-c2ccc(OCc3ccccc3Cl)cc2O)c1-c1ccccc1 ZINC000005424113 209231802 /nfs/dbraw/zinc/23/18/02/209231802.db2.gz QQSQBKZTVUUDCA-UHFFFAOYSA-N 0 0 391.854 6.255 50 0 GKAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)cc1 ZINC000005176842 209231873 /nfs/dbraw/zinc/23/18/73/209231873.db2.gz PVUJWCOHGNSRNH-UHFFFAOYSA-N 0 0 390.414 5.176 50 0 GKAARN Cc1ccc(-c2coc3c2cc2c(C)c(Cc4ccccc4)c(=O)oc2c3C)cc1 ZINC000004029259 209231658 /nfs/dbraw/zinc/23/16/58/209231658.db2.gz ILKJTKQWIVFKDL-UHFFFAOYSA-N 0 0 394.470 6.722 50 0 biogenic GKAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000002426546 209229274 /nfs/dbraw/zinc/22/92/74/209229274.db2.gz VFFONRGIYNYAPC-UHFFFAOYSA-N 0 0 382.721 5.058 50 0 biogenic GKAARN C=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 ZINC000002666273 209228154 /nfs/dbraw/zinc/22/81/54/209228154.db2.gz COFUXSHYWFUKNF-UHFFFAOYSA-N 0 0 388.850 6.335 50 0 GKAARN COc1ccc(-c2cc(=O)oc3cc4occ(-c5cccc(OC)c5)c4cc32)cc1 ZINC000002115146 209230179 /nfs/dbraw/zinc/23/01/79/209230179.db2.gz BURHVDPUSWDKFQ-UHFFFAOYSA-N 0 0 398.414 5.890 50 0 biogenic GKAARN COc1ccccc1COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000002126319 209230111 /nfs/dbraw/zinc/23/01/11/209230111.db2.gz DZQTWAXYZCCNFS-UHFFFAOYSA-N 0 0 392.838 5.701 50 0 biogenic GKAARN Cc1oc2cc(OC(=O)c3ccccc3Cl)ccc2c(=O)c1-c1ccccc1 ZINC000001447959 209227438 /nfs/dbraw/zinc/22/74/38/209227438.db2.gz ONZUIABCODABLG-UHFFFAOYSA-N 0 0 390.822 5.641 50 0 GKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2c(C)cc(C)cc12 ZINC000001448142 209227171 /nfs/dbraw/zinc/22/71/71/209227171.db2.gz ZRQHHJZQPBOSEV-UHFFFAOYSA-N 0 0 383.241 5.894 50 0 biogenic GKAARN CCOC(=O)c1c(C)oc2ccc(OCc3ccc(Br)cc3)cc21 ZINC000000639007 209226453 /nfs/dbraw/zinc/22/64/53/209226453.db2.gz HKQFMUNMHGWDOI-UHFFFAOYSA-N 0 0 389.245 5.259 50 0 GKAARN FC(F)(F)Oc1ccc(-c2noc(-c3cccn3Cc3ccccc3)n2)cc1 ZINC000263617016 209225676 /nfs/dbraw/zinc/22/56/76/209225676.db2.gz LRWAFHXJNSHAKI-UHFFFAOYSA-N 0 0 385.345 5.152 50 0 GKAARN CC(C)C[C@H](C(=O)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21)n1cccc1 ZINC000263588363 209224743 /nfs/dbraw/zinc/22/47/43/209224743.db2.gz SIQIOAZDCGEASD-RBUKOAKNSA-N 0 0 383.923 5.404 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 ZINC000002062186 212263801 /nfs/dbraw/zinc/26/38/01/212263801.db2.gz MJRTVTYKYUDMFL-UHFFFAOYSA-N 0 0 398.311 5.363 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000002073511 212263619 /nfs/dbraw/zinc/26/36/19/212263619.db2.gz OPTCHDMIIWYBLK-LJQANCHMSA-N 0 0 392.886 5.725 50 0 GKAARN Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1-c1cc2ccccc2oc1=O ZINC000002063277 212263656 /nfs/dbraw/zinc/26/36/56/212263656.db2.gz WITARKHWKLHFRZ-SDNWHVSQSA-N 0 0 381.431 5.420 50 0 GKAARN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc(F)cc3)c3ccc(C)cc32)cc1 ZINC000002059435 212263667 /nfs/dbraw/zinc/26/36/67/212263667.db2.gz VYUJSNPJDQYXJO-FDDCHVKYSA-N 0 0 388.486 6.035 50 0 GKAARN O=C(CCCCCCCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002054584 212263392 /nfs/dbraw/zinc/26/33/92/212263392.db2.gz QEDQVOPOYKPGHR-UHFFFAOYSA-N 0 0 377.311 6.790 50 0 GKAARN CCc1ccc(C)c(OC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000002065806 212263333 /nfs/dbraw/zinc/26/33/33/212263333.db2.gz RMGVRSYIQDMSQR-LLVKDONJSA-N 0 0 387.690 5.891 50 0 GKAARN Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(F)cc1 ZINC000002060882 212263348 /nfs/dbraw/zinc/26/33/48/212263348.db2.gz PAWWLNRKQJTTAP-SANMLTNESA-N 0 0 387.498 6.269 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002060582 212263013 /nfs/dbraw/zinc/26/30/13/212263013.db2.gz RFNXGFLUZCMNBD-HNNXBMFYSA-N 0 0 385.529 5.328 50 0 GKAARN CC(C)(C)c1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(C(C)(C)C)c1O ZINC000002054707 212263109 /nfs/dbraw/zinc/26/31/09/212263109.db2.gz FXAABOJPDIQPHE-UYRXBGFRSA-N 0 0 395.474 5.471 50 0 GKAARN CC(C)(C)c1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc(C(C)(C)C)c1O ZINC000002054711 212263122 /nfs/dbraw/zinc/26/31/22/212263122.db2.gz BYQBJVJYQRKXPL-UYRXBGFRSA-N 0 0 395.474 5.471 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)CCC2CCCC2)c1 ZINC000002069769 212263162 /nfs/dbraw/zinc/26/31/62/212263162.db2.gz HJGSZJJFULGDPW-UHFFFAOYSA-N 0 0 384.907 5.810 50 0 GKAARN CCN(CC)c1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000002063990 212262704 /nfs/dbraw/zinc/26/27/04/212262704.db2.gz DJYIJKWUYGIBTP-UHFFFAOYSA-N 0 0 392.355 6.707 50 0 GKAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000002056897 212262789 /nfs/dbraw/zinc/26/27/89/212262789.db2.gz ZNMVPADFJWFFCZ-QFIPXVFZSA-N 0 0 375.859 5.268 50 0 GKAARN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)OCC(C)C)c2c1 ZINC000002078791 212262815 /nfs/dbraw/zinc/26/28/15/212262815.db2.gz RAHQIACVYSKCKQ-UHFFFAOYSA-N 0 0 398.300 5.786 50 0 GKAARN CCCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000002052132 212262358 /nfs/dbraw/zinc/26/23/58/212262358.db2.gz ADNNHQYDFXVGTM-UHFFFAOYSA-N 0 0 399.541 5.062 50 0 GKAARN CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1 ZINC000002052496 212262390 /nfs/dbraw/zinc/26/23/90/212262390.db2.gz BGVBKHVKOAFURI-HSZRJFAPSA-N 0 0 390.508 5.361 50 0 GKAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C\C(Cl)=C\c1ccccc1 ZINC000001950425 212260661 /nfs/dbraw/zinc/26/06/61/212260661.db2.gz MYALUISTVYJYIQ-XEQUUTRQSA-N 0 0 378.642 5.461 50 0 GKAARN CCc1ccc(Oc2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1 ZINC000001915208 212260392 /nfs/dbraw/zinc/26/03/92/212260392.db2.gz XCPOPXWJSSDOEO-UHFFFAOYSA-N 0 0 386.447 6.035 50 0 GKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(C)c(C)c3)c2c1 ZINC000001892598 212258272 /nfs/dbraw/zinc/25/82/72/212258272.db2.gz FOBMPDHAKOVYAH-SOYKGTTHSA-N 0 0 383.491 6.520 50 0 GKAARN Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(-n2nc3ccccc3n2)c1 ZINC000001859120 212258404 /nfs/dbraw/zinc/25/84/04/212258404.db2.gz NCKOSPKXLBIQKR-UHFFFAOYSA-N 0 0 385.467 5.246 50 0 GKAARN FC(F)(F)c1cc(Nc2ncnc3sc4c(c32)CCCC4)ccc1Cl ZINC000001896067 212258229 /nfs/dbraw/zinc/25/82/29/212258229.db2.gz UVQVJIGKONITKK-UHFFFAOYSA-N 0 0 383.826 5.986 50 0 GKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 ZINC000001823538 212257820 /nfs/dbraw/zinc/25/78/20/212257820.db2.gz JOJMXITZQJTOHL-UHFFFAOYSA-N 0 0 384.570 5.527 50 0 GKAARN CC(C)(C)c1ccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 ZINC000001797632 212257659 /nfs/dbraw/zinc/25/76/59/212257659.db2.gz HKUNILASXLNZPQ-UHFFFAOYSA-N 0 0 396.914 6.202 50 0 GKAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccccc4)cc3n2)cc1 ZINC000001805132 212257449 /nfs/dbraw/zinc/25/74/49/212257449.db2.gz QJVORHPTFLHRGS-UHFFFAOYSA-N 0 0 398.510 5.253 50 0 GKAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3ccc(F)cc3)cc2o1 ZINC000001799829 212257361 /nfs/dbraw/zinc/25/73/61/212257361.db2.gz GEDJJYADBOMTLP-UHFFFAOYSA-N 0 0 380.802 5.832 50 0 GKAARN Cc1cc(C(=O)CSc2ncnc3sc4c(c32)CCCC4)cc(C)c1C ZINC000001801762 212257076 /nfs/dbraw/zinc/25/70/76/212257076.db2.gz XGSYYOWLNAUPJT-UHFFFAOYSA-N 0 0 382.554 5.470 50 0 GKAARN Cc1cccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C ZINC000001786426 212257155 /nfs/dbraw/zinc/25/71/55/212257155.db2.gz LKYZNOUFPYJZRY-UHFFFAOYSA-N 0 0 385.813 5.773 50 0 GKAARN Cc1ccc(-n2sc3c(c2=S)-c2cccc(C)c2NC3(C)C)cc1Cl ZINC000001826702 212256899 /nfs/dbraw/zinc/25/68/99/212256899.db2.gz JGGGZBDFVKCBKK-UHFFFAOYSA-N 0 0 386.973 6.866 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(C)c(C)c3)c3ccccc3o2)cc1OC ZINC000001833388 212256620 /nfs/dbraw/zinc/25/66/20/212256620.db2.gz GTDICYQGKYCSOH-YYADALCUSA-N 0 0 385.463 5.966 50 0 GKAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000001773523 212255853 /nfs/dbraw/zinc/25/58/53/212255853.db2.gz LFVMPCLAWCQWRB-UHFFFAOYSA-N 0 0 394.540 5.905 50 0 GKAARN CC(C)Oc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000001775688 212255865 /nfs/dbraw/zinc/25/58/65/212255865.db2.gz IAMXNBYXCQORMW-UHFFFAOYSA-N 0 0 382.287 5.578 50 0 GKAARN Cc1cccc(COc2ccc3c(c2)occ(-c2ccccc2Cl)c3=O)c1 ZINC000001770851 212255564 /nfs/dbraw/zinc/25/55/64/212255564.db2.gz BLFAURHPBMDCBK-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 biogenic GKAARN O=C(/C=C/c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000001750960 212255210 /nfs/dbraw/zinc/25/52/10/212255210.db2.gz HOSQUYRYXSQLKW-MDZDMXLPSA-N 0 0 389.307 5.693 50 0 GKAARN C(CCC=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 ZINC000001691149 212254212 /nfs/dbraw/zinc/25/42/12/212254212.db2.gz ZDRQQHSMMIOMGI-UHFFFAOYSA-N 0 0 386.538 8.030 50 0 GKAARN CCOC(=O)c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000002049085 212262248 /nfs/dbraw/zinc/26/22/48/212262248.db2.gz MRAJAGJSDSFDKP-QHCPKHFHSA-N 0 0 387.479 5.598 50 0 GKAARN CCCCOC(=O)c1ccc(NC(=O)OCc2ccc(C(C)(C)C)cc2)cc1 ZINC000002050963 212261838 /nfs/dbraw/zinc/26/18/38/212261838.db2.gz ACTZWVANXMSNPH-UHFFFAOYSA-N 0 0 383.488 5.690 50 0 GKAARN c1cc(C2Sc3ccccc3S2)sc1C1Sc2ccccc2S1 ZINC000002051089 212261627 /nfs/dbraw/zinc/26/16/27/212261627.db2.gz UZBDTXFYUALLJG-UHFFFAOYSA-N 0 0 388.629 7.541 50 0 GKAARN C(\c1ccccc1)=C1\SCS/C(=C\c2ccccc2)C1=C1SCCS1 ZINC000002051143 212261246 /nfs/dbraw/zinc/26/12/46/212261246.db2.gz WVAWYXGAAIBZOH-SXQSXHJWSA-N 0 0 398.643 7.198 50 0 GKAARN Clc1ccc(SC(Sc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001575401 212251055 /nfs/dbraw/zinc/25/10/55/212251055.db2.gz RBGYZNNNWNDJLA-UHFFFAOYSA-N 0 0 377.361 7.577 50 0 GKAARN c1ccc(CSC(SCc2ccccc2)SCc2ccccc2)cc1 ZINC000001600592 212250534 /nfs/dbraw/zinc/25/05/34/212250534.db2.gz GTUTUZVJRAZDOO-UHFFFAOYSA-N 0 0 382.619 7.070 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1ccccc1Cl ZINC000001515642 212249015 /nfs/dbraw/zinc/24/90/15/212249015.db2.gz LUOFCNPPNQTVPG-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN Brc1ccc(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)cc1 ZINC000001506378 212247465 /nfs/dbraw/zinc/24/74/65/212247465.db2.gz ZJUVFQSTBRPSAF-FQEVSTJZSA-N 0 0 377.285 6.127 50 0 GKAARN Cc1ccc(OCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 ZINC000001473087 212247224 /nfs/dbraw/zinc/24/72/24/212247224.db2.gz CNZJCOAESCUTGZ-UHFFFAOYSA-N 0 0 392.886 5.656 50 0 GKAARN O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccc(Cl)c1 ZINC000001505744 212247284 /nfs/dbraw/zinc/24/72/84/212247284.db2.gz QOWAKQGXMRCQOM-UHFFFAOYSA-N 0 0 397.261 5.978 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000253498985 209221660 /nfs/dbraw/zinc/22/16/60/209221660.db2.gz BGSWILYBWIQYKQ-DKFDVFDGSA-N 0 0 394.555 5.536 50 0 biogenic GKAARN CC(=O)O[C@@H]1CCCC2=CC[C@H]3[C@H]4C[C@@H](C)[C@](C)(C(C)=O)[C@]4(C)CC[C@@H]3[C@@]21C ZINC000253502285 209221466 /nfs/dbraw/zinc/22/14/66/209221466.db2.gz BMCREEPJVHSYOD-BOSIKUOJSA-N 0 0 386.576 5.722 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000252693166 209217715 /nfs/dbraw/zinc/21/77/15/209217715.db2.gz BGSWILYBWIQYKQ-WRRVINCMSA-N 0 0 394.555 5.536 50 0 biogenic GKAARN Cc1ccccc1-c1cc2c(SCc3ccc(F)cc3Cl)nccn2n1 ZINC000057510889 209213160 /nfs/dbraw/zinc/21/31/60/209213160.db2.gz CRUURYXOXQISAY-UHFFFAOYSA-N 0 0 383.879 5.790 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000001463130 212246119 /nfs/dbraw/zinc/24/61/19/212246119.db2.gz UOYVLQQJPUHSBW-NRFANRHFSA-N 0 0 381.401 6.092 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1Br)c1ccccn1 ZINC000001448667 212245696 /nfs/dbraw/zinc/24/56/96/212245696.db2.gz DLIUNOVLTBSJTC-OAQYLSRUSA-N 0 0 392.300 5.835 50 0 GKAARN CCc1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000001438191 212245290 /nfs/dbraw/zinc/24/52/90/212245290.db2.gz LBPOLXJADFVVDP-QGZVFWFLSA-N 0 0 380.285 5.639 50 0 GKAARN O=C(CCNc1ccc(C(=O)NC2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000001431268 212245242 /nfs/dbraw/zinc/24/52/42/212245242.db2.gz ZEBVZKADBXIOIM-UHFFFAOYSA-N 0 0 390.483 5.180 50 0 GKAARN CCc1ccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000001438192 212245255 /nfs/dbraw/zinc/24/52/55/212245255.db2.gz LBPOLXJADFVVDP-KRWDZBQOSA-N 0 0 380.285 5.639 50 0 GKAARN CC1=C(O[C@H](C)C(=O)c2ccc(Cl)cc2)C(C)(C)[C@H](c2ccccc2)OC1=O ZINC000001438464 212245090 /nfs/dbraw/zinc/24/50/90/212245090.db2.gz ZHEPZPAGKCQMNN-VFNWGFHPSA-N 0 0 398.886 5.526 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cccc(O)c3)C[C@H]21 ZINC000010216073 212239030 /nfs/dbraw/zinc/23/90/30/212239030.db2.gz WTAVLZUJYRMFQY-GCJKJVERSA-N 0 0 392.480 5.095 50 0 GKAARN COc1ccc(SCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000010219566 212238230 /nfs/dbraw/zinc/23/82/30/212238230.db2.gz UYFCSGDGFBBWID-UHFFFAOYSA-N 0 0 388.489 5.079 50 0 GKAARN Cc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3cccs3)nc2c1C ZINC000010060664 212237687 /nfs/dbraw/zinc/23/76/87/212237687.db2.gz GNLOAYYNUBPOHU-UHFFFAOYSA-N 0 0 393.537 5.146 50 0 GKAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccccc1Cl ZINC000001416035 212243617 /nfs/dbraw/zinc/24/36/17/212243617.db2.gz ODXNZDDQUWUXCV-CXUHLZMHSA-N 0 0 391.901 5.257 50 0 GKAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 ZINC000001413936 212243635 /nfs/dbraw/zinc/24/36/35/212243635.db2.gz AEGALEHQRQTTAN-UHFFFAOYSA-N 0 0 386.451 5.681 50 0 GKAARN CCc1cc2cc(C(=O)NCCc3c(C)[nH]c4ccc(C)cc43)sc2s1 ZINC000001422204 212243040 /nfs/dbraw/zinc/24/30/40/212243040.db2.gz VJCYXAKWHABUDC-UHFFFAOYSA-N 0 0 382.554 5.596 50 0 GKAARN CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)nc2c1 ZINC000001413922 212243119 /nfs/dbraw/zinc/24/31/19/212243119.db2.gz XFXLFGMTGJBZKG-UHFFFAOYSA-N 0 0 386.451 5.383 50 0 GKAARN Cc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000001416749 212242935 /nfs/dbraw/zinc/24/29/35/212242935.db2.gz SEJJZAZRQMGVDX-CXUHLZMHSA-N 0 0 378.280 5.538 50 0 GKAARN Cc1nc(C(F)(F)F)c(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000001396831 212242465 /nfs/dbraw/zinc/24/24/65/212242465.db2.gz FKZITAMROLWNRB-LBPRGKRZSA-N 0 0 376.831 5.251 50 0 GKAARN COc1ccc(-c2cn(Cc3ccc(C)cc3)nc2-c2ccc(OC)cc2)cc1 ZINC000001393525 212241057 /nfs/dbraw/zinc/24/10/57/212241057.db2.gz SMZOCXKLFOHWQW-UHFFFAOYSA-N 0 0 384.479 5.591 50 0 GKAARN Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1 ZINC000001386175 212240907 /nfs/dbraw/zinc/24/09/07/212240907.db2.gz JKDSPDWKCOGCOY-UHFFFAOYSA-N 0 0 385.414 5.990 50 0 GKAARN CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1 ZINC000001296081 212234192 /nfs/dbraw/zinc/23/41/92/212234192.db2.gz FSQKFCVEZTZXQZ-FTJBHMTQSA-N 0 0 393.571 5.507 50 0 biogenic GKAARN Cc1nc(NC(=O)c2cccc3c(Cl)cccc23)ccc1Br ZINC000001265615 212233664 /nfs/dbraw/zinc/23/36/64/212233664.db2.gz RDMDFIXENHHNQS-UHFFFAOYSA-N 0 0 375.653 5.211 50 0 GKAARN COc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000001251932 212232530 /nfs/dbraw/zinc/23/25/30/212232530.db2.gz HEVHPZQKXQRGSB-UHFFFAOYSA-N 0 0 376.481 5.250 50 0 GKAARN O=C(c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 ZINC000001240054 212232587 /nfs/dbraw/zinc/23/25/87/212232587.db2.gz PMDDPPFFRBPZJA-GOSISDBHSA-N 0 0 395.256 5.034 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccc(F)cc1)Cc1ccccc1F ZINC000001240565 212232136 /nfs/dbraw/zinc/23/21/36/212232136.db2.gz KAUGENHSDSQEFI-FQEVSTJZSA-N 0 0 383.438 5.519 50 0 GKAARN O=C(Nc1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001225244 212231295 /nfs/dbraw/zinc/23/12/95/212231295.db2.gz KDSBZHUJTOUSRK-UHFFFAOYSA-N 0 0 386.234 5.465 50 0 GKAARN Cc1ccc(N[P@](C)(=O)O[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1C ZINC000001231929 212231362 /nfs/dbraw/zinc/23/13/62/212231362.db2.gz NKZGWURQRRSGOV-IVCQMTBJSA-N 0 0 391.757 6.512 50 0 GKAARN Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 ZINC000001217283 212230979 /nfs/dbraw/zinc/23/09/79/212230979.db2.gz GXEHDFSPMDBJRU-UHFFFAOYSA-N 0 0 391.323 5.530 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1C ZINC000001220015 212231078 /nfs/dbraw/zinc/23/10/78/212231078.db2.gz VMLSKYDUKKEYQI-UHFFFAOYSA-N 0 0 378.859 5.461 50 0 GKAARN COc1ccc(C(=O)c2cc3c(s2)c2ccccc2c(OC(C)=O)c3C)cc1 ZINC000001225249 212230445 /nfs/dbraw/zinc/23/04/45/212230445.db2.gz JFLOXIATQQVTNF-UHFFFAOYSA-N 0 0 390.460 5.528 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001208342 212230067 /nfs/dbraw/zinc/23/00/67/212230067.db2.gz ZYENMHNNXGJLEN-UHFFFAOYSA-N 0 0 376.637 5.615 50 0 GKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccc2ccccc21 ZINC000001209919 212229855 /nfs/dbraw/zinc/22/98/55/212229855.db2.gz FPPUKUDOEJNHFQ-UHFFFAOYSA-N 0 0 380.403 5.606 50 0 GKAARN COc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1Cl ZINC000001206701 212229716 /nfs/dbraw/zinc/22/97/16/212229716.db2.gz DKVAVTTXOMXNOW-UHFFFAOYSA-N 0 0 396.805 5.548 50 0 GKAARN CCOC(=O)Nc1cc(-c2cccs2)nc2ccc(Br)cc21 ZINC000001209423 212229062 /nfs/dbraw/zinc/22/90/62/212229062.db2.gz ICEUWFRMQUMYAW-UHFFFAOYSA-N 0 0 377.263 5.294 50 0 GKAARN Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccco1 ZINC000001205109 212228591 /nfs/dbraw/zinc/22/85/91/212228591.db2.gz LOJKIFDJWOAJAE-UHFFFAOYSA-N 0 0 389.238 5.399 50 0 GKAARN COC(=O)[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)c1ccccc1 ZINC000001198999 212228648 /nfs/dbraw/zinc/22/86/48/212228648.db2.gz HKRLJTSVUMUEAR-RPBOFIJWSA-N 0 0 396.486 5.680 50 0 GKAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C)c4C)sc3n2)cc1 ZINC000010069214 212236906 /nfs/dbraw/zinc/23/69/06/212236906.db2.gz HVPLFAAVVWEKNF-UHFFFAOYSA-N 0 0 391.496 5.249 50 0 GKAARN CCC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OC(=O)CC)[C@@]3(C)CC[C@H]21 ZINC000003875781 209190467 /nfs/dbraw/zinc/19/04/67/209190467.db2.gz JQIYNMYZKRGDFK-RUFWAXPRSA-N 0 0 384.516 5.180 50 0 biogenic,in-man GKAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001185043 212227451 /nfs/dbraw/zinc/22/74/51/212227451.db2.gz YVSKXYKJBHXQAH-UHFFFAOYSA-N 0 0 399.277 5.427 50 0 GKAARN COc1ccccc1Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000001183745 212227197 /nfs/dbraw/zinc/22/71/97/212227197.db2.gz DWEFOKSLGFYSNA-UHFFFAOYSA-N 0 0 384.844 5.322 50 0 GKAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccccc2)CCCC3)cc1 ZINC000001188674 212227060 /nfs/dbraw/zinc/22/70/60/212227060.db2.gz WPMCWJYKAUXMGW-UHFFFAOYSA-N 0 0 390.508 5.440 50 0 GKAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000001191689 212227080 /nfs/dbraw/zinc/22/70/80/212227080.db2.gz VIUSTGIFDKVVTK-UHFFFAOYSA-N 0 0 381.435 5.113 50 0 GKAARN CC(=O)N1[C@@H](c2cnc(-c3ccccc3)c(C)c2)CC=C(C)[C@@H]1c1ccccc1 ZINC000001187292 212226523 /nfs/dbraw/zinc/22/65/23/212226523.db2.gz GYHREDZDIXWCRT-AOYPEHQESA-N 0 0 382.507 6.038 50 0 GKAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000001185002 212226539 /nfs/dbraw/zinc/22/65/39/212226539.db2.gz AEGVAKGDCJRJJX-UHFFFAOYSA-N 0 0 380.806 5.469 50 0 aggregator GKAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000001175835 212225732 /nfs/dbraw/zinc/22/57/32/212225732.db2.gz SDJGGJMVXAUFIJ-SDNWHVSQSA-N 0 0 391.902 5.218 50 0 GKAARN Cc1cc2c(cc1C)N(C(=O)CSc1nc3ccccc3[nH]1)C(C)(C)C[C@H]2C ZINC000001174549 212225406 /nfs/dbraw/zinc/22/54/06/212225406.db2.gz HFYIQGMCINFUHA-MRXNPFEDSA-N 0 0 393.556 5.591 50 0 GKAARN CO[C@H](C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccccc1 ZINC000001174512 212225439 /nfs/dbraw/zinc/22/54/39/212225439.db2.gz ITOVYDZBXIMYKK-NRFANRHFSA-N 0 0 388.492 5.598 50 0 GKAARN CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3cccc(Cl)c3)cc21 ZINC000001127627 212220045 /nfs/dbraw/zinc/22/00/45/212220045.db2.gz LTZTXHGEKJVFML-UHFFFAOYSA-N 0 0 390.870 5.376 50 0 GKAARN O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001172366 212225310 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CNC(=O)c1cccc(N[C@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000152794810 212160766 /nfs/dbraw/zinc/16/07/66/212160766.db2.gz ASSQCXSUVZQHGW-LLVKDONJSA-N 0 0 390.270 5.181 50 0 GKAARN O=C(/C=C\c1nc2ccccc2o1)Nc1ccccc1Oc1ccccc1Cl ZINC000096793931 212155815 /nfs/dbraw/zinc/15/58/15/212155815.db2.gz IYUAMNVPWSNUDS-YPKPFQOOSA-N 0 0 390.826 5.925 50 0 GKAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096565276 212155845 /nfs/dbraw/zinc/15/58/45/212155845.db2.gz IAYIYWZKVQKJNL-QBFSEMIESA-N 0 0 380.447 5.423 50 0 GKAARN CCCOc1ccc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1OC ZINC000096920090 212154952 /nfs/dbraw/zinc/15/49/52/212154952.db2.gz DZIGKHMCWWNXJY-NTEUORMPSA-N 0 0 376.865 5.332 50 0 GKAARN Fc1cc(Br)ccc1/C=C(/Cl)c1nc(-c2ccsc2)no1 ZINC000096931741 212154970 /nfs/dbraw/zinc/15/49/70/212154970.db2.gz HAPNVFIPEDXZBI-VZUCSPMQSA-N 0 0 385.645 5.437 50 0 GKAARN O=C(OC[C@@H]1CCCCO1)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC000096797813 212155114 /nfs/dbraw/zinc/15/51/14/212155114.db2.gz PFZJFHAERQKJFC-BROZXCPCSA-N 0 0 389.451 5.041 50 0 GKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2ccc(Cl)cc21 ZINC000011869913 212149513 /nfs/dbraw/zinc/14/95/13/212149513.db2.gz VTDOETHDBCGDBL-UHFFFAOYSA-N 0 0 389.632 5.931 50 0 GKAARN Cc1c2ccc(NC(=O)C3CCCCC3)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729341 212149528 /nfs/dbraw/zinc/14/95/28/212149528.db2.gz SHOZISKEYOMFPV-UHFFFAOYSA-N 0 0 375.468 5.799 50 0 GKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)C4CCCCC4)ccc3c2C)c1 ZINC000015729352 212149317 /nfs/dbraw/zinc/14/93/17/212149317.db2.gz WRPKEJXVIBIBLT-UHFFFAOYSA-N 0 0 391.467 5.500 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1Cl ZINC000009660129 212148722 /nfs/dbraw/zinc/14/87/22/212148722.db2.gz FYSDULAUGOEOIE-UHFFFAOYSA-N 0 0 393.801 5.505 50 0 GKAARN CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4)cc3o2)cc1 ZINC000009660293 212148559 /nfs/dbraw/zinc/14/85/59/212148559.db2.gz YVKWIFGMUPYJLY-UHFFFAOYSA-N 0 0 385.419 5.111 50 0 biogenic GKAARN Oc1cc(OCc2ccccc2F)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000008996395 212148293 /nfs/dbraw/zinc/14/82/93/212148293.db2.gz LFADQPVQTFDSJU-UHFFFAOYSA-N 0 0 394.833 5.821 50 0 GKAARN Cc1noc(-c2ccc(OCc3cccc(Cl)c3)cc2O)c1-c1ccccc1 ZINC000005452125 212147530 /nfs/dbraw/zinc/14/75/30/212147530.db2.gz SHIGRSFAKJHQRU-UHFFFAOYSA-N 0 0 391.854 6.255 50 0 GKAARN COc1cccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1 ZINC000002126305 212144429 /nfs/dbraw/zinc/14/44/29/212144429.db2.gz TZNNHWBNICNBFG-UHFFFAOYSA-N 0 0 392.838 5.701 50 0 biogenic GKAARN Cc1oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2c(=O)c1-c1ccccc1 ZINC000001447967 212143824 /nfs/dbraw/zinc/14/38/24/212143824.db2.gz HMGOCACODZGZBK-UHFFFAOYSA-N 0 0 390.822 5.641 50 0 GKAARN CCOC(=O)c1c(C)oc2ccc(OCc3c(Cl)cccc3Cl)cc21 ZINC000000639014 212142849 /nfs/dbraw/zinc/14/28/49/212142849.db2.gz AMAWEFCPXINBJS-UHFFFAOYSA-N 0 0 379.239 5.804 50 0 GKAARN CCOC(=O)c1c(C)oc2ccc(OCc3cccc(Br)c3)cc21 ZINC000000623890 212142933 /nfs/dbraw/zinc/14/29/33/212142933.db2.gz XBSKPWSXKFJSEZ-UHFFFAOYSA-N 0 0 389.245 5.259 50 0 GKAARN COc1cccc(COc2ccc3c(c2)occ(-c2ccccc2OC)c3=O)c1 ZINC000001131715 212142543 /nfs/dbraw/zinc/14/25/43/212142543.db2.gz HXDJKVWBPWQRCL-UHFFFAOYSA-N 0 0 388.419 5.056 50 0 biogenic GKAARN COc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000000786370 212142244 /nfs/dbraw/zinc/14/22/44/212142244.db2.gz RKJRANQNAKBIFU-UHFFFAOYSA-N 0 0 386.451 5.437 50 0 GKAARN CCSc1ccccc1NC(=O)c1oc2cc(Br)ccc2c1C ZINC000334162110 212108238 /nfs/dbraw/zinc/10/82/38/212108238.db2.gz JQWMDRUYNPJAHJ-UHFFFAOYSA-N 0 0 390.302 5.868 50 0 GKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000334163362 212109144 /nfs/dbraw/zinc/10/91/44/212109144.db2.gz QCCOVLNHOHCWOK-QHCPKHFHSA-N 0 0 398.481 6.146 50 0 GKAARN O=C(Nc1cccc2ccccc21)Oc1ccc(Cl)cc1Cc1ccccc1 ZINC000001732648 212101509 /nfs/dbraw/zinc/10/15/09/212101509.db2.gz YKIXUVMKMUUEPX-UHFFFAOYSA-N 0 0 387.866 6.695 50 0 GKAARN CCCCc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004541830 212079417 /nfs/dbraw/zinc/07/94/17/212079417.db2.gz RTBBSAAMRBIZBC-UHFFFAOYSA-N 0 0 381.903 6.514 50 0 GKAARN c1[nH]c2ccccc2c1CCn1c(-c2ccccc2)cs/c1=N/c1ccccc1 ZINC000101379505 212068342 /nfs/dbraw/zinc/06/83/42/212068342.db2.gz OVZBBFDGUPLZGK-IMVLJIQESA-N 0 0 395.531 6.173 50 0 GKAARN C(=C/[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1)\c1ccco1 ZINC000005799813 212066383 /nfs/dbraw/zinc/06/63/83/212066383.db2.gz IXWAZGOJIHQQBA-ZAGXWJKOSA-N 0 0 379.459 6.053 50 0 GKAARN Cc1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)CCCCC4)n2)cc1 ZINC000005274961 212065580 /nfs/dbraw/zinc/06/55/80/212065580.db2.gz OJBCCOJIBCPHEN-UHFFFAOYSA-N 0 0 377.435 5.592 50 0 GKAARN Cc1ccc(NC(=S)NCCn2c3ccccc3c3c2nc(C)cc3C)cc1 ZINC000003765455 212063564 /nfs/dbraw/zinc/06/35/64/212063564.db2.gz SJUXHUZJQDETIE-UHFFFAOYSA-N 0 0 388.540 5.101 50 0 GKAARN Fc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000001415762 212061444 /nfs/dbraw/zinc/06/14/44/212061444.db2.gz HASNURZFMHKFKR-UHFFFAOYSA-N 0 0 389.377 5.821 50 0 GKAARN CC(=O)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(C)cc2)cs1 ZINC000001405031 212061483 /nfs/dbraw/zinc/06/14/83/212061483.db2.gz DRNIYCWFEYTALN-UHFFFAOYSA-N 0 0 392.459 5.069 50 0 GKAARN FC(F)(F)c1cc(-c2ccco2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000001415742 212061299 /nfs/dbraw/zinc/06/12/99/212061299.db2.gz QVBPLQJGEARFBY-UHFFFAOYSA-N 0 0 395.793 5.928 50 0 GKAARN COc1ccc(C(=O)NCC[C@@H]2[C@@H](c3c(C)[nH]c4ccccc43)C2(C)C)cc1 ZINC000001404551 212060250 /nfs/dbraw/zinc/06/02/50/212060250.db2.gz NRBPFYQMYUEXMM-KNQAVFIVSA-N 0 0 376.500 5.045 50 0 GKAARN Nc1c2cc(-c3ccccc3)oc2nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000253495400 212059402 /nfs/dbraw/zinc/05/94/02/212059402.db2.gz CFYYCDOQNAJWGX-OAHLLOKOSA-N 0 0 388.854 5.643 50 0 GKAARN Cc1cccc2cc(CN(C(=O)C(C)C)C3CC3)c(-c3cccc(Cl)c3)nc12 ZINC000299799657 212041438 /nfs/dbraw/zinc/04/14/38/212041438.db2.gz UJXOZESNFASLFL-UHFFFAOYSA-N 0 0 392.930 6.011 50 0 GKAARN Cc1cccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2ccco2)C2CC2)c1 ZINC000299797038 212038835 /nfs/dbraw/zinc/03/88/35/212038835.db2.gz PTPDWQBNNJKGQK-UHFFFAOYSA-N 0 0 396.490 5.916 50 0 GKAARN COc1ccc(CN(C(=O)C2CC2)C2CCCC2)cc1OCc1cccs1 ZINC000299781393 212037245 /nfs/dbraw/zinc/03/72/45/212037245.db2.gz LGVNFLAGTOQXPU-UHFFFAOYSA-N 0 0 385.529 5.017 50 0 GKAARN Cc1cc(Br)c(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000004795854 212030959 /nfs/dbraw/zinc/03/09/59/212030959.db2.gz GZIUXFSKTGQVIQ-UHFFFAOYSA-N 0 0 389.076 5.984 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350657 212029632 /nfs/dbraw/zinc/02/96/32/212029632.db2.gz YZAKUXKVXMKKGC-GFJBVHNMSA-N 0 0 386.664 7.677 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H](O)CCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257348511 212030208 /nfs/dbraw/zinc/03/02/08/212030208.db2.gz GMYIQXIETNKRRM-JLLCDCETSA-N 0 0 388.680 7.469 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257347998 212030013 /nfs/dbraw/zinc/03/00/13/212030013.db2.gz ALAMGHJSLWPZHS-IOVSUQBWSA-N 0 0 382.676 8.440 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000257349725 212030146 /nfs/dbraw/zinc/03/01/46/212030146.db2.gz QOXPZVASXWSKKU-TVBXWGIPSA-N 0 0 398.675 7.411 50 0 GKAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1c(Cl)cccc1Cl ZINC000000641017 203844873 /nfs/dbraw/zinc/84/48/73/203844873.db2.gz TVZYJDGRSCJACZ-UHFFFAOYSA-N 0 0 385.250 5.868 50 0 GKAARN CCn1cc(CN(C)C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)n1 ZINC000000649037 203845083 /nfs/dbraw/zinc/84/50/83/203845083.db2.gz USUZJUQVWHFNOZ-UHFFFAOYSA-N 0 0 382.316 5.005 50 0 GKAARN Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000000657330 203845393 /nfs/dbraw/zinc/84/53/93/203845393.db2.gz QJBUQOJXOYYGHE-UHFFFAOYSA-N 0 0 380.285 5.528 50 0 GKAARN O=C(Nc1ccccc1F)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000659171 203845725 /nfs/dbraw/zinc/84/57/25/203845725.db2.gz QQNFRNADRGKHPF-UHFFFAOYSA-N 0 0 380.202 5.557 50 0 GKAARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc(-c2cccs2)cs1 ZINC000000652882 203846137 /nfs/dbraw/zinc/84/61/37/203846137.db2.gz XBSLOWLSEIILOJ-UHFFFAOYSA-N 0 0 380.277 5.952 50 0 GKAARN CC(C)Oc1ccc([C@@H](CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000001295723 203821857 /nfs/dbraw/zinc/82/18/57/203821857.db2.gz TYLTWIVYGAQIHR-GMAHTHKFSA-N 0 0 395.543 5.070 50 0 biogenic GKAARN CCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc21 ZINC000000639334 203822553 /nfs/dbraw/zinc/82/25/53/203822553.db2.gz PIIIYFGSPJOCLP-UHFFFAOYSA-N 0 0 379.239 5.804 50 0 GKAARN O=c1c2ccc(OCc3cccc(Cl)c3)cc2occ1-c1ccc(Cl)cc1 ZINC000002345008 203823797 /nfs/dbraw/zinc/82/37/97/203823797.db2.gz ZQXBUDJERNOUMN-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 GKAARN COc1cccc2cc(-c3cc(=O)oc4ccc(OCC=C(C)C)cc43)oc21 ZINC000004586260 203825896 /nfs/dbraw/zinc/82/58/96/203825896.db2.gz VDJQXNNEJQWQRB-UHFFFAOYSA-N 0 0 376.408 5.560 50 0 biogenic GKAARN Cc1c2cc(OC(=O)c3cccs3)ccc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000004340729 203825936 /nfs/dbraw/zinc/82/59/36/203825936.db2.gz GQOLNBSBECUYJH-UHFFFAOYSA-N 0 0 396.851 5.703 50 0 GKAARN Cc1cc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2cc1Cl ZINC000011869710 203826716 /nfs/dbraw/zinc/82/67/16/203826716.db2.gz FJZWSJKBUNSHER-UHFFFAOYSA-N 0 0 389.632 5.931 50 0 GKAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccccc2C)cc1 ZINC000011866440 203827708 /nfs/dbraw/zinc/82/77/08/203827708.db2.gz PQOMTGFNMISCFF-UHFFFAOYSA-N 0 0 387.435 5.678 50 0 GKAARN O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(Br)cc3)cc2o1 ZINC000001165155 203892510 /nfs/dbraw/zinc/89/25/10/203892510.db2.gz OYQVJRKBTAURET-UHFFFAOYSA-N 0 0 399.162 5.153 50 0 GKAARN Cc1cccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)c1 ZINC000001172782 203892701 /nfs/dbraw/zinc/89/27/01/203892701.db2.gz MRFGYUNRXARATC-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN Cc1c(NC(=O)c2ccc(Br)o2)cccc1-c1nc2ccccc2o1 ZINC000001167674 203893222 /nfs/dbraw/zinc/89/32/22/203893222.db2.gz OMYOTJFITVMPPJ-UHFFFAOYSA-N 0 0 397.228 5.411 50 0 GKAARN O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000670893 203847132 /nfs/dbraw/zinc/84/71/32/203847132.db2.gz FCKBGTBDPUEGQU-UHFFFAOYSA-N 0 0 396.446 5.110 50 0 GKAARN CC(C)COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000000677323 203848289 /nfs/dbraw/zinc/84/82/89/203848289.db2.gz JGDJWEJLGNCCFR-UHFFFAOYSA-N 0 0 386.451 5.782 50 0 GKAARN O=C(Nc1ccccc1I)c1ccc(-c2ccccc2)cc1 ZINC000000671601 203848386 /nfs/dbraw/zinc/84/83/86/203848386.db2.gz LBLBKXOZWDVWJW-UHFFFAOYSA-N 0 0 399.231 5.211 50 0 GKAARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc(Br)cc1 ZINC000000704976 203849400 /nfs/dbraw/zinc/84/94/00/203849400.db2.gz VDOJJHRXJIKTBJ-UHFFFAOYSA-N 0 0 392.256 5.016 50 0 GKAARN CN(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1 ZINC000000716955 203850325 /nfs/dbraw/zinc/85/03/25/203850325.db2.gz DBSNPWNMZJVJGU-OAQYLSRUSA-N 0 0 377.875 5.177 50 0 GKAARN Cc1ccc(NC(=O)C2c3ccccc3-c3ccccc32)cc1Br ZINC000000762973 203851311 /nfs/dbraw/zinc/85/13/11/203851311.db2.gz DEFCKQMLFBHJPN-UHFFFAOYSA-N 0 0 378.269 5.509 50 0 GKAARN CCCC(=O)Oc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000000804890 203855252 /nfs/dbraw/zinc/85/52/52/203855252.db2.gz RNRXSUIBDROTTO-GOSISDBHSA-N 0 0 389.451 5.028 50 0 GKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000851333 203859382 /nfs/dbraw/zinc/85/93/82/203859382.db2.gz ZBYBTAOQJQRRNB-UFBFGSQYSA-N 0 0 386.628 5.889 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000854693 203859826 /nfs/dbraw/zinc/85/98/26/203859826.db2.gz MQRAJTREHDZRJN-UHFFFAOYSA-N 0 0 381.646 5.863 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccncc2)cc1 ZINC000000897312 203863263 /nfs/dbraw/zinc/86/32/63/203863263.db2.gz UPNZDSIREASDRI-UHFFFAOYSA-N 0 0 392.915 5.583 50 0 GKAARN Cc1ccc(C)c(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000000990299 203870458 /nfs/dbraw/zinc/87/04/58/203870458.db2.gz KPHHHMVHTPWGJE-UHFFFAOYSA-N 0 0 389.065 5.718 50 0 GKAARN COc1ccc(-n2cc3c(n2)c(C)nnc3-c2ccc(-c3ccccc3)cc2)cc1 ZINC000000988029 203870491 /nfs/dbraw/zinc/87/04/91/203870491.db2.gz SIQURXBDFQRPHT-UHFFFAOYSA-N 0 0 392.462 5.467 50 0 GKAARN CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccc(C)cc3)cc21 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Cc1nc(-c2nnc(SCc3ccccc3)n2-c2cccc(F)c2)cs1 ZINC000001047543 203876511 /nfs/dbraw/zinc/87/65/11/203876511.db2.gz HCZCUEMWHWOZEH-UHFFFAOYSA-N 0 0 382.489 5.131 50 0 GKAARN CCC[C@@H](C)c1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 ZINC000001049197 203876594 /nfs/dbraw/zinc/87/65/94/203876594.db2.gz RKKRZXHGBQENAJ-MRXNPFEDSA-N 0 0 379.529 5.602 50 0 GKAARN Cc1ccc(-c2noc(-c3ccc(Oc4cc(Cl)cc(Cl)c4)o3)n2)cc1 ZINC000001047047 203877524 /nfs/dbraw/zinc/87/75/24/203877524.db2.gz MRQHBLRCSKOYCX-UHFFFAOYSA-N 0 0 387.222 6.404 50 0 GKAARN O=C(Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1)c1cccc(F)c1 ZINC000001059683 203877690 /nfs/dbraw/zinc/87/76/90/203877690.db2.gz FINCUUPUMYUWAF-UHFFFAOYSA-N 0 0 382.394 6.039 50 0 GKAARN Clc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)c(Cl)c1 ZINC000001072871 203880912 /nfs/dbraw/zinc/88/09/12/203880912.db2.gz AKAXJJLKYHBASI-UHFFFAOYSA-N 0 0 383.278 5.970 50 0 GKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCC2 ZINC000001218963 203897545 /nfs/dbraw/zinc/89/75/45/203897545.db2.gz 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/nfs/dbraw/zinc/88/92/62/203889262.db2.gz GIKLYGRTIRAQIN-JTQLQIEISA-N 0 0 379.641 5.293 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)CSc1nc3ccccc3o1)C(C)(C)C=C2C ZINC000001154133 203889774 /nfs/dbraw/zinc/88/97/74/203889774.db2.gz SBDLFUUWMBBFHX-UHFFFAOYSA-N 0 0 378.497 5.457 50 0 GKAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(OCc2ccccc2)cc1 ZINC000001154777 203890167 /nfs/dbraw/zinc/89/01/67/203890167.db2.gz POOCNCCJXHYXAP-UHFFFAOYSA-N 0 0 379.459 5.770 50 0 GKAARN O=C(/C=C/c1ccco1)Nc1cccc2c(NC(=O)/C=C/c3ccco3)cccc12 ZINC000001156753 203891504 /nfs/dbraw/zinc/89/15/04/203891504.db2.gz JYTGVQZVOSGJNP-PHEQNACWSA-N 0 0 398.418 5.330 50 0 GKAARN O=C(CSc1nnc(-c2ccccc2)o1)n1c2ccccc2c2c1CCCC2 ZINC000001251723 203900113 /nfs/dbraw/zinc/90/01/13/203900113.db2.gz FUNXTUGTSDPBLF-UHFFFAOYSA-N 0 0 389.480 5.003 50 0 GKAARN O=C(c1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000001300800 203901438 /nfs/dbraw/zinc/90/14/38/203901438.db2.gz UGAWXMIDYZCYPF-GOSISDBHSA-N 0 0 385.250 5.578 50 0 GKAARN Cc1ccc(C(=O)[C@@H]2CN(c3ccccc3)C[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000001398597 203905970 /nfs/dbraw/zinc/90/59/70/203905970.db2.gz XWHXKKJAIPNYTI-DNQXCXABSA-N 0 0 383.491 5.122 50 0 GKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSCc2ccccc2)c1 ZINC000001428331 203907268 /nfs/dbraw/zinc/90/72/68/203907268.db2.gz MOYPDJHLQZOUMI-UHFFFAOYSA-N 0 0 390.508 5.119 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccc(Cl)c1 ZINC000001413976 203908198 /nfs/dbraw/zinc/90/81/98/203908198.db2.gz OCWUQFVJNHCROO-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000001439254 203908625 /nfs/dbraw/zinc/90/86/25/203908625.db2.gz RKSSRDSIVVFURB-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN CCCc1nc2c(sc(=S)n2-c2ccccc2)c(Sc2nccn2C)n1 ZINC000001445801 203910394 /nfs/dbraw/zinc/91/03/94/203910394.db2.gz CQWQGGIQYCUSKS-UHFFFAOYSA-N 0 0 399.570 5.049 50 0 GKAARN Clc1ccccc1CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000002453003 203945144 /nfs/dbraw/zinc/94/51/44/203945144.db2.gz LMLPOTPJSMSTDG-UHFFFAOYSA-N 0 0 381.888 5.532 50 0 GKAARN CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(Br)cc1 ZINC000001826918 203921517 /nfs/dbraw/zinc/92/15/17/203921517.db2.gz CVUBLGFQFBJJGO-UHFFFAOYSA-N 0 0 382.367 5.462 50 0 GKAARN Cc1c(OCc2c(F)cccc2Cl)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000001893498 203922750 /nfs/dbraw/zinc/92/27/50/203922750.db2.gz FJNIVGFHHQDOKB-UHFFFAOYSA-N 0 0 394.829 6.140 50 0 GKAARN O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1ccccc1Cl ZINC000002060239 203924523 /nfs/dbraw/zinc/92/45/23/203924523.db2.gz SKMHZVHJIGXNTA-UHFFFAOYSA-N 0 0 395.911 5.764 50 0 GKAARN Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)NC3CCCCC3)c2c1 ZINC000002079785 203925923 /nfs/dbraw/zinc/92/59/23/203925923.db2.gz ZBWKMFYZSPCJIM-UHFFFAOYSA-N 0 0 392.930 6.235 50 0 GKAARN C=Cc1ccc(COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)cc1 ZINC000002115163 203927356 /nfs/dbraw/zinc/92/73/56/203927356.db2.gz GDKVPSOAFXQQPD-UHFFFAOYSA-N 0 0 398.458 5.999 50 0 biogenic GKAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000002126258 203928858 /nfs/dbraw/zinc/92/88/58/203928858.db2.gz KGOKWHKOBGIAJW-UHFFFAOYSA-N 0 0 390.914 5.711 50 0 GKAARN CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000002137963 203929370 /nfs/dbraw/zinc/92/93/70/203929370.db2.gz UWGIOEZFANUWGR-UHFFFAOYSA-N 0 0 384.483 5.324 50 0 GKAARN c1coc(Cn2c3ncn4ncnc4c3c(-c3ccccc3)c2-c2ccccc2)c1 ZINC000002202768 203929663 /nfs/dbraw/zinc/92/96/63/203929663.db2.gz IEUPRGSRTYRXAC-UHFFFAOYSA-N 0 0 391.434 5.054 50 0 GKAARN Cc1ccc(C(=O)OCc2ccccc2NC(=S)c2ccc(C)cc2)cc1 ZINC000002180781 203930219 /nfs/dbraw/zinc/93/02/19/203930219.db2.gz OVVMUACOLRPFGS-UHFFFAOYSA-N 0 0 375.493 5.448 50 0 GKAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)c(F)c1 ZINC000002183247 203930564 /nfs/dbraw/zinc/93/05/64/203930564.db2.gz KOWKHYHXISONPB-CYBMUJFWSA-N 0 0 388.269 6.542 50 0 GKAARN Cc1cc(Oc2nc(-c3ccccc3F)nc3ccccc32)cc(C)c1Cl ZINC000002212656 203931389 /nfs/dbraw/zinc/93/13/89/203931389.db2.gz RWNPFWYSXHSNOW-UHFFFAOYSA-N 0 0 378.834 6.498 50 0 GKAARN CC(C)Oc1ccc(-c2nc3ccccc3c(N(C)C3CCCCC3)n2)cc1 ZINC000002253108 203932798 /nfs/dbraw/zinc/93/27/98/203932798.db2.gz QEDGHUNCSBOKTI-UHFFFAOYSA-N 0 0 375.516 5.853 50 0 GKAARN COc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1Cl ZINC000002229345 203932956 /nfs/dbraw/zinc/93/29/56/203932956.db2.gz VWQDMKARPXYNFL-UHFFFAOYSA-N 0 0 386.842 5.298 50 0 GKAARN CCCCSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 ZINC000002253985 203933807 /nfs/dbraw/zinc/93/38/07/203933807.db2.gz JEGBHDHAJBUHEF-UHFFFAOYSA-N 0 0 396.600 5.826 50 0 GKAARN Cc1ccccc1Oc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002268082 203933982 /nfs/dbraw/zinc/93/39/82/203933982.db2.gz ACLSPIDBXXZSNR-UHFFFAOYSA-N 0 0 381.262 6.704 50 0 GKAARN CCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 ZINC000002274373 203934559 /nfs/dbraw/zinc/93/45/59/203934559.db2.gz HXXKPCAKCVVJQG-OXTYCOSGSA-N 0 0 398.550 6.477 50 0 GKAARN CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000002279543 203935132 /nfs/dbraw/zinc/93/51/32/203935132.db2.gz RGMYQYJNWWXCHF-KRWDZBQOSA-N 0 0 398.237 5.826 50 0 GKAARN O=C1[C@@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=O)N1c1cccc2ccccc21 ZINC000002269761 203935340 /nfs/dbraw/zinc/93/53/40/203935340.db2.gz TWNDHDRDQQNORO-ICSRJNTNSA-N 0 0 394.883 5.076 50 0 GKAARN CCCCCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002295475 203936057 /nfs/dbraw/zinc/93/60/57/203936057.db2.gz OCDOJHPDRLFONW-UHFFFAOYSA-N 0 0 382.573 5.488 50 0 GKAARN Fc1ccc(Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)cc1 ZINC000002306189 203936651 /nfs/dbraw/zinc/93/66/51/203936651.db2.gz XENDWALOMKUEBA-UHFFFAOYSA-N 0 0 394.247 5.942 50 0 GKAARN Cc1ccc(N[P@](=O)(OCC(F)(F)F)Oc2ccc(Cl)cc2)cc1 ZINC000002291432 203936947 /nfs/dbraw/zinc/93/69/47/203936947.db2.gz OFHFVTSEKPMTRQ-DEOSSOPVSA-N 0 0 379.702 5.826 50 0 GKAARN COc1cccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)c1OC ZINC000002329290 203937273 /nfs/dbraw/zinc/93/72/73/203937273.db2.gz ATRFXORZDFGSKJ-UHFFFAOYSA-N 0 0 388.511 5.346 50 0 biogenic GKAARN Cc1nn2c(nc3c(c2Nc2cccc(Cl)c2)CCCC3)c1-c1ccccc1 ZINC000002363885 203940098 /nfs/dbraw/zinc/94/00/98/203940098.db2.gz XYDHCWNVUHAECX-UHFFFAOYSA-N 0 0 388.902 5.981 50 0 GKAARN Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccc(Cl)c1 ZINC000002437404 203943748 /nfs/dbraw/zinc/94/37/48/203943748.db2.gz CUIWZEVPSUSJJI-UHFFFAOYSA-N 0 0 393.899 5.264 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001213713 203898167 /nfs/dbraw/zinc/89/81/67/203898167.db2.gz KAUQZGGRLHSUMN-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN Cc1ccc2c(Cl)c(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)sc2c1 ZINC000002753617 203960413 /nfs/dbraw/zinc/96/04/13/203960413.db2.gz XOKOTLGTKZHOEN-UHFFFAOYSA-N 0 0 382.916 6.878 50 0 GKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000002779343 203961517 /nfs/dbraw/zinc/96/15/17/203961517.db2.gz DYDALUAOEWLADN-UHFFFAOYSA-N 0 0 393.097 6.098 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc2ccccc12 ZINC000002767702 203961727 /nfs/dbraw/zinc/96/17/27/203961727.db2.gz BZEJCIKKIOOOOW-UHFFFAOYSA-N 0 0 389.320 6.191 50 0 GKAARN 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AYKIGTXNNFOPEA-UHFFFAOYSA-N 0 0 386.524 5.547 50 0 GKAARN Cc1ccc(Cl)cc1-n1c(SCc2ccccn2)nnc1-c1ccco1 ZINC000004145565 204029389 /nfs/dbraw/zinc/02/93/89/204029389.db2.gz UPJKEDHKMHAEGD-UHFFFAOYSA-N 0 0 382.876 5.176 50 0 GKAARN Cc1ccc(-n2c(SCc3ccc(F)cc3F)nnc2-c2ccco2)cc1 ZINC000004145456 204029469 /nfs/dbraw/zinc/02/94/69/204029469.db2.gz MEPCVTXVDSBHDR-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN COc1cccc2ccc(/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc21 ZINC000004162684 204030122 /nfs/dbraw/zinc/03/01/22/204030122.db2.gz XMMMHIGRYBJNRE-ACCUITESSA-N 0 0 389.539 6.714 50 0 GKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c(Cl)c1 ZINC000004154671 204030560 /nfs/dbraw/zinc/03/05/60/204030560.db2.gz KRXXQOVNXDEGOW-RBBKRZOGSA-N 0 0 395.289 6.236 50 0 GKAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004180054 204031480 /nfs/dbraw/zinc/03/14/80/204031480.db2.gz JKFKXUBPMJGFRV-UHFFFAOYSA-N 0 0 395.522 5.232 50 0 GKAARN Clc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)c(Cl)c1 ZINC000004192874 204031819 /nfs/dbraw/zinc/03/18/19/204031819.db2.gz VPUDQHKJMFDEHM-LJQANCHMSA-N 0 0 390.360 7.413 50 0 GKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1)c1c[nH]c2ccccc21 ZINC000004209024 204032584 /nfs/dbraw/zinc/03/25/84/204032584.db2.gz ASPXEAQSLPDHAI-IBGZPJMESA-N 0 0 392.823 6.198 50 0 GKAARN C[C@H](c1ccccc1)n1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004225251 204032835 /nfs/dbraw/zinc/03/28/35/204032835.db2.gz DHSZBSKMSAENFZ-MJGOQNOKSA-N 0 0 399.469 5.305 50 0 GKAARN CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccccc1 ZINC000004224430 204032989 /nfs/dbraw/zinc/03/29/89/204032989.db2.gz FSGFIPXGYKHTDK-QGZVFWFLSA-N 0 0 397.931 5.405 50 0 GKAARN CCc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 ZINC000004211541 204033013 /nfs/dbraw/zinc/03/30/13/204033013.db2.gz LWJDNZZGGMIUDM-UHFFFAOYSA-N 0 0 390.508 5.304 50 0 GKAARN COc1cccc2c1O[C@H](c1ccc(C(C)C)cc1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000004281993 204035476 /nfs/dbraw/zinc/03/54/76/204035476.db2.gz UAZLKSXLFSLJBK-JYFHCDHNSA-N 0 0 398.506 6.061 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2OC32CCC(C)CC2)cc1 ZINC000004282013 204035872 /nfs/dbraw/zinc/03/58/72/204035872.db2.gz HEEYBYCYVWVKMA-DXJIIWSXSA-N 0 0 392.499 5.154 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2cc(OC)ccc2[nH]1 ZINC000004273658 204035926 /nfs/dbraw/zinc/03/59/26/204035926.db2.gz YTALNWCCTVVKPM-KBPBESRZSA-N 0 0 383.517 5.204 50 0 GKAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc2c1C ZINC000004273284 204035948 /nfs/dbraw/zinc/03/59/48/204035948.db2.gz VVCJZCOANWEDAT-UHFFFAOYSA-N 0 0 379.529 5.422 50 0 GKAARN CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004282010 204036073 /nfs/dbraw/zinc/03/60/73/204036073.db2.gz PNBHIHVIIKKWCP-UGKGYDQZSA-N 0 0 376.481 5.389 50 0 GKAARN Clc1ccc([C@H]2C[C@H](c3cccc4ccccc43)n3ncnc3N2)c(Cl)c1 ZINC000004699679 204064960 /nfs/dbraw/zinc/06/49/60/204064960.db2.gz DIXTTWBGSGKBDT-WOJBJXKFSA-N 0 0 395.293 5.884 50 0 GKAARN CCCC[C@@H](CC)CNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004699455 204065571 /nfs/dbraw/zinc/06/55/71/204065571.db2.gz GUKIDEMJZHNOBO-HXUWFJFHSA-N 0 0 380.532 5.464 50 0 GKAARN CSC1=N/C(=C\c2cccc(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000004698161 204065722 /nfs/dbraw/zinc/06/57/22/204065722.db2.gz PBAQIGWJCJOYIM-YBEGLDIGSA-N 0 0 377.296 5.096 50 0 GKAARN CCCCSc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1 ZINC000004694470 204065749 /nfs/dbraw/zinc/06/57/49/204065749.db2.gz IIPAQKKKFHPVFY-XMMPIXPASA-N 0 0 389.520 5.433 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000004696258 204065824 /nfs/dbraw/zinc/06/58/24/204065824.db2.gz XXBNSCJYAPDRES-UHFFFAOYSA-N 0 0 399.475 5.315 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)nc2c1 ZINC000004703890 204066265 /nfs/dbraw/zinc/06/62/65/204066265.db2.gz HMKNBSJXOCXPGB-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(C)=O)c(N)c32)cc1 ZINC000004702694 204066299 /nfs/dbraw/zinc/06/62/99/204066299.db2.gz RBALFDNOBDMVTG-UHFFFAOYSA-N 0 0 388.492 5.732 50 0 GKAARN COc1cc2c(cc1NC(=O)COc1ccc(C)cc1C)oc1ccccc12 ZINC000004704980 204066890 /nfs/dbraw/zinc/06/68/90/204066890.db2.gz VLAGWTZHYMDTMW-UHFFFAOYSA-N 0 0 375.424 5.229 50 0 GKAARN COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715765 204068053 /nfs/dbraw/zinc/06/80/53/204068053.db2.gz UVQCSEHLSQGITD-DYESRHJHSA-N 0 0 380.831 5.184 50 0 GKAARN CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715661 204068365 /nfs/dbraw/zinc/06/83/65/204068365.db2.gz NBDHWBQVSKIXPJ-XMSQKQJNSA-N 0 0 394.858 5.574 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)cc1Cl ZINC000004710136 204068449 /nfs/dbraw/zinc/06/84/49/204068449.db2.gz UUIKTYJYKZABJA-UHFFFAOYSA-N 0 0 389.307 6.100 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715684 204068497 /nfs/dbraw/zinc/06/84/97/204068497.db2.gz QTOQMWRUPNSESH-GCJKJVERSA-N 0 0 396.393 5.199 50 0 GKAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000004731517 204069380 /nfs/dbraw/zinc/06/93/80/204069380.db2.gz HGMMQIACGZAJRX-QHCPKHFHSA-N 0 0 394.478 5.272 50 0 GKAARN COc1cc(-c2nc3nc(C)cc(C)n3c2Nc2c(C)cccc2C)ccc1O ZINC000004734183 204070285 /nfs/dbraw/zinc/07/02/85/204070285.db2.gz JYBSDJUHNMNNAU-UHFFFAOYSA-N 0 0 388.471 5.088 50 0 GKAARN CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000004735762 204070461 /nfs/dbraw/zinc/07/04/61/204070461.db2.gz LVRXUJRXJKFEDE-UHFFFAOYSA-N 0 0 399.512 5.351 50 0 GKAARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N=C3C)C2)cc(OC)c1OC ZINC000004736671 204070629 /nfs/dbraw/zinc/07/06/29/204070629.db2.gz UOXKXWQQJNWGHL-AWEZNQCLSA-N 0 0 392.455 5.281 50 0 GKAARN CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(Cl)cc2)cc1 ZINC000004733496 204070663 /nfs/dbraw/zinc/07/06/63/204070663.db2.gz VFVAZSQIIMSOQM-UHFFFAOYSA-N 0 0 379.916 6.429 50 0 GKAARN Cc1cccc(C)c1Nc1c(-c2cccs2)nc2ccc(Br)cn21 ZINC000004733570 204070671 /nfs/dbraw/zinc/07/06/71/204070671.db2.gz BIKJCEDEGYDZRG-UHFFFAOYSA-N 0 0 398.329 6.186 50 0 GKAARN Cc1ccccc1Nc1c(-c2cccs2)nc2ccc(Br)cn21 ZINC000004733851 204071315 /nfs/dbraw/zinc/07/13/15/204071315.db2.gz IXAGEUMTOJSSAN-UHFFFAOYSA-N 0 0 384.302 5.877 50 0 GKAARN Clc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)s1 ZINC000004733543 204071336 /nfs/dbraw/zinc/07/13/36/204071336.db2.gz SQKJIGAWLDFDPA-UHFFFAOYSA-N 0 0 394.714 6.767 50 0 GKAARN Cc1ccc(-n2c(/C=C/c3cn(C)c4ccccc34)nc3ccccc3c2=O)cc1 ZINC000004733364 204071367 /nfs/dbraw/zinc/07/13/67/204071367.db2.gz KXSMPIHVARWCOZ-DTQAZKPQSA-N 0 0 391.474 5.356 50 0 GKAARN CCC[C@H](C)c1nnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 ZINC000004740475 204071567 /nfs/dbraw/zinc/07/15/67/204071567.db2.gz SEJKGFHKKWHQMR-MAUKXSAKSA-N 0 0 397.569 5.914 50 0 GKAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000004744496 204071652 /nfs/dbraw/zinc/07/16/52/204071652.db2.gz LMRNRAHWUIPIQZ-LJQANCHMSA-N 0 0 397.877 5.001 50 0 GKAARN CCCCOc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(=O)o2)cc1 ZINC000004754657 204073233 /nfs/dbraw/zinc/07/32/33/204073233.db2.gz KJTHOWKITRMOMK-UHFFFAOYSA-N 0 0 397.474 6.215 50 0 GKAARN Cc1cc(OCc2ccc(Cl)cc2Cl)c2c3c(c(=O)oc2c1)CCC3 ZINC000004746078 204073820 /nfs/dbraw/zinc/07/38/20/204073820.db2.gz ANBOZOFBOWXEND-UHFFFAOYSA-N 0 0 375.251 5.476 50 0 GKAARN CCCCc1ccc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2c1 ZINC000004776873 204074244 /nfs/dbraw/zinc/07/42/44/204074244.db2.gz SEBYBUDIWUSSDB-UHFFFAOYSA-N 0 0 390.508 6.053 50 0 GKAARN Fc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(Cl)cc3)n2)cc1 ZINC000004757694 204074489 /nfs/dbraw/zinc/07/44/89/204074489.db2.gz MEWFNDNQCXWWEH-UHFFFAOYSA-N 0 0 381.760 5.567 50 0 GKAARN CC1(C)Oc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2O1 ZINC000004783829 204075333 /nfs/dbraw/zinc/07/53/33/204075333.db2.gz VELZBXSAXBPWSB-UHFFFAOYSA-N 0 0 396.446 5.661 50 0 GKAARN Clc1ccc(-c2nnc(SCc3csc(-c4ccco4)n3)o2)cc1 ZINC000004788781 204075614 /nfs/dbraw/zinc/07/56/14/204075614.db2.gz UUWCBDXGCYLMPD-UHFFFAOYSA-N 0 0 375.862 5.399 50 0 GKAARN CC1=Nc2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccccc21 ZINC000004929267 204092058 /nfs/dbraw/zinc/09/20/58/204092058.db2.gz JZBFRDREFODPMZ-UHFFFAOYSA-N 0 0 392.911 5.875 50 0 GKAARN Cc1cc(OCCSc2nnc(-c3c[nH]c4ccccc43)n2C)ccc1Cl ZINC000004808452 204076372 /nfs/dbraw/zinc/07/63/72/204076372.db2.gz WIELMYYGRIXTBR-UHFFFAOYSA-N 0 0 398.919 5.096 50 0 GKAARN Cc1c(C(=O)N2c3ccccc3C[C@H]2C)sc2nc(-c3ccc(F)cc3)cn12 ZINC000004930877 204092103 /nfs/dbraw/zinc/09/21/03/204092103.db2.gz GAAYYWQINBFMMU-CYBMUJFWSA-N 0 0 391.471 5.102 50 0 GKAARN c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)cc1 ZINC000004811936 204077659 /nfs/dbraw/zinc/07/76/59/204077659.db2.gz YPSCSLRSHBUTLC-AHWVRZQESA-N 0 0 376.459 6.082 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1 ZINC000004827684 204079362 /nfs/dbraw/zinc/07/93/62/204079362.db2.gz KYYRGCKYVSXTEQ-UHFFFAOYSA-N 0 0 387.439 5.546 50 0 GKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C ZINC000004836927 204080190 /nfs/dbraw/zinc/08/01/90/204080190.db2.gz QKVZCCXOZQDSMB-KOSHJBKYSA-N 0 0 384.479 5.220 50 0 GKAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)CCCC2 ZINC000004841213 204081660 /nfs/dbraw/zinc/08/16/60/204081660.db2.gz LJKMMALWUYHYQC-UHFFFAOYSA-N 0 0 384.888 5.244 50 0 GKAARN COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000004841885 204081681 /nfs/dbraw/zinc/08/16/81/204081681.db2.gz OZWWVMOYDRSZGS-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN COc1ccc(/C=C/c2nc3cc(-c4nc5ccccc5[nH]4)ccc3s2)cc1 ZINC000004864138 204083049 /nfs/dbraw/zinc/08/30/49/204083049.db2.gz YCYGOFQFLKTCTL-MDWZMJQESA-N 0 0 383.476 6.019 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000004862855 204083279 /nfs/dbraw/zinc/08/32/79/204083279.db2.gz HDYHUPWQSNOGGT-AOYPEHQESA-N 0 0 382.507 6.361 50 0 GKAARN C(=C/c1nc2ccccc2s1)\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000004863696 204083717 /nfs/dbraw/zinc/08/37/17/204083717.db2.gz ZOOILFRIRQEIIM-OUKQBFOZSA-N 0 0 385.517 6.381 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000004880606 204085554 /nfs/dbraw/zinc/08/55/54/204085554.db2.gz 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MVZBROZVKAICRE-SFHVURJKSA-N 0 0 396.878 5.376 50 0 GKAARN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2cnn(-c3cccc(Cl)c3)c2N1 ZINC000065331243 205231176 /nfs/dbraw/zinc/23/11/76/205231176.db2.gz GUJLSROSCPLIPN-OAHLLOKOSA-N 0 0 391.780 5.019 50 0 GKAARN Cc1nn(C)c(Cl)c1-c1c(-c2ccccc2)ncn1[C@@H](C)Cc1ccccn1 ZINC000065394991 205233030 /nfs/dbraw/zinc/23/30/30/205233030.db2.gz CDUXEBGLNNJXII-HNNXBMFYSA-N 0 0 391.906 5.111 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000065487545 205235756 /nfs/dbraw/zinc/23/57/56/205235756.db2.gz IAACJCNYHMDQEO-FQEVSTJZSA-N 0 0 395.506 5.381 50 0 GKAARN Cc1[nH]c2ccc(C(=O)N(Cc3cccnc3)Cc3ccccc3C)cc2c1C ZINC000065489253 205236093 /nfs/dbraw/zinc/23/60/93/205236093.db2.gz CXQFFYCBZTXFAK-UHFFFAOYSA-N 0 0 383.495 5.331 50 0 GKAARN Cc1ccc(-c2nnc(CCC(=O)O[C@@H](Cc3ccccc3)C(C)(C)C)o2)cc1 ZINC000065563152 205238120 /nfs/dbraw/zinc/23/81/20/205238120.db2.gz KCTQLWGMDONVQQ-FQEVSTJZSA-N 0 0 392.499 5.178 50 0 GKAARN Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)ccc1Oc1cccnc1 ZINC000072028928 209111296 /nfs/dbraw/zinc/11/12/96/209111296.db2.gz GKAXLRKDPZJQQY-UHFFFAOYSA-N 0 0 378.859 5.506 50 0 GKAARN Fc1ccc(-c2nnn3c2nc(NCCCc2ccccc2)c2ccccc23)cc1 ZINC000067261422 205243687 /nfs/dbraw/zinc/24/36/87/205243687.db2.gz HSTSRTJSYVIYCJ-UHFFFAOYSA-N 0 0 397.457 5.128 50 0 GKAARN Clc1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c1 ZINC000067262196 205243921 /nfs/dbraw/zinc/24/39/21/205243921.db2.gz BZLXBWQHEMJDAV-UHFFFAOYSA-N 0 0 385.858 5.210 50 0 GKAARN CCCCn1c(=O)c2ccccc2nc1SCc1c(F)cccc1Cl ZINC000067259706 205244282 /nfs/dbraw/zinc/24/42/82/205244282.db2.gz IJUKGKPMKFGCAS-UHFFFAOYSA-N 0 0 376.884 5.281 50 0 GKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1C ZINC000067259493 205244409 /nfs/dbraw/zinc/24/44/09/205244409.db2.gz HYYYTNCRKPYCAP-UHFFFAOYSA-N 0 0 392.549 5.415 50 0 GKAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000067259196 205244566 /nfs/dbraw/zinc/24/45/66/205244566.db2.gz ODWBISBCHHAVQN-UHFFFAOYSA-N 0 0 388.467 5.460 50 0 GKAARN Cc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 ZINC000067260613 205244570 /nfs/dbraw/zinc/24/45/70/205244570.db2.gz OCUBDXIACIXDKT-UHFFFAOYSA-N 0 0 399.523 5.262 50 0 GKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 ZINC000067259886 205244594 /nfs/dbraw/zinc/24/45/94/205244594.db2.gz GXMXVSZTEHFGOB-UHFFFAOYSA-N 0 0 396.512 5.246 50 0 GKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2C)nc1 ZINC000067296647 205244935 /nfs/dbraw/zinc/24/49/35/205244935.db2.gz HFXIGFLVPIDYFZ-RWEWTDSWSA-N 0 0 387.414 5.068 50 0 GKAARN CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 ZINC000067297506 205245004 /nfs/dbraw/zinc/24/50/04/205245004.db2.gz IEZRYXWIZZIIIM-BZZOAKBMSA-N 0 0 386.476 5.639 50 0 GKAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CCCC[C@H]1C ZINC000065240945 205220952 /nfs/dbraw/zinc/22/09/52/205220952.db2.gz FXFUSHCRFRKLLB-CQSZACIVSA-N 0 0 382.533 5.064 50 0 GKAARN Cc1ccccc1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067884313 205265926 /nfs/dbraw/zinc/26/59/26/205265926.db2.gz MHVFUIGXTBNYII-UHFFFAOYSA-N 0 0 386.373 5.131 50 0 GKAARN CC(C)c1ccc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)nn1 ZINC000067896083 205266046 /nfs/dbraw/zinc/26/60/46/205266046.db2.gz TYVZXHNWMHFRGK-UHFFFAOYSA-N 0 0 395.890 5.025 50 0 GKAARN COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1OC(F)F ZINC000069055500 205271491 /nfs/dbraw/zinc/27/14/91/205271491.db2.gz QUJWZBAZEGFSLY-SECBINFHSA-N 0 0 390.213 5.094 50 0 GKAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2C)n1 ZINC000067296818 205245870 /nfs/dbraw/zinc/24/58/70/205245870.db2.gz GLNGBPGTXKJQFI-RWEWTDSWSA-N 0 0 387.414 5.068 50 0 GKAARN O=S(=O)(c1cccc(F)c1)c1cnc2c(F)cccc2c1-c1cccc(F)c1 ZINC000071328629 205281825 /nfs/dbraw/zinc/28/18/25/205281825.db2.gz ZNXUMOMQHOWICJ-UHFFFAOYSA-N 0 0 399.393 5.152 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)N[C@@H](C)CCc2ccccc2)s1 ZINC000071326569 205282170 /nfs/dbraw/zinc/28/21/70/205282170.db2.gz AEXRCCWOVUWFSX-INIZCTEOSA-N 0 0 393.556 5.509 50 0 GKAARN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(C(C)(C)C)cc3)no2)CC1 ZINC000071768123 205295659 /nfs/dbraw/zinc/29/56/59/205295659.db2.gz PFOFMTYBDZDCQB-UHFFFAOYSA-N 0 0 385.508 5.149 50 0 GKAARN Brc1cccc(C2(NCc3csc(C4CCCC4)n3)CCC2)c1 ZINC000071794520 205297104 /nfs/dbraw/zinc/29/71/04/205297104.db2.gz ZIYVCMAIEOQCOI-UHFFFAOYSA-N 0 0 391.378 5.732 50 0 GKAARN Cc1c2cccc(F)c2[nH]c1C(=O)N1CCC[C@@H](CCc2ccccc2C)C1 ZINC000071775930 205297484 /nfs/dbraw/zinc/29/74/84/205297484.db2.gz VPLAKZCJBFEWIM-SFHVURJKSA-N 0 0 378.491 5.409 50 0 GKAARN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000072018525 205302660 /nfs/dbraw/zinc/30/26/60/205302660.db2.gz URYFYSPICCLMHT-HNNXBMFYSA-N 0 0 380.488 5.167 50 0 GKAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC(Nc4cccnc4)CC3)cc2C1 ZINC000072078866 205302963 /nfs/dbraw/zinc/30/29/63/205302963.db2.gz FBWNBKFIPKRGGM-QGZVFWFLSA-N 0 0 397.588 5.011 50 0 GKAARN COc1ccc(Cl)cc1-c1nc(SCc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000072099338 205303639 /nfs/dbraw/zinc/30/36/39/205303639.db2.gz VCJKWGUHKMCZDN-UHFFFAOYSA-N 0 0 399.825 5.445 50 0 GKAARN CN(Cc1ccc(Br)s1)C(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000069445743 205276082 /nfs/dbraw/zinc/27/60/82/205276082.db2.gz DNZAGMZMJGSPMP-UHFFFAOYSA-N 0 0 396.325 5.120 50 0 GKAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000069459428 205276637 /nfs/dbraw/zinc/27/66/37/205276637.db2.gz DIUNXNADMKGGAT-SECBINFHSA-N 0 0 385.798 5.657 50 0 GKAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cc(Cl)ccc1Cl ZINC000090613625 205276853 /nfs/dbraw/zinc/27/68/53/205276853.db2.gz KYEYNGLBVXZHHL-MRXNPFEDSA-N 0 0 398.336 5.128 50 0 GKAARN Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000069706888 205277111 /nfs/dbraw/zinc/27/71/11/205277111.db2.gz PPHGYHNIMKQXNU-APWZRJJASA-N 0 0 380.513 5.126 50 0 GKAARN Clc1ccc(COc2ccc(I)cc2)c(Cl)c1 ZINC000070133784 205278152 /nfs/dbraw/zinc/27/81/52/205278152.db2.gz WHQSHHWVUQSSLU-UHFFFAOYSA-N 0 0 379.024 5.177 50 0 GKAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(C(C)C)cc3)[nH]n2)cc1 ZINC000072331545 205325679 /nfs/dbraw/zinc/32/56/79/205325679.db2.gz LWIXSURWBCOYFJ-UHFFFAOYSA-N 0 0 391.515 5.309 50 0 GKAARN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1nc(-c2ccco2)oc1C ZINC000072307262 205321724 /nfs/dbraw/zinc/32/17/24/205321724.db2.gz QYGKNQRFTHXTPR-LJQANCHMSA-N 0 0 396.487 5.088 50 0 GKAARN CC[C@](C)(NCC(=O)Nc1ccccc1Oc1ccc(C)cc1)c1nccs1 ZINC000072305186 205321799 /nfs/dbraw/zinc/32/17/99/205321799.db2.gz VTRXQTBWOLKWDS-QFIPXVFZSA-N 0 0 395.528 5.097 50 0 GKAARN CSc1ccc2cc(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072418284 205347099 /nfs/dbraw/zinc/34/70/99/205347099.db2.gz PDOKNTYBTGEBJQ-UHFFFAOYSA-N 0 0 384.932 5.109 50 0 GKAARN COc1ccc2cc([C@@H](C)Sc3nnc(Cc4csc(C)n4)o3)ccc2c1 ZINC000078939432 205377199 /nfs/dbraw/zinc/37/71/99/205377199.db2.gz CLUIWLDQFZFETC-GFCCVEGCSA-N 0 0 397.525 5.440 50 0 GKAARN CC(C)(C)c1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn32)cc1 ZINC000080346399 205384843 /nfs/dbraw/zinc/38/48/43/205384843.db2.gz ZJUZVBMBWIKTIR-UHFFFAOYSA-N 0 0 392.572 5.618 50 0 GKAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000084667862 205397063 /nfs/dbraw/zinc/39/70/63/205397063.db2.gz XLJKKWQAUXCPGP-IVMQYODDSA-N 0 0 393.556 5.725 50 0 GKAARN CC[C@H]1CC[C@H](CC)P1c1ccccc1P1(=O)[C@@H](CC)CC[C@@H]1CC ZINC000084847747 205399950 /nfs/dbraw/zinc/39/99/50/205399950.db2.gz PFNSFIIPVBDTTF-MUGJNUQGSA-N 0 0 378.477 6.484 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000089526094 205405039 /nfs/dbraw/zinc/40/50/39/205405039.db2.gz BDFCRDOEPGFERA-UHFFFAOYSA-N 0 0 396.859 5.074 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000095915246 205505197 /nfs/dbraw/zinc/50/51/97/205505197.db2.gz QKUYZJOTWYRWNF-AWEZNQCLSA-N 0 0 392.362 5.835 50 0 in-vitro GKAARN Cc1nc(COc2cccc(/C=C/C(=O)N(C)Cc3ccc(C)cc3)c2)cs1 ZINC000023074414 211784114 /nfs/dbraw/zinc/78/41/14/211784114.db2.gz BARXQCBPGQJFAZ-VAWYXSNFSA-N 0 0 392.524 5.011 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SCCOc1ccc(Cl)cc1 ZINC000058016249 211777163 /nfs/dbraw/zinc/77/71/63/211777163.db2.gz PCHPRKNBEPTADZ-CYBMUJFWSA-N 0 0 384.328 5.441 50 0 GKAARN Fc1ccc(COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)cc1 ZINC000096280649 205556587 /nfs/dbraw/zinc/55/65/87/205556587.db2.gz YEMDOUHPMFXJOI-UHFFFAOYSA-N 0 0 380.806 5.775 50 0 GKAARN O=C(NCc1ccc(Cl)cc1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323654 205558330 /nfs/dbraw/zinc/55/83/30/205558330.db2.gz UKPAVCXHYNRXIU-UHFFFAOYSA-N 0 0 395.821 5.294 50 0 GKAARN CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000096533398 205569795 /nfs/dbraw/zinc/56/97/95/205569795.db2.gz CWIYZLDFXWZXPW-RNUYOQPASA-N 0 0 378.497 5.072 50 0 GKAARN Cc1c(C(=O)Nc2cccc(/C=C\c3ccccn3)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000096817243 205571027 /nfs/dbraw/zinc/57/10/27/205571027.db2.gz SIGFAKQZQJJUQS-KHPPLWFESA-N 0 0 399.494 5.296 50 0 GKAARN O=C(/C=C\c1cccc2cccnc12)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000096973074 205581141 /nfs/dbraw/zinc/58/11/41/205581141.db2.gz PBOBNUSWETYYBL-FLIBITNWSA-N 0 0 390.826 5.300 50 0 GKAARN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(Cl)c1 ZINC000098073090 205600905 /nfs/dbraw/zinc/60/09/05/205600905.db2.gz MATPDHLSWWPSPI-INIZCTEOSA-N 0 0 377.871 5.622 50 0 GKAARN CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)CC1 ZINC000098210989 205603134 /nfs/dbraw/zinc/60/31/34/205603134.db2.gz NNUGLBVCOUMQAO-UHFFFAOYSA-N 0 0 399.535 5.224 50 0 GKAARN CCOc1ccc(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)cc1OCC ZINC000101014674 205615512 /nfs/dbraw/zinc/61/55/12/205615512.db2.gz BQDDHGCZZKURDW-NRFANRHFSA-N 0 0 387.479 5.489 50 0 GKAARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 ZINC000102672858 205634607 /nfs/dbraw/zinc/63/46/07/205634607.db2.gz XSPHFKZOMJFPJA-IIBYNOLFSA-N 0 0 390.874 5.305 50 0 GKAARN COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000044086033 205662292 /nfs/dbraw/zinc/66/22/92/205662292.db2.gz ISNCHYRGBLOWJE-UHFFFAOYSA-N 0 0 390.483 5.979 50 0 GKAARN CC(C)Sc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044087900 205663325 /nfs/dbraw/zinc/66/33/25/205663325.db2.gz WKEKMIBFYWZPGG-UHFFFAOYSA-N 0 0 378.419 5.938 50 0 GKAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000044087588 205663931 /nfs/dbraw/zinc/66/39/31/205663931.db2.gz HVJCJAUWIGRIRG-UHFFFAOYSA-N 0 0 399.947 5.118 50 0 GKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H]5C[C@]4(C=NO5)[C@H]3CC[C@]12C ZINC000118915748 205683064 /nfs/dbraw/zinc/68/30/64/205683064.db2.gz HDHGWPLBZGZAAW-VWHLHOJFSA-N 0 0 399.663 7.472 50 0 GKAARN Cc1cc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)no1 ZINC000048310327 205666052 /nfs/dbraw/zinc/66/60/52/205666052.db2.gz VCZBWXHTLKKHNU-INIZCTEOSA-N 0 0 394.862 5.071 50 0 GKAARN O=C(Nc1nc2ccc(Cl)cc2s1)C(c1ccccc1)c1ccccc1 ZINC000000947125 205704403 /nfs/dbraw/zinc/70/44/03/205704403.db2.gz LJUWEHZNYUKTAQ-UHFFFAOYSA-N 0 0 378.884 5.720 50 0 GKAARN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1cccs1 ZINC000000937344 205705100 /nfs/dbraw/zinc/70/51/00/205705100.db2.gz PIFIBTIRBDWEGP-UHFFFAOYSA-N 0 0 385.510 5.468 50 0 GKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(Br)cc1 ZINC000000949563 205705573 /nfs/dbraw/zinc/70/55/73/205705573.db2.gz DACJJBIJWZTXCQ-UHFFFAOYSA-N 0 0 385.261 5.226 50 0 GKAARN CCn1nccc1/C=C1\C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118928007 205683686 /nfs/dbraw/zinc/68/36/86/205683686.db2.gz NYSCCTYGRPAGRC-FXOZNTCUSA-N 0 0 382.592 5.690 50 0 GKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(Cl)nc2Cl)n1 ZINC000122364674 205686213 /nfs/dbraw/zinc/68/62/13/205686213.db2.gz DVPZPGZMAYTLFJ-UHFFFAOYSA-N 0 0 394.283 5.081 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccccc1 ZINC000000793649 205696639 /nfs/dbraw/zinc/69/66/39/205696639.db2.gz PBBPYRHQSWWHPD-UHFFFAOYSA-N 0 0 393.240 5.510 50 0 GKAARN Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000000897315 205701914 /nfs/dbraw/zinc/70/19/14/205701914.db2.gz OQCGMGHXFNMADA-UHFFFAOYSA-N 0 0 392.915 5.583 50 0 GKAARN COc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1OC ZINC000004355726 205746479 /nfs/dbraw/zinc/74/64/79/205746479.db2.gz YOSPWDSRADGDMT-UHFFFAOYSA-N 0 0 390.867 5.246 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccccn2)cs1 ZINC000006790492 205783862 /nfs/dbraw/zinc/78/38/62/205783862.db2.gz QZDMCEXJCKQGNK-UHFFFAOYSA-N 0 0 385.492 5.366 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000006996955 205784930 /nfs/dbraw/zinc/78/49/30/205784930.db2.gz PNUREQVVUWEZLA-GOSISDBHSA-N 0 0 382.290 5.938 50 0 GKAARN O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 ZINC000005191777 205763602 /nfs/dbraw/zinc/76/36/02/205763602.db2.gz UMKSKDKWFLHIJN-UHFFFAOYSA-N 0 0 380.947 5.646 50 0 GKAARN CCSc1ccccc1C(=O)Nc1nc2c(s1)c(Cl)ccc2OC ZINC000005256638 205763980 /nfs/dbraw/zinc/76/39/80/205763980.db2.gz ZCORNFLBLNFBAD-UHFFFAOYSA-N 0 0 378.906 5.323 50 0 GKAARN O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000005256156 205764329 /nfs/dbraw/zinc/76/43/29/205764329.db2.gz WSJFOGWTGOIJMD-LJQANCHMSA-N 0 0 386.282 5.432 50 0 GKAARN Brc1ccc(Oc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000005944213 205773442 /nfs/dbraw/zinc/77/34/42/205773442.db2.gz GBAWZLGZQCTPON-UHFFFAOYSA-N 0 0 383.270 5.913 50 0 GKAARN CCCCCOc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000006321704 205775883 /nfs/dbraw/zinc/77/58/83/205775883.db2.gz RUNXSHIYDYVAPW-UHFFFAOYSA-N 0 0 386.517 5.120 50 0 GKAARN Cc1nc2ccc3nc(NC(=O)CCSc4ccccc4)sc3c2s1 ZINC000006452380 205776173 /nfs/dbraw/zinc/77/61/73/205776173.db2.gz KEEHPWYOHHCDTG-UHFFFAOYSA-N 0 0 385.539 5.335 50 0 GKAARN CCOc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 ZINC000001123071 205808572 /nfs/dbraw/zinc/80/85/72/205808572.db2.gz QENXVPNWEQEZGB-UHFFFAOYSA-N 0 0 385.419 5.111 50 0 GKAARN Cc1ccc(C(=O)[C@H](C)Oc2ccc3cc(Br)ccc3c2)cc1C ZINC000005744078 205817208 /nfs/dbraw/zinc/81/72/08/205817208.db2.gz OLIBWIQAUXMBML-HNNXBMFYSA-N 0 0 383.285 5.869 50 0 GKAARN Cc1nc2[nH]c(SCc3c(F)cccc3Cl)nc2cc1Br ZINC000005453901 205818549 /nfs/dbraw/zinc/81/85/49/205818549.db2.gz XEOZGXXEOBLDKY-UHFFFAOYSA-N 0 0 386.677 5.114 50 0 GKAARN COc1ccc2nc(N(Cc3ccco3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000010528313 205862173 /nfs/dbraw/zinc/86/21/73/205862173.db2.gz VILVTURPUCFFQQ-VQHVLOKHSA-N 0 0 396.493 5.206 50 0 GKAARN COc1cccc2cc(-c3csc(NC(=O)c4ccc(Cl)s4)n3)oc21 ZINC000010747793 205863134 /nfs/dbraw/zinc/86/31/34/205863134.db2.gz DWNSASJQILAHMO-UHFFFAOYSA-N 0 0 390.873 5.532 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(Br)cc1 ZINC000013736920 205890876 /nfs/dbraw/zinc/89/08/76/205890876.db2.gz FUBWRRORLCOFQE-UHFFFAOYSA-N 0 0 393.350 5.564 50 0 GKAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc(OC(C)C)n1 ZINC000012226065 205872400 /nfs/dbraw/zinc/87/24/00/205872400.db2.gz APWBZZHPYOUPBJ-UHFFFAOYSA-N 0 0 395.438 5.099 50 0 GKAARN Clc1cc(Cl)c(OCc2ccccc2)c(Cl)c1OCc1ccccc1 ZINC000004013049 205874666 /nfs/dbraw/zinc/87/46/66/205874666.db2.gz DVIRSSZHGWNWEK-UHFFFAOYSA-N 0 0 393.697 6.805 50 0 GKAARN COc1ccc(-c2cs/c(=N\c3cccc(C)c3)n2-c2cccc(C)c2)cc1 ZINC000012523998 205875957 /nfs/dbraw/zinc/87/59/57/205875957.db2.gz ZFYDFWXNKIOTSX-IZHYLOQSSA-N 0 0 386.520 6.064 50 0 GKAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccccc3C(F)(F)F)n2c1 ZINC000012603301 205878762 /nfs/dbraw/zinc/87/87/62/205878762.db2.gz JWHXCYXVXOEDCS-UHFFFAOYSA-N 0 0 395.384 5.581 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000014707010 205897804 /nfs/dbraw/zinc/89/78/04/205897804.db2.gz JABRDZNLVXKYMI-UHFFFAOYSA-N 0 0 392.499 5.527 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCc1ccc(C)cc1 ZINC000020159081 205915223 /nfs/dbraw/zinc/91/52/23/205915223.db2.gz HSXXJZUSYOBIGY-UHFFFAOYSA-N 0 0 393.508 5.472 50 0 GKAARN O=C(Cc1cccs1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000208010565 205891727 /nfs/dbraw/zinc/89/17/27/205891727.db2.gz CWCSXDFHRQXJGV-UHFFFAOYSA-N 0 0 394.496 5.859 50 0 GKAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1F ZINC000014268156 205894491 /nfs/dbraw/zinc/89/44/91/205894491.db2.gz JCEHZDDLYDWGDM-UHFFFAOYSA-N 0 0 393.245 5.667 50 0 GKAARN CCN(C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C)c1ccc(F)cc1 ZINC000026094928 205992252 /nfs/dbraw/zinc/99/22/52/205992252.db2.gz ROQOFJUVEHVYSO-UHFFFAOYSA-N 0 0 395.459 5.374 50 0 GKAARN C[C@@H](Nc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1ccccc1 ZINC000028293806 206041425 /nfs/dbraw/zinc/04/14/25/206041425.db2.gz MAUNAXZLHDEAHO-QGZVFWFLSA-N 0 0 392.462 6.125 50 0 GKAARN O=C(Nc1ccc(SC2CCCC2)cc1)c1cncc(Br)c1 ZINC000030183731 206071210 /nfs/dbraw/zinc/07/12/10/206071210.db2.gz HXUHPJPNVMGCBT-UHFFFAOYSA-N 0 0 377.307 5.131 50 0 GKAARN Cc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1C ZINC000029288216 206058851 /nfs/dbraw/zinc/05/88/51/206058851.db2.gz JDHDQXJWBXUUTM-UHFFFAOYSA-N 0 0 398.875 5.349 50 0 GKAARN CC(C)c1ccc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000031356939 206089695 /nfs/dbraw/zinc/08/96/95/206089695.db2.gz HLZPVCMANPOXGO-UHFFFAOYSA-N 0 0 392.524 5.396 50 0 GKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(O)c4)=NN32)o1 ZINC000013036291 211697655 /nfs/dbraw/zinc/69/76/55/211697655.db2.gz MZIGTPCCQKIWPH-NQIIRXRSSA-N 0 0 380.831 5.189 50 0 GKAARN Cc1ccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000031423557 206087829 /nfs/dbraw/zinc/08/78/29/206087829.db2.gz IWNRTTLCPPKZSI-UHFFFAOYSA-N 0 0 386.904 5.484 50 0 GKAARN CC(=O)N(CC[C@@H](CCC(C)C)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000032069886 206088648 /nfs/dbraw/zinc/08/86/48/206088648.db2.gz WJCOIUVLFWSNGZ-IFMALSPDSA-N 0 0 393.999 6.056 50 0 GKAARN O=C(NCCOc1ccccc1F)c1ccc(CSC2CCCCC2)cc1 ZINC000059449253 206102101 /nfs/dbraw/zinc/10/21/01/206102101.db2.gz PMDUCEYGIXEAPV-UHFFFAOYSA-N 0 0 387.520 5.200 50 0 GKAARN C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)c2cc(C(F)(F)F)ccc2S1 ZINC000059005411 206102135 /nfs/dbraw/zinc/10/21/35/206102135.db2.gz WKCPHJUOBWLMDN-SNVBAGLBSA-N 0 0 386.826 5.285 50 0 GKAARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(SC(F)F)cc1 ZINC000060242254 206102908 /nfs/dbraw/zinc/10/29/08/206102908.db2.gz VTMQLISPYWHKEE-UHFFFAOYSA-N 0 0 387.238 5.066 50 0 GKAARN Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c(C)s1 ZINC000032739688 206093787 /nfs/dbraw/zinc/09/37/87/206093787.db2.gz QJZWDILPABDEQM-HXUWFJFHSA-N 0 0 379.481 5.210 50 0 GKAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nc(C)cs3)n2)cc1 ZINC000032956521 206094183 /nfs/dbraw/zinc/09/41/83/206094183.db2.gz BVTCAGONZMOYMH-GFCCVEGCSA-N 0 0 389.571 5.257 50 0 GKAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(-c2ccccc2)on1 ZINC000032854832 206094307 /nfs/dbraw/zinc/09/43/07/206094307.db2.gz WFRYLXPHADLRIS-UHFFFAOYSA-N 0 0 376.412 5.026 50 0 GKAARN Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1NC(=O)/C=C\c1ccccc1 ZINC000033294170 206095964 /nfs/dbraw/zinc/09/59/64/206095964.db2.gz OBQLDHYFNOZTFB-RUFHZZRQSA-N 0 0 382.463 5.299 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096115043 206118443 /nfs/dbraw/zinc/11/84/43/206118443.db2.gz XELXKZJCZXSVKJ-IBGZPJMESA-N 0 0 377.875 5.039 50 0 biogenic GKAARN Cc1ccc(/C=C/c2ccccc2-c2ccccc2/C=C\c2ccc(C)cc2)cc1 ZINC000096572096 206122588 /nfs/dbraw/zinc/12/25/88/206122588.db2.gz OLINDKCPBNEIAH-OLAQIDGISA-N 0 0 386.538 8.311 50 0 GKAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(C(C)C)cc3)c2C(N)=O)C1 ZINC000096594355 206123173 /nfs/dbraw/zinc/12/31/73/206123173.db2.gz PYBXMVAEDZEUHY-PINLSGDHSA-N 0 0 396.556 5.137 50 0 GKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000248375429 206139090 /nfs/dbraw/zinc/13/90/90/206139090.db2.gz ATVYIZLNFPIXMI-VWNXMTODSA-N 0 0 388.442 5.467 50 0 GKAARN Clc1ccc(-c2ccnc3nc(CCCc4c[nH]c5ccccc45)nn32)cc1 ZINC000253405200 206146533 /nfs/dbraw/zinc/14/65/33/206146533.db2.gz ICWFQJZSFUDVOC-UHFFFAOYSA-N 0 0 387.874 5.101 50 0 GKAARN C[C@@H]1CC[C@]2(C[C@@H]3[C@H](C[C@@H]4[C@@H]5CC[C@@H]6CCCC[C@@H]6[C@@H]5[C@H](O)C[C@@]43C)O2)OC1 ZINC000253590176 206148894 /nfs/dbraw/zinc/14/88/94/206148894.db2.gz CUKVYWXDZUNVHV-KYUSMKJQSA-N 0 0 388.592 5.158 50 0 GKAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@@]21C ZINC000253609790 206149029 /nfs/dbraw/zinc/14/90/29/206149029.db2.gz KRBPSZPEGAZZAB-LZIWUBSKSA-N 0 0 386.576 5.580 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257349307 206182955 /nfs/dbraw/zinc/18/29/55/206182955.db2.gz NFXOUCCTSGUSAN-GGTZHTEZSA-N 0 0 398.675 7.699 50 0 GKAARN CC1=C2CC[C@H]3[C@@H]4CC[C@@H](C(=O)c5ccc(F)cc5)[C@@]4(C)CC[C@@H]3[C@]2(C)CC1 ZINC000257347857 206183001 /nfs/dbraw/zinc/18/30/01/206183001.db2.gz WNGRBEAUTJGOIR-PMXDAZRTSA-N 0 0 380.547 6.978 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257357949 206183235 /nfs/dbraw/zinc/18/32/35/206183235.db2.gz QYIXCDOBOSTCEI-BRKVWLPFSA-N 0 0 388.680 7.469 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257355919 206183462 /nfs/dbraw/zinc/18/34/62/206183462.db2.gz DNVPQKQSNYMLRS-KGHHPFCSSA-N 0 0 396.659 7.331 50 0 GKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348386 206183612 /nfs/dbraw/zinc/18/36/12/206183612.db2.gz FFLCKIGPXUHXHP-JJNAEWCJSA-N 0 0 398.675 7.843 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349897 206183671 /nfs/dbraw/zinc/18/36/71/206183671.db2.gz SFRHQVIYMXPVMD-KTDNJTAZSA-N 0 0 386.664 7.677 50 0 GKAARN COCCC[C@@H]1CCCCN1C(=O)c1cccc(-c2ccccc2SC)c1 ZINC000299791386 206192568 /nfs/dbraw/zinc/19/25/68/206192568.db2.gz FISFXXAXLJCNKP-FQEVSTJZSA-N 0 0 383.557 5.497 50 0 GKAARN Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(Cc2ccsc2)C2CC2)c1 ZINC000299800911 206194194 /nfs/dbraw/zinc/19/41/94/206194194.db2.gz WEMJEAWZDDZQKS-UHFFFAOYSA-N 0 0 387.455 5.120 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccccc1Br ZINC000001104785 206211132 /nfs/dbraw/zinc/21/11/32/206211132.db2.gz OIPQVXVWMHHRMA-HXUWFJFHSA-N 0 0 393.284 5.529 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008766697 206224138 /nfs/dbraw/zinc/22/41/38/206224138.db2.gz QBFPOZZCTWTWAE-NQIIRXRSSA-N 0 0 395.934 6.081 50 0 GKAARN CCn1ccnc1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1Cl ZINC000097272577 206225639 /nfs/dbraw/zinc/22/56/39/206225639.db2.gz WULRLTJONVXUGX-QHCPKHFHSA-N 0 0 390.918 5.185 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)Oc1ccc(-c2ccccc2)c(Cl)c1 ZINC000004759352 206227205 /nfs/dbraw/zinc/22/72/05/206227205.db2.gz ODXYWQISIDWFQM-UHFFFAOYSA-N 0 0 392.669 6.925 50 0 GKAARN Cc1ccc(NC(=O)/C=C/c2sc3ccccc3c2Br)c(C)c1 ZINC000004542803 206227579 /nfs/dbraw/zinc/22/75/79/206227579.db2.gz VAQYXTLGFZUMPK-MDZDMXLPSA-N 0 0 386.314 5.933 50 0 GKAARN COc1ccccc1OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002984509 206212427 /nfs/dbraw/zinc/21/24/27/206212427.db2.gz LEQWOHQSMSYVBI-UHFFFAOYSA-N 0 0 389.838 5.783 50 0 GKAARN O=CNc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000001404996 206212455 /nfs/dbraw/zinc/21/24/55/206212455.db2.gz OAQHFONYWBGXQE-UHFFFAOYSA-N 0 0 398.850 5.024 50 0 GKAARN Cc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccco3)n2)cc1 ZINC000001406749 206212909 /nfs/dbraw/zinc/21/29/09/206212909.db2.gz USTYBENRPDJSHE-UHFFFAOYSA-N 0 0 375.375 5.583 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)Nc2ccc(C)cc2)C1(C)C ZINC000003765647 206213718 /nfs/dbraw/zinc/21/37/18/206213718.db2.gz GOOCBQVMSVBIRG-KNQAVFIVSA-N 0 0 375.516 5.736 50 0 GKAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1cc(C)ccc1C ZINC000010700579 211670525 /nfs/dbraw/zinc/67/05/25/211670525.db2.gz BMMJLFOLCONNLI-UHFFFAOYSA-N 0 0 393.508 5.390 50 0 GKAARN O=[S@@](Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1cccc2ccccc21 ZINC000170643310 211665764 /nfs/dbraw/zinc/66/57/64/211665764.db2.gz XBEKLFPFDSGIBR-RUZDIDTESA-N 0 0 389.307 5.243 50 0 GKAARN Cn1c2ccccc2c([C@H]2CCC(=O)N2Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000334162970 206255650 /nfs/dbraw/zinc/25/56/50/206255650.db2.gz KQBNAZLIIOEHPW-HSZRJFAPSA-N 0 0 398.481 5.848 50 0 GKAARN c1csc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccncc3)C2)c1 ZINC000028707495 206256128 /nfs/dbraw/zinc/25/61/28/206256128.db2.gz PPKPILYWRLEESI-LJQANCHMSA-N 0 0 388.521 5.622 50 0 GKAARN COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccs3)C[C@@H]21 ZINC000169685732 211639964 /nfs/dbraw/zinc/63/99/64/211639964.db2.gz ZVIHSYJZHVTOGN-UWJYYQICSA-N 0 0 398.434 5.277 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000169685691 211639561 /nfs/dbraw/zinc/63/95/61/211639561.db2.gz PDIFNMVVWOTYIZ-CVDCTZTESA-N 0 0 392.430 5.368 50 0 GKAARN O=C(c1cc2cc(Cl)cc(Cl)c2o1)c1ccc(OC(F)(F)F)cc1 ZINC000001043376 211610227 /nfs/dbraw/zinc/61/02/27/211610227.db2.gz ILYUSEDHPAWFCA-UHFFFAOYSA-N 0 0 375.129 5.869 50 0 GKAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1 ZINC000008427761 211597758 /nfs/dbraw/zinc/59/77/58/211597758.db2.gz REDBWJQZQSXPQJ-UHFFFAOYSA-N 0 0 380.447 5.653 50 0 GKAARN CSCc1c2ccccc2oc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007779115 211589449 /nfs/dbraw/zinc/58/94/49/211589449.db2.gz VZXNMTSHHXEQPD-NSDYXAQKSA-N 0 0 383.557 5.631 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000007801521 211589466 /nfs/dbraw/zinc/58/94/66/211589466.db2.gz FXZNFEAGMAQMMQ-UHFFFAOYSA-N 0 0 383.822 5.327 50 0 GKAARN CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cccc(O)c3)C[C@H]21 ZINC000007596956 211586224 /nfs/dbraw/zinc/58/62/24/211586224.db2.gz ZDIFSHYDPSLJQN-DENIHFKCSA-N 0 0 392.480 5.095 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000252693164 206282172 /nfs/dbraw/zinc/28/21/72/206282172.db2.gz BGSWILYBWIQYKQ-KBAYWNPVSA-N 0 0 394.555 5.536 50 0 biogenic GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000005861335 211572186 /nfs/dbraw/zinc/57/21/86/211572186.db2.gz XHCWXKRYZACRFO-SFGWALBWSA-N 0 0 399.531 5.038 50 0 GKAARN CC[C@@H](C(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000006449977 211577429 /nfs/dbraw/zinc/57/74/29/211577429.db2.gz PYLCBZHFMZEHPF-JOCHJYFZSA-N 0 0 389.451 5.154 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000006306132 211575991 /nfs/dbraw/zinc/57/59/91/211575991.db2.gz SNQCSWGZOJOERZ-UHFFFAOYSA-N 0 0 380.469 5.089 50 0 GKAARN Cc1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000005446946 211568629 /nfs/dbraw/zinc/56/86/29/211568629.db2.gz IJXLTHIJBNOTCS-UHFFFAOYSA-N 0 0 389.539 5.789 50 0 GKAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000005485214 211567458 /nfs/dbraw/zinc/56/74/58/211567458.db2.gz OIXXSQQCKYEDEX-LJQANCHMSA-N 0 0 397.515 5.447 50 0 GKAARN O=C(c1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 ZINC000005265169 211563886 /nfs/dbraw/zinc/56/38/86/211563886.db2.gz DGWKEJQGCPSXKD-UHFFFAOYSA-N 0 0 397.862 5.331 50 0 GKAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)Nc1cccc(Cl)c1 ZINC000004305418 211538404 /nfs/dbraw/zinc/53/84/04/211538404.db2.gz TUGNRGJDNPALDQ-IBGZPJMESA-N 0 0 397.931 5.327 50 0 GKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3C)cc21 ZINC000000623650 206290441 /nfs/dbraw/zinc/29/04/41/206290441.db2.gz ABIFRDKFCRJVNX-UHFFFAOYSA-N 0 0 389.245 5.178 50 0 GKAARN CC(C)C(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078412 211530714 /nfs/dbraw/zinc/53/07/14/211530714.db2.gz YVQDQHGKPJWUAQ-UHFFFAOYSA-N 0 0 395.572 5.195 50 0 GKAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cc2ccccc2)cc1 ZINC000004075710 211529597 /nfs/dbraw/zinc/52/95/97/211529597.db2.gz PQLLDMOZDXFVRB-UHFFFAOYSA-N 0 0 378.884 5.793 50 0 GKAARN O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(Cl)cc1Cl ZINC000004077216 211529412 /nfs/dbraw/zinc/52/94/12/211529412.db2.gz WBBVNEWJMBAVPF-UHFFFAOYSA-N 0 0 390.295 5.178 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000004070032 211528934 /nfs/dbraw/zinc/52/89/34/211528934.db2.gz YCBDZPFAOPWKMZ-UHFFFAOYSA-N 0 0 394.496 5.444 50 0 GKAARN Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C ZINC000003310333 211521430 /nfs/dbraw/zinc/52/14/30/211521430.db2.gz QOJVVTVLSHHYTI-UHFFFAOYSA-N 0 0 386.662 5.059 50 0 GKAARN Cc1nc2sc3c(c2c(Oc2cccc(Br)c2)n1)CCCC3 ZINC000003321546 211521242 /nfs/dbraw/zinc/52/12/42/211521242.db2.gz FTMUDWXJYGYTMG-UHFFFAOYSA-N 0 0 375.291 5.433 50 0 GKAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2)CSC3)c1C ZINC000003008310 211520863 /nfs/dbraw/zinc/52/08/63/211520863.db2.gz CLHBBNAVBORQSE-UHFFFAOYSA-N 0 0 383.904 5.142 50 0 GKAARN COc1ccc(-c2c(C)oc3cc(OC/C=C/c4ccccc4)ccc3c2=O)cc1 ZINC000002151712 206291650 /nfs/dbraw/zinc/29/16/50/206291650.db2.gz GVZSYMIWLKOKIJ-RMKNXTFCSA-N 0 0 398.458 5.869 50 0 biogenic GKAARN CC[C@H](C)c1ccc(Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)cc1 ZINC000002646517 211517080 /nfs/dbraw/zinc/51/70/80/211517080.db2.gz HOZNAYLKBNFYGY-ZDUSSCGKSA-N 0 0 388.483 6.977 50 0 GKAARN Cc1c2cc(Cl)cc(Cl)c2oc1-c1cc(=O)oc2cc3c(cc21)CCCC3 ZINC000002102926 206291920 /nfs/dbraw/zinc/29/19/20/206291920.db2.gz IHCZSDNDLALRNW-UHFFFAOYSA-N 0 0 399.273 6.700 50 0 biogenic GKAARN COc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3)ccc2c1=O ZINC000002100419 206292058 /nfs/dbraw/zinc/29/20/58/206292058.db2.gz KNEFCCRVNNMWJN-UHFFFAOYSA-N 0 0 388.419 5.481 50 0 biogenic GKAARN COc1ccccc1-c1coc2cc(OCc3ccccc3F)ccc2c1=O ZINC000000728012 206290838 /nfs/dbraw/zinc/29/08/38/206290838.db2.gz BUMNPRADYLMQRI-UHFFFAOYSA-N 0 0 376.383 5.187 50 0 biogenic GKAARN O=c1c2ccc(OCc3c(Cl)cccc3Cl)cc2occ1-c1ccccc1 ZINC000002253758 206292345 /nfs/dbraw/zinc/29/23/45/206292345.db2.gz SDTRXZZRYPGKQI-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 GKAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4C)cc(=O)c3c2)c1 ZINC000009660095 206294390 /nfs/dbraw/zinc/29/43/90/206294390.db2.gz JPLHXBXTWSBVKR-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 biogenic GKAARN CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C3CC3)c2c1 ZINC000006758263 206295438 /nfs/dbraw/zinc/29/54/38/206295438.db2.gz TXPGIZDNVTYUJL-UHFFFAOYSA-N 0 0 387.435 5.678 50 0 GKAARN CC(=C\c1ccccc1)/C=C1/CCn2c1nc1cc(C(F)(F)F)ccc1c2=O ZINC000096402142 206300307 /nfs/dbraw/zinc/30/03/07/206300307.db2.gz BBKNIKCOTPMDBG-YUTYINLDSA-N 0 0 382.385 5.306 50 0 GKAARN O[C@@H](CNc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626543 206309995 /nfs/dbraw/zinc/30/99/95/206309995.db2.gz UXYYNDQCQZYLNX-KRWDZBQOSA-N 0 0 385.294 5.574 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000000641266 206310309 /nfs/dbraw/zinc/31/03/09/206310309.db2.gz HXHWORQGYGYXOH-UHFFFAOYSA-N 0 0 379.070 5.626 50 0 GKAARN C[C@H](c1ccco1)N(C(=O)COc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000000636502 206310516 /nfs/dbraw/zinc/31/05/16/206310516.db2.gz LYAGAPVAVBYRTA-CYBMUJFWSA-N 0 0 391.254 5.155 50 0 GKAARN CC(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(C)=O)cc3)c2)cc1 ZINC000000639455 206310687 /nfs/dbraw/zinc/31/06/87/206310687.db2.gz NWOLWTNLKLLJKU-UHFFFAOYSA-N 0 0 376.412 5.188 50 0 GKAARN CCc1cc2c(C)c(CC)c(=O)oc2cc1OCC(=O)c1ccc(Cl)cc1 ZINC000000641714 206310818 /nfs/dbraw/zinc/31/08/18/206310818.db2.gz ZQKPIROYLZERDO-UHFFFAOYSA-N 0 0 384.859 5.141 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Oc1cc(C)c(Br)cc1C ZINC000000640880 206311019 /nfs/dbraw/zinc/31/10/19/206311019.db2.gz KBKJYZLXMVSVOJ-UHFFFAOYSA-N 0 0 384.657 5.339 50 0 GKAARN CCOc1ccccc1Nc1nc(-c2cc3cc(OC)ccc3oc2=O)cs1 ZINC000000633703 206311206 /nfs/dbraw/zinc/31/12/06/206311206.db2.gz GRVNERQFWCADGX-UHFFFAOYSA-N 0 0 394.452 5.067 50 0 GKAARN O=C1c2ccccc2N[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 ZINC000000643243 206311685 /nfs/dbraw/zinc/31/16/85/206311685.db2.gz JNDRUYPSMYLRNW-QFIPXVFZSA-N 0 0 385.854 5.659 50 0 GKAARN CC[C@H](C)n1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000034871902 206311821 /nfs/dbraw/zinc/31/18/21/206311821.db2.gz YOPOQRQJAOPJCW-KVMVOAJRSA-N 0 0 393.874 5.363 50 0 GKAARN O=C(CSc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000649212 206311825 /nfs/dbraw/zinc/31/18/25/206311825.db2.gz ABFBBRICTVDANN-UHFFFAOYSA-N 0 0 379.325 5.455 50 0 GKAARN Fc1c(F)c(F)c2nc3c(cc2c1F)c(-c1ccccc1)nn3-c1ccccc1 ZINC000000642846 206311934 /nfs/dbraw/zinc/31/19/34/206311934.db2.gz WXYMQXVINBWILJ-UHFFFAOYSA-N 0 0 393.343 5.797 50 0 GKAARN O=C(Oc1ccccc1)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000000643172 206311955 /nfs/dbraw/zinc/31/19/55/206311955.db2.gz MBGQWYWTCTYNQS-UHFFFAOYSA-N 0 0 387.218 5.432 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000000647342 206312380 /nfs/dbraw/zinc/31/23/80/206312380.db2.gz AUSRNCUNKLTDLM-UHFFFAOYSA-N 0 0 390.458 5.628 50 0 GKAARN CCOc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[C@@H](CC)CC3 ZINC000000661719 206312731 /nfs/dbraw/zinc/31/27/31/206312731.db2.gz ZCOMMKPWMRMUIK-ZDUSSCGKSA-N 0 0 395.528 5.044 50 0 GKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)NCc1ccccc1Cl ZINC000000660312 206312750 /nfs/dbraw/zinc/31/27/50/206312750.db2.gz JQBQSTCZHRVLKX-UHFFFAOYSA-N 0 0 399.928 5.190 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)c3ccccc3n2)cc1 ZINC000000656062 206313355 /nfs/dbraw/zinc/31/33/55/206313355.db2.gz FJQAEABFWAHMPN-UHFFFAOYSA-N 0 0 378.475 5.803 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)s1 ZINC000000652017 206313374 /nfs/dbraw/zinc/31/33/74/206313374.db2.gz WMJMWEJUPVXOMA-UHFFFAOYSA-N 0 0 393.331 5.124 50 0 GKAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Cl)c(Cl)c1 ZINC000000656065 206313413 /nfs/dbraw/zinc/31/34/13/206313413.db2.gz XQBPFANBMBWSSL-UHFFFAOYSA-N 0 0 385.222 5.647 50 0 GKAARN Cc1sc(NC(=S)NC(=O)c2ccco2)nc1-c1ccc(CC(C)C)cc1 ZINC000000654401 206313481 /nfs/dbraw/zinc/31/34/81/206313481.db2.gz XJFXOSFWVSXKEV-UHFFFAOYSA-N 0 0 399.541 5.037 50 0 GKAARN Cc1ccccc1OCCn1cc(C(=S)N2CCCCC2)c2ccccc21 ZINC000000665124 206314344 /nfs/dbraw/zinc/31/43/44/206314344.db2.gz CFQBIKWPPNIVPY-UHFFFAOYSA-N 0 0 378.541 5.190 50 0 GKAARN CCCc1ccc(-c2c(C)sc(NC(=O)c3ccco3)c2C(=O)OCC)cc1 ZINC000000668505 206314411 /nfs/dbraw/zinc/31/44/11/206314411.db2.gz DRNRGDIRYNARBP-UHFFFAOYSA-N 0 0 397.496 5.698 50 0 GKAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)C)cc3)c2C(N)=O)C1 ZINC000000668552 206314421 /nfs/dbraw/zinc/31/44/21/206314421.db2.gz GWQPZACKYRBLAI-CQSZACIVSA-N 0 0 384.545 5.128 50 0 GKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000000670502 206314866 /nfs/dbraw/zinc/31/48/66/206314866.db2.gz DBTCDFSNKQWDGP-UHFFFAOYSA-N 0 0 386.706 6.096 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Oc1ccc2ccccc2c1Br ZINC000000673879 206315031 /nfs/dbraw/zinc/31/50/31/206315031.db2.gz TWFLWUNYAUNZRE-UHFFFAOYSA-N 0 0 391.648 5.240 50 0 GKAARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1 ZINC000000677511 206315225 /nfs/dbraw/zinc/31/52/25/206315225.db2.gz 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/nfs/dbraw/zinc/31/66/68/206316668.db2.gz FJPXMCPJTKRPNJ-UHFFFAOYSA-N 0 0 384.067 5.048 50 0 GKAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N1CCCC1 ZINC000000689291 206316993 /nfs/dbraw/zinc/31/69/93/206316993.db2.gz BLDJXKGCQLHMPO-UHFFFAOYSA-N 0 0 385.294 5.753 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccco1 ZINC000000685888 206317229 /nfs/dbraw/zinc/31/72/29/206317229.db2.gz SBVNLPROMDKVPG-UHFFFAOYSA-N 0 0 375.833 5.091 50 0 GKAARN COc1cc(OC)c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1Cl ZINC000000682923 206317244 /nfs/dbraw/zinc/31/72/44/206317244.db2.gz GGNRVFSTUIUAIO-AWEZNQCLSA-N 0 0 375.896 5.298 50 0 GKAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccc(C)cc2)CCC3)cc1 ZINC000000708357 206317513 /nfs/dbraw/zinc/31/75/13/206317513.db2.gz WFNKNYLTEFVVHM-UHFFFAOYSA-N 0 0 390.508 5.358 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccccc1F ZINC000000705559 206317609 /nfs/dbraw/zinc/31/76/09/206317609.db2.gz IFGDJZISQXLZNK-UHFFFAOYSA-N 0 0 382.394 6.039 50 0 GKAARN COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c3ccccc3ccc21 ZINC000000708314 206318182 /nfs/dbraw/zinc/31/81/82/206318182.db2.gz SJBAVHNLLMFRMI-INIZCTEOSA-N 0 0 382.257 5.085 50 0 GKAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2c(C)cccc2C)n1)CCCC3 ZINC000000707014 206318340 /nfs/dbraw/zinc/31/83/40/206318340.db2.gz GLCZBTSWAVKSRM-UHFFFAOYSA-N 0 0 397.569 5.226 50 0 GKAARN Nc1c(-c2nc(-c3ccccc3)cs2)c2ccccn2c1C(=O)c1ccccc1 ZINC000000708413 206318410 /nfs/dbraw/zinc/31/84/10/206318410.db2.gz ODHNOPZGZPBZBN-UHFFFAOYSA-N 0 0 395.487 5.543 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1Br ZINC000000723732 206318897 /nfs/dbraw/zinc/31/88/97/206318897.db2.gz WYXUKHXMCDNFGC-UHFFFAOYSA-N 0 0 393.240 5.510 50 0 GKAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)c1 ZINC000000723963 206319748 /nfs/dbraw/zinc/31/97/48/206319748.db2.gz YOEDCFZDBYZXCK-UHFFFAOYSA-N 0 0 376.364 5.014 50 0 biogenic GKAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)cc1Cl ZINC000000799478 206322481 /nfs/dbraw/zinc/32/24/81/206322481.db2.gz 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206327401 /nfs/dbraw/zinc/32/74/01/206327401.db2.gz VBIUWDSUXAKVHL-UHFFFAOYSA-N 0 0 382.250 5.789 50 0 GKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000000865384 206328511 /nfs/dbraw/zinc/32/85/11/206328511.db2.gz HBJMELPAZPPYOU-UHFFFAOYSA-N 0 0 378.431 6.209 50 0 GKAARN CCOCc1ccc(N[C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000150977016 206305577 /nfs/dbraw/zinc/30/55/77/206305577.db2.gz HHZWJNIRWZZGHD-LBPRGKRZSA-N 0 0 392.286 5.753 50 0 GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)c(C)c4)c(C)c3cc12 ZINC000002149337 211513500 /nfs/dbraw/zinc/51/35/00/211513500.db2.gz YNIJWQIGLMPBFE-UHFFFAOYSA-N 0 0 389.451 5.344 50 0 biogenic GKAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1 ZINC000000885939 206331973 /nfs/dbraw/zinc/33/19/73/206331973.db2.gz JHMVYFLUOGHARM-UHFFFAOYSA-N 0 0 397.228 5.411 50 0 GKAARN COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1 ZINC000000887564 206332057 /nfs/dbraw/zinc/33/20/57/206332057.db2.gz JUDXWAZIVAGBFH-UHFFFAOYSA-N 0 0 380.513 5.208 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000000944909 206335185 /nfs/dbraw/zinc/33/51/85/206335185.db2.gz SJGLWQPVPUZHDH-XBXARRHUSA-N 0 0 385.769 5.028 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C)nc2sc3c(c21)CCC3 ZINC000000944664 206335790 /nfs/dbraw/zinc/33/57/90/206335790.db2.gz KOGBNXNTFOLAMI-UHFFFAOYSA-N 0 0 393.537 5.253 50 0 GKAARN COc1ccc(-c2csc3ncnc(Oc4cccc5cccnc54)c23)cc1 ZINC000000948523 206336684 /nfs/dbraw/zinc/33/66/84/206336684.db2.gz YTBINUHCPHZIHI-UHFFFAOYSA-N 0 0 385.448 5.707 50 0 GKAARN CCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000951254 206336738 /nfs/dbraw/zinc/33/67/38/206336738.db2.gz LNVVVOOXIYDLFQ-FOWTUZBSSA-N 0 0 387.479 5.489 50 0 GKAARN CCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000000950695 206336816 /nfs/dbraw/zinc/33/68/16/206336816.db2.gz IMHMCPWTLYNEKD-UHFFFAOYSA-N 0 0 388.803 5.391 50 0 GKAARN Cc1nc2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2s1 ZINC000000953003 206336891 /nfs/dbraw/zinc/33/68/91/206336891.db2.gz 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/nfs/dbraw/zinc/33/89/08/206338908.db2.gz PUYMCMSUSRGVNM-UHFFFAOYSA-N 0 0 375.575 5.436 50 0 GKAARN COc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1 ZINC000000991712 206339251 /nfs/dbraw/zinc/33/92/51/206339251.db2.gz YAMRAKGNPFGZPR-UHFFFAOYSA-N 0 0 388.250 6.047 50 0 GKAARN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3ccccc3n2)cc1C ZINC000000990953 206339424 /nfs/dbraw/zinc/33/94/24/206339424.db2.gz JRSSKMTZADBJTJ-UHFFFAOYSA-N 0 0 395.458 5.558 50 0 GKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000000992722 206339438 /nfs/dbraw/zinc/33/94/38/206339438.db2.gz OPWHNYOCIWQPSU-UHFFFAOYSA-N 0 0 387.460 5.311 50 0 aggregator GKAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1cc(Cl)nc2ccccc21 ZINC000000991896 206339594 /nfs/dbraw/zinc/33/95/94/206339594.db2.gz NJMICPMHWKHCRJ-UHFFFAOYSA-N 0 0 387.822 5.338 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c(C)cccc23)cc1 ZINC000000991111 206339604 /nfs/dbraw/zinc/33/96/04/206339604.db2.gz VWNZURHPVYJLLN-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)c3cc(C)ccc3n2)cc1 ZINC000000991109 206339642 /nfs/dbraw/zinc/33/96/42/206339642.db2.gz GHRLBTIWURSBHZ-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000000989574 206339929 /nfs/dbraw/zinc/33/99/29/206339929.db2.gz YOQGKJSUKINVBM-UHFFFAOYSA-N 0 0 386.451 5.708 50 0 GKAARN O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000000992717 206340083 /nfs/dbraw/zinc/34/00/83/206340083.db2.gz UUVRDTSUYWSXOX-UHFFFAOYSA-N 0 0 392.410 5.091 50 0 GKAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000000991705 206340179 /nfs/dbraw/zinc/34/01/79/206340179.db2.gz GCUYMMKRRVTLAH-UHFFFAOYSA-N 0 0 382.257 5.802 50 0 GKAARN CC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccc(C)c(C)c4)c32)c1 ZINC000001004579 206340461 /nfs/dbraw/zinc/34/04/61/206340461.db2.gz YBSOARPGHRKYCK-UHFFFAOYSA-N 0 0 389.480 5.726 50 0 GKAARN COC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000000998880 206340849 /nfs/dbraw/zinc/34/08/49/206340849.db2.gz 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206341416 /nfs/dbraw/zinc/34/14/16/206341416.db2.gz WXSMPQVNAJHCGM-ROUUACIJSA-N 0 0 388.511 5.419 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C)cc3)c2C)cc1 ZINC000000997041 206341444 /nfs/dbraw/zinc/34/14/44/206341444.db2.gz IZOAXQOKBROAFV-UHFFFAOYSA-N 0 0 382.463 5.780 50 0 GKAARN Cc1cccc2c1N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2 ZINC000001024763 206342042 /nfs/dbraw/zinc/34/20/42/206342042.db2.gz CYVABWCUCJYDGE-UHFFFAOYSA-N 0 0 387.323 5.626 50 0 GKAARN Cc1ccc(Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 ZINC000001017799 206342618 /nfs/dbraw/zinc/34/26/18/206342618.db2.gz ZHWLYDIPNMBASP-UHFFFAOYSA-N 0 0 385.492 6.114 50 0 GKAARN O=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000001029968 206343047 /nfs/dbraw/zinc/34/30/47/206343047.db2.gz UCBXFYUXJKITGU-UHFFFAOYSA-N 0 0 377.135 5.251 50 0 GKAARN COc1ccc(C(F)(F)F)cc1-n1ccc(-c2ccc(C)cc2)nc1=S ZINC000001032876 206343052 /nfs/dbraw/zinc/34/30/52/206343052.db2.gz RAQVLKJFHLSOMG-UHFFFAOYSA-N 0 0 376.403 5.605 50 0 GKAARN CC(C)(C)c1ccccc1NC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000001030452 206343057 /nfs/dbraw/zinc/34/30/57/206343057.db2.gz HJTKVQCQEAINDN-UHFFFAOYSA-N 0 0 387.455 6.030 50 0 GKAARN Cc1onc(-c2ccccc2)c1NC(=O)NCc1csc(-c2cccs2)n1 ZINC000001033326 206343099 /nfs/dbraw/zinc/34/30/99/206343099.db2.gz OQYXQPDXBNHRBN-UHFFFAOYSA-N 0 0 396.497 5.157 50 0 GKAARN O=C(Nc1ccccc1)O[C@@H]1c2cc(Cl)ccc2OC(=O)N1c1ccccc1 ZINC000001037860 206344006 /nfs/dbraw/zinc/34/40/06/206344006.db2.gz YHRKFQVYDOJYTH-LJQANCHMSA-N 0 0 394.814 5.606 50 0 GKAARN C[C@H](NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001041776 206344367 /nfs/dbraw/zinc/34/43/67/206344367.db2.gz HGXKXDKNVTYHMG-HNNXBMFYSA-N 0 0 382.916 6.180 50 0 GKAARN O=C(Nc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)c1ccccc1O ZINC000001041843 206344380 /nfs/dbraw/zinc/34/43/80/206344380.db2.gz RZFASUSBVPHIMK-UHFFFAOYSA-N 0 0 397.887 5.107 50 0 GKAARN FC(F)(F)c1cc(-c2ccc3c(c2)CCC3)nc2cc(-c3cccs3)nn21 ZINC000001040255 206344994 /nfs/dbraw/zinc/34/49/94/206344994.db2.gz 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/nfs/dbraw/zinc/36/71/67/206367167.db2.gz XBXWMNSHEPJEIG-UHFFFAOYSA-N 0 0 383.451 5.256 50 0 GKAARN Cc1ccc(CSc2nnc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000001212462 206367367 /nfs/dbraw/zinc/36/73/67/206367367.db2.gz CPHICDTXOIHTMV-UHFFFAOYSA-N 0 0 375.291 5.408 50 0 GKAARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2ccccc2c1 ZINC000001208325 206367412 /nfs/dbraw/zinc/36/74/12/206367412.db2.gz CMBNUIQHOJRGNI-UHFFFAOYSA-N 0 0 382.394 6.039 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(Cl)ccc1C ZINC000001217343 206367433 /nfs/dbraw/zinc/36/74/33/206367433.db2.gz OXNMWXTYHZLPMW-UHFFFAOYSA-N 0 0 395.673 6.171 50 0 GKAARN Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1ccccc1 ZINC000001209977 206367505 /nfs/dbraw/zinc/36/75/05/206367505.db2.gz DSMIRFSOOFQMQC-UHFFFAOYSA-N 0 0 380.447 5.653 50 0 GKAARN O=C(Nc1nc2ccc(Br)cc2s1)Nc1cccc(Cl)c1 ZINC000001217537 206367635 /nfs/dbraw/zinc/36/76/35/206367635.db2.gz NYQVATVJHFBCOA-UHFFFAOYSA-N 0 0 382.670 5.356 50 0 GKAARN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3ccccc3)c2cc1OC 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O=C(CSc1ccccn1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001240870 206370427 /nfs/dbraw/zinc/37/04/27/206370427.db2.gz ZNHNHEGXRUUWTL-UHFFFAOYSA-N 0 0 387.464 5.134 50 0 GKAARN Cc1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000001749587 206390998 /nfs/dbraw/zinc/39/09/98/206390998.db2.gz MVGJSCPEJSOJOG-UHFFFAOYSA-N 0 0 378.975 6.085 50 0 GKAARN CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001768319 206391292 /nfs/dbraw/zinc/39/12/92/206391292.db2.gz PSBWAFNPSSLSDF-UHFFFAOYSA-N 0 0 394.780 5.827 50 0 GKAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc2ccccc21 ZINC000001772974 206391571 /nfs/dbraw/zinc/39/15/71/206391571.db2.gz OUNZKKZVAUHKCQ-UHFFFAOYSA-N 0 0 390.870 6.270 50 0 GKAARN CCCCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 ZINC000001770948 206391820 /nfs/dbraw/zinc/39/18/20/206391820.db2.gz FQQLKXYRMHBOSK-UHFFFAOYSA-N 0 0 396.792 6.311 50 0 GKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 ZINC000001850376 206393395 /nfs/dbraw/zinc/39/33/95/206393395.db2.gz 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ZINC000001910566 206395026 /nfs/dbraw/zinc/39/50/26/206395026.db2.gz QZDXEMVRNNNZGI-UHFFFAOYSA-N 0 0 389.923 5.752 50 0 GKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C[C@@H](C)CC2 ZINC000001904874 206395037 /nfs/dbraw/zinc/39/50/37/206395037.db2.gz GLIJSWFQVFZFEG-ZDUSSCGKSA-N 0 0 385.529 5.209 50 0 GKAARN CCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 ZINC000002026351 206395336 /nfs/dbraw/zinc/39/53/36/206395336.db2.gz CQLAOYNLLAATJV-UHFFFAOYSA-N 0 0 388.507 6.840 50 0 biogenic GKAARN CCCCCC(=O)NC(=S)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C ZINC000002052131 206395556 /nfs/dbraw/zinc/39/55/56/206395556.db2.gz RIZWEHQWRQEFGA-UHFFFAOYSA-N 0 0 395.528 5.505 50 0 GKAARN O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(Cl)cc1 ZINC000001977903 206395823 /nfs/dbraw/zinc/39/58/23/206395823.db2.gz VNCAHARNQVVZPR-UHFFFAOYSA-N 0 0 376.795 5.333 50 0 GKAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002049961 206396083 /nfs/dbraw/zinc/39/60/83/206396083.db2.gz ZIDQJMBFODKMLP-UHFFFAOYSA-N 0 0 397.349 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/nfs/dbraw/zinc/39/77/37/206397737.db2.gz FOQSHZYYKGLIPT-NSHDSACASA-N 0 0 378.514 5.018 50 0 GKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1sc2cc(Cl)ccc2c1Cl ZINC000002064030 206397743 /nfs/dbraw/zinc/39/77/43/206397743.db2.gz BLGKMVGBWZHGTP-UHFFFAOYSA-N 0 0 391.106 6.767 50 0 GKAARN CCCOc1c(Cl)cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1OCC ZINC000002082195 206398004 /nfs/dbraw/zinc/39/80/04/206398004.db2.gz VUEFJFHSRIKSSQ-LDADJPATSA-N 0 0 399.874 5.180 50 0 GKAARN FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)sc1-c1ccccc1 ZINC000002096076 206398021 /nfs/dbraw/zinc/39/80/21/206398021.db2.gz ZYTGBPMJCCKMCA-UHFFFAOYSA-N 0 0 389.229 6.879 50 0 GKAARN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000002079823 206398263 /nfs/dbraw/zinc/39/82/63/206398263.db2.gz XKQATWOBAINZHB-UHFFFAOYSA-N 0 0 386.882 6.370 50 0 GKAARN COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1 ZINC000002093994 206398501 /nfs/dbraw/zinc/39/85/01/206398501.db2.gz CHUKRXYJXWSOAB-UHFFFAOYSA-N 0 0 381.903 6.157 50 0 GKAARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 ZINC000002093171 206398512 /nfs/dbraw/zinc/39/85/12/206398512.db2.gz BWLXWBUHYSAAJX-UHFFFAOYSA-N 0 0 398.506 6.661 50 0 GKAARN CC(C)CN(CC(C)C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002092922 206398517 /nfs/dbraw/zinc/39/85/17/206398517.db2.gz FVQGRICBPWZBPI-UHFFFAOYSA-N 0 0 394.946 6.309 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(CC)c3)c3ccccc3n2)cc1 ZINC000002082453 206398535 /nfs/dbraw/zinc/39/85/35/206398535.db2.gz WZXBMDQDQMSAOR-UHFFFAOYSA-N 0 0 396.490 6.115 50 0 GKAARN COc1ccc2c(c1)-c1c(=S)n(-c3cc(C)cc(C)c3)sc1C(C)(C)N2 ZINC000002092173 206398555 /nfs/dbraw/zinc/39/85/55/206398555.db2.gz DRFMKWQVWWMDTN-UHFFFAOYSA-N 0 0 382.554 6.221 50 0 GKAARN CC(C)(C)c1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000002088355 206398705 /nfs/dbraw/zinc/39/87/05/206398705.db2.gz SOKQFVQSPZFDHK-UHFFFAOYSA-N 0 0 398.481 6.591 50 0 GKAARN CCCOc1cccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c1 ZINC000002089655 206398784 /nfs/dbraw/zinc/39/87/84/206398784.db2.gz URJFKCVPLDIHCE-UHFFFAOYSA-N 0 0 388.511 5.753 50 0 GKAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccc4ccccc4c3)c2c1 ZINC000002079381 206398876 /nfs/dbraw/zinc/39/88/76/206398876.db2.gz GQPUSPHSUALYIR-UHFFFAOYSA-N 0 0 389.454 6.583 50 0 GKAARN CC(C)=CCC/C(C)=C/COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000002134480 206399188 /nfs/dbraw/zinc/39/91/88/206399188.db2.gz JOVVKIFTXVIETF-XDJHFCHBSA-N 0 0 388.507 6.840 50 0 GKAARN Cc1cccc(NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccc(C)cc32)c1 ZINC000002111458 206399366 /nfs/dbraw/zinc/39/93/66/206399366.db2.gz BVNHFXHEOKHOMU-UHFFFAOYSA-N 0 0 394.518 6.894 50 0 GKAARN CCCCc1ccc(-c2c(C)sc(NC(=O)c3ccco3)c2C(=O)OC)cc1 ZINC000002102039 206399378 /nfs/dbraw/zinc/39/93/78/206399378.db2.gz YYXZWMOTBQBLLT-UHFFFAOYSA-N 0 0 397.496 5.698 50 0 GKAARN CCOc1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002106017 206399515 /nfs/dbraw/zinc/39/95/15/206399515.db2.gz JZAYZHPGISQKNS-SFHVURJKSA-N 0 0 396.490 5.792 50 0 GKAARN CCc1ccc([C@H](C)NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000002105012 206399695 /nfs/dbraw/zinc/39/96/95/206399695.db2.gz FVJUVUIMXKCMPJ-MBSDFSHPSA-N 0 0 375.537 5.960 50 0 GKAARN Cc1cc(Oc2nc3c(cc(Cl)cc3Cl)s2)c2cc(Cl)ccc2n1 ZINC000002157283 206401080 /nfs/dbraw/zinc/40/10/80/206401080.db2.gz ALQXJCLXVUQDAF-UHFFFAOYSA-N 0 0 395.698 6.905 50 0 GKAARN CCCOc1ccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1 ZINC000002240295 206404329 /nfs/dbraw/zinc/40/43/29/206404329.db2.gz AZGRLFOBYIOXIY-UHFFFAOYSA-N 0 0 388.826 5.484 50 0 GKAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)C)cc1)Nc1ccccc1-2 ZINC000002472657 206418847 /nfs/dbraw/zinc/41/88/47/206418847.db2.gz WHINTWVGUOTCJI-FQEVSTJZSA-N 0 0 392.528 5.667 50 0 GKAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000002286594 206406709 /nfs/dbraw/zinc/40/67/09/206406709.db2.gz ZAIFGMLJNNCFBS-ZDUSSCGKSA-N 0 0 384.570 5.569 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1)Cc1ccc(OC)cc1 ZINC000002297726 206406932 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206658286 /nfs/dbraw/zinc/65/82/86/206658286.db2.gz FBIBHSOHGUQHOY-UHFFFAOYSA-N 0 0 393.899 5.250 50 0 GKAARN COc1ccc(N(Cc2ccccc2C)S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000096514035 211342932 /nfs/dbraw/zinc/34/29/32/211342932.db2.gz SAADVGNFSAYBPT-MSUUIHNZSA-N 0 0 393.508 5.011 50 0 GKAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C)cc2s1 ZINC000096399592 211342013 /nfs/dbraw/zinc/34/20/13/211342013.db2.gz KFLHKMKJBYNXFX-UHFFFAOYSA-N 0 0 398.962 5.171 50 0 GKAARN Cc1cccc(OC(F)F)c1NC(=O)/C=C\c1ccc(Br)s1 ZINC000096402692 211341398 /nfs/dbraw/zinc/34/13/98/211341398.db2.gz BUAFEJAMYXDALX-VURMDHGXSA-N 0 0 388.233 5.072 50 0 GKAARN Cc1ccc(NC(=O)NCc2c3ccccc3n(C)c2-c2cccs2)cc1F ZINC000096399110 211341084 /nfs/dbraw/zinc/34/10/84/211341084.db2.gz MPUMMIBZCBFPSS-UHFFFAOYSA-N 0 0 393.487 5.676 50 0 GKAARN Cn1c2ccccc2c(CNC(=O)Nc2ccc(F)cc2F)c1-c1cccs1 ZINC000096399117 211341093 /nfs/dbraw/zinc/34/10/93/211341093.db2.gz ATNMQVQJKPUZKM-UHFFFAOYSA-N 0 0 397.450 5.507 50 0 GKAARN CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(OC)cc4)n3)cc2)cc1 ZINC000006656165 206660271 /nfs/dbraw/zinc/66/02/71/206660271.db2.gz ZHOQUTNJGPAJGY-UHFFFAOYSA-N 0 0 398.506 6.812 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000006653500 206660311 /nfs/dbraw/zinc/66/03/11/206660311.db2.gz GSDGHSAUTSKDDN-NRFANRHFSA-N 0 0 395.462 5.331 50 0 GKAARN CC(=O)c1oc2ccccc2c1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000097103614 211357051 /nfs/dbraw/zinc/35/70/51/211357051.db2.gz CMSRIVJKPLIWJC-UHFFFAOYSA-N 0 0 392.386 5.001 50 0 GKAARN Cc1ccc(-n2cc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1C ZINC000096324345 211334858 /nfs/dbraw/zinc/33/48/58/211334858.db2.gz VMDDZEXMJZVNJA-UHFFFAOYSA-N 0 0 393.446 5.325 50 0 GKAARN CCCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1ccc(Cl)cc1 ZINC000006736137 206668346 /nfs/dbraw/zinc/66/83/46/206668346.db2.gz FCVSLIMHAZPUAX-NRFANRHFSA-N 0 0 396.962 6.212 50 0 GKAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC000096293586 211331631 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Cc1ccc(-c2nc(NC(=O)c3cnc([C@@H]4CCCO4)s3)sc2C)s1 ZINC000095976507 211290954 /nfs/dbraw/zinc/29/09/54/211290954.db2.gz BCHLACXCHZUEKL-NSHDSACASA-N 0 0 391.543 5.049 50 0 GKAARN Cc1c(C(=O)Nc2cc(Cl)c(Cl)cn2)sc2nc(C3CC3)nc(C)c12 ZINC000095962650 211289284 /nfs/dbraw/zinc/28/92/84/211289284.db2.gz KNDKBUAWWGPSIF-UHFFFAOYSA-N 0 0 393.299 5.140 50 0 GKAARN CCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)cc2C)cc1 ZINC000006835796 206684055 /nfs/dbraw/zinc/68/40/55/206684055.db2.gz DQOMECMGAPDRNH-JOCHJYFZSA-N 0 0 382.529 5.211 50 0 GKAARN Cc1cccc(CSc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000006838680 206684005 /nfs/dbraw/zinc/68/40/05/206684005.db2.gz MHUGVNQGHKBLAU-UHFFFAOYSA-N 0 0 399.585 5.294 50 0 GKAARN CCCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccccc1OC ZINC000006837944 206684426 /nfs/dbraw/zinc/68/44/26/206684426.db2.gz WNZIWLLCJLLGOV-OAQYLSRUSA-N 0 0 392.543 5.567 50 0 GKAARN O=C1CS[C@@H](c2ccc(F)c(Cl)c2)c2cnn(Cc3ccccc3)c2N1 ZINC000095479247 211248871 /nfs/dbraw/zinc/24/88/71/211248871.db2.gz 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Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000092868538 211217346 /nfs/dbraw/zinc/21/73/46/211217346.db2.gz QWCCKYKKUOFBFZ-INIZCTEOSA-N 0 0 380.414 5.195 50 0 GKAARN CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)CCO1 ZINC000089919542 211187667 /nfs/dbraw/zinc/18/76/67/211187667.db2.gz JGQPPJDXMFDHAP-UHFFFAOYSA-N 0 0 394.393 5.140 50 0 GKAARN CCC[C@H](c1ccccn1)N(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089949770 211187147 /nfs/dbraw/zinc/18/71/47/211187147.db2.gz KMMMWGRFVNPPBK-QGZVFWFLSA-N 0 0 399.844 5.166 50 0 GKAARN C[C@@H](NC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000085651176 211178650 /nfs/dbraw/zinc/17/86/50/211178650.db2.gz ZUEFXUBYXAAFDI-CQSZACIVSA-N 0 0 391.858 5.716 50 0 GKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)NCCc2ccccc2)cc1 ZINC000085808470 211178460 /nfs/dbraw/zinc/17/84/60/211178460.db2.gz BYMCHDFBVUHMSV-UHFFFAOYSA-N 0 0 383.495 5.762 50 0 GKAARN Cc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1Cl ZINC000085808088 211177754 /nfs/dbraw/zinc/17/77/54/211177754.db2.gz 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CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 ZINC000067297366 211006448 /nfs/dbraw/zinc/00/64/48/211006448.db2.gz HEHQOMOWSGFXNP-LCUIJRPUSA-N 0 0 384.435 5.316 50 0 GKAARN CCc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 ZINC000067297098 211006040 /nfs/dbraw/zinc/00/60/40/211006040.db2.gz XPGMIAOCXJLUAV-RQZHXJHFSA-N 0 0 396.490 6.097 50 0 GKAARN CCOc1ccc(-c2csc(-c3nc(-c4ccc(C)cc4C)cs3)n2)cc1 ZINC000009683121 206796616 /nfs/dbraw/zinc/79/66/16/206796616.db2.gz YULDLKCKKKDEPB-UHFFFAOYSA-N 0 0 392.549 6.616 50 0 GKAARN C[C@@H](C[NH2+]Cc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12)c1ccccc1 ZINC000009740980 206799027 /nfs/dbraw/zinc/79/90/27/206799027.db2.gz ANAOSUSAWAYFOJ-INIZCTEOSA-N 0 0 390.508 5.284 50 0 GKAARN COc1ccc2c(c1)CCc1cc(C(=O)N[C@H](C)c3sc(C)nc3C)sc1-2 ZINC000065474828 210994303 /nfs/dbraw/zinc/99/43/03/210994303.db2.gz XUCBPAJKHJOAGM-GFCCVEGCSA-N 0 0 398.553 5.087 50 0 GKAARN COc1cccc(NC(=O)Nc2ccccc2NC(=O)c2ccccc2Cl)c1 ZINC000036709611 206801605 /nfs/dbraw/zinc/80/16/05/206801605.db2.gz 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ZINC000020329602 207188537 /nfs/dbraw/zinc/18/85/37/207188537.db2.gz KEWKBNNZJBWORL-UHFFFAOYSA-N 0 0 390.752 5.701 50 0 GKAARN CCCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1ccccc1C ZINC000020485042 207198071 /nfs/dbraw/zinc/19/80/71/207198071.db2.gz QHKGJHZNEXJICP-UHFFFAOYSA-N 0 0 377.513 5.058 50 0 GKAARN Cc1cccc2c1Oc1nc(-c3ccc(Br)cc3)[nH]c(=S)c1C2 ZINC000020380537 207190072 /nfs/dbraw/zinc/19/00/72/207190072.db2.gz SGAUXDSQDKQYQY-UHFFFAOYSA-N 0 0 385.286 5.200 50 0 GKAARN Cn1c2ccccc2nc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccs1 ZINC000020598437 207204347 /nfs/dbraw/zinc/20/43/47/207204347.db2.gz GYRFZQLAHJRTCA-QHCPKHFHSA-N 0 0 398.535 5.264 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(F)cc2)cc3C(F)F)cc1 ZINC000020602830 207205573 /nfs/dbraw/zinc/20/55/73/207205573.db2.gz DUKJXMYPGVDEOH-UHFFFAOYSA-N 0 0 383.373 5.481 50 0 GKAARN FC(F)(F)c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000020605914 207206237 /nfs/dbraw/zinc/20/62/37/207206237.db2.gz RFIAALLMCAOKHI-UNMCSNQZSA-N 0 0 394.396 5.948 50 0 GKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cccs2)cc3C(F)F)cc1 ZINC000020602872 207206326 /nfs/dbraw/zinc/20/63/26/207206326.db2.gz ACGWGSXFMJSHMB-UHFFFAOYSA-N 0 0 397.450 5.973 50 0 GKAARN CC[C@H](C)n1c2nc(-c3ccc(C)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603463 207206482 /nfs/dbraw/zinc/20/64/82/207206482.db2.gz PBCJDHLYCAZRTH-NSHDSACASA-N 0 0 375.444 5.338 50 0 GKAARN CCn1c2nc(-c3ccc(C(C)C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605659 207206673 /nfs/dbraw/zinc/20/66/73/207206673.db2.gz VUJBDAXIFBBDCV-UHFFFAOYSA-N 0 0 393.434 5.283 50 0 GKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000020615606 207206977 /nfs/dbraw/zinc/20/69/77/207206977.db2.gz JDJSWBKHNSCJIU-UHFFFAOYSA-N 0 0 389.327 5.693 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2COc2ccc(F)cc2-3)cc1 ZINC000020847436 207215100 /nfs/dbraw/zinc/21/51/00/207215100.db2.gz ITBOVTKDHSZSQM-UHFFFAOYSA-N 0 0 385.413 6.562 50 0 GKAARN Fc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2COc2ccccc2-3)cc1 ZINC000020847353 207215472 /nfs/dbraw/zinc/21/54/72/207215472.db2.gz VLJAWRXIDIOZMY-UHFFFAOYSA-N 0 0 387.841 6.768 50 0 GKAARN COc1ccc(C2=Nc3ccc4ccccc4c3N=C(c3ccccc3)N2)cc1 ZINC000020868441 207216706 /nfs/dbraw/zinc/21/67/06/207216706.db2.gz KVSHYFHTQQGHSG-UHFFFAOYSA-N 0 0 377.447 5.799 50 0 GKAARN CCOc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020853005 207216788 /nfs/dbraw/zinc/21/67/88/207216788.db2.gz PSLCMWNYXKLABJ-OAQYLSRUSA-N 0 0 389.430 5.476 50 0 GKAARN CCc1ccc(Nc2nc3c([nH]c(=S)n3-c3ccc(CC)cc3)c(C)n2)cc1 ZINC000020854057 207216906 /nfs/dbraw/zinc/21/69/06/207216906.db2.gz ASBQDMFZVLHUKB-UHFFFAOYSA-N 0 0 389.528 5.281 50 0 GKAARN COc1ccccc1NCc1ccccc1-c1nnc(-c2ccccc2Cl)o1 ZINC000020853147 207217122 /nfs/dbraw/zinc/21/71/22/207217122.db2.gz XYRXOTCMNHPWOJ-UHFFFAOYSA-N 0 0 391.858 5.678 50 0 GKAARN CC(=O)Nc1cccc(NC(=O)CCn2c(-c3ccccc3)cc3ccccc32)c1 ZINC000020720196 207211064 /nfs/dbraw/zinc/21/10/64/207211064.db2.gz LBTBJOSNGAXRBN-UHFFFAOYSA-N 0 0 397.478 5.296 50 0 GKAARN C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020763733 207214026 /nfs/dbraw/zinc/21/40/26/207214026.db2.gz SWHIWRALFXKLCU-AWEZNQCLSA-N 0 0 391.902 5.066 50 0 biogenic GKAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1 ZINC000020942509 207220650 /nfs/dbraw/zinc/22/06/50/207220650.db2.gz OFEFKLQIKGNZCI-UHFFFAOYSA-N 0 0 396.462 5.015 50 0 GKAARN Cc1ccc(CN2COc3ccc4c(-c5ccc(C)cc5)cc(=O)oc4c3C2)cc1 ZINC000020934004 207220946 /nfs/dbraw/zinc/22/09/46/207220946.db2.gz SOFPKYKJMFFPQJ-UHFFFAOYSA-N 0 0 397.474 5.429 50 0 GKAARN CCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000020984582 207222043 /nfs/dbraw/zinc/22/20/43/207222043.db2.gz VLKUDZMSIYXFPF-UHFFFAOYSA-N 0 0 398.510 5.520 50 0 GKAARN O=C(NCc1cccn1Cc1cccc(F)c1)Nc1ccccc1C(F)(F)F ZINC000020995799 207222419 /nfs/dbraw/zinc/22/24/19/207222419.db2.gz NWKZUJVKZGOUDA-UHFFFAOYSA-N 0 0 391.368 5.016 50 0 GKAARN Cc1cccc(Cn2cccc2CNC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000020995792 207222462 /nfs/dbraw/zinc/22/24/62/207222462.db2.gz GMFABUKRAQBPOO-UHFFFAOYSA-N 0 0 387.405 5.185 50 0 GKAARN Cc1ccc(CCN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000020988775 207223523 /nfs/dbraw/zinc/22/35/23/207223523.db2.gz AXVMBNYCUNOGJI-JOCHJYFZSA-N 0 0 387.458 5.106 50 0 GKAARN Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4F)c3c2c1 ZINC000021017561 207223949 /nfs/dbraw/zinc/22/39/49/207223949.db2.gz RHBYYNFDJIOIFY-UHFFFAOYSA-N 0 0 389.380 5.966 50 0 GKAARN COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)cc4)c3c2c1 ZINC000021017587 207224363 /nfs/dbraw/zinc/22/43/63/207224363.db2.gz ZLFNGMFQRDGAPA-UHFFFAOYSA-N 0 0 385.854 5.903 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(NCc3ccccc3Cl)n2)cc1 ZINC000021043032 207224437 /nfs/dbraw/zinc/22/44/37/207224437.db2.gz SDBQOARQPHYJCY-UHFFFAOYSA-N 0 0 375.859 5.571 50 0 GKAARN Cc1ccc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3cc2c1 ZINC000021054119 207225922 /nfs/dbraw/zinc/22/59/22/207225922.db2.gz XYFDLLXUJKQSAZ-UHFFFAOYSA-N 0 0 386.398 6.029 50 0 GKAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2scc(-c3ccc(Cl)cc3)c2N1 ZINC000021157910 207226740 /nfs/dbraw/zinc/22/67/40/207226740.db2.gz PNGNMPFRRJKUSA-AWEZNQCLSA-N 0 0 383.856 5.271 50 0 GKAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2scc(-c3ccc(Cl)cc3)c2N1 ZINC000021157907 207227160 /nfs/dbraw/zinc/22/71/60/207227160.db2.gz PNGNMPFRRJKUSA-CQSZACIVSA-N 0 0 383.856 5.271 50 0 GKAARN Cc1cccc(Nc2nc(C(=O)Nc3cccc(C)c3C)nc3ccccc32)c1 ZINC000021156261 207227308 /nfs/dbraw/zinc/22/73/08/207227308.db2.gz ZKPKRQITQUUFBV-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN CC(C)c1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccccn2)cc1 ZINC000021149635 207227448 /nfs/dbraw/zinc/22/74/48/207227448.db2.gz WZNMXRNIENXCIE-UHFFFAOYSA-N 0 0 379.891 6.097 50 0 GKAARN CC(C)c1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)o2)c(C(C)C)c1 ZINC000021242106 207228358 /nfs/dbraw/zinc/22/83/58/207228358.db2.gz URVOLWHUCDDIEW-OAHLLOKOSA-N 0 0 395.528 5.742 50 0 GKAARN Cc1cccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000021168762 207228456 /nfs/dbraw/zinc/22/84/56/207228456.db2.gz XJDRLZUSDAHHDD-UHFFFAOYSA-N 0 0 377.488 5.304 50 0 GKAARN Cc1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)c1 ZINC000021168767 207228979 /nfs/dbraw/zinc/22/89/79/207228979.db2.gz FGRVFQALKDRJKC-UHFFFAOYSA-N 0 0 391.515 5.612 50 0 GKAARN COc1ccccc1NC(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000021357569 207229671 /nfs/dbraw/zinc/22/96/71/207229671.db2.gz FBFRXVOQDSMOSM-UHFFFAOYSA-N 0 0 386.455 5.001 50 0 GKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1ccc2c(c1)CCC2 ZINC000021358088 207229900 /nfs/dbraw/zinc/22/99/00/207229900.db2.gz PCYXSYLJXQCGPN-UHFFFAOYSA-N 0 0 396.450 5.536 50 0 GKAARN Cc1ccc(C)c(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)c1 ZINC000021530456 207231250 /nfs/dbraw/zinc/23/12/50/207231250.db2.gz FHRKMDXRNXBKSP-FQEVSTJZSA-N 0 0 390.508 5.091 50 0 GKAARN Cc1cc(F)ccc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000021538384 207231755 /nfs/dbraw/zinc/23/17/55/207231755.db2.gz OKZCDWASTIBBJG-FQEVSTJZSA-N 0 0 377.394 5.525 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000021525608 207231808 /nfs/dbraw/zinc/23/18/08/207231808.db2.gz ITPORPXETGYGRS-UHFFFAOYSA-N 0 0 385.854 5.716 50 0 GKAARN O=C(Nc1ccccc1)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1 ZINC000021891149 207242220 /nfs/dbraw/zinc/24/22/20/207242220.db2.gz MDLLSALHGXEGMA-QFIPXVFZSA-N 0 0 385.492 5.676 50 0 GKAARN CCOc1ccccc1CNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000021643044 207233390 /nfs/dbraw/zinc/23/33/90/207233390.db2.gz RRRFXNQXFDDAOS-UHFFFAOYSA-N 0 0 379.460 5.508 50 0 GKAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000021656776 207234314 /nfs/dbraw/zinc/23/43/14/207234314.db2.gz WKRFBWRNKACGNT-UHFFFAOYSA-N 0 0 387.508 5.534 50 0 GKAARN CCc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000021704882 207234565 /nfs/dbraw/zinc/23/45/65/207234565.db2.gz AJHJCEMHMVCERG-UHFFFAOYSA-N 0 0 384.483 5.555 50 0 GKAARN Cc1ccc(Cc2nnc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)o2)cc1 ZINC000021705561 207234671 /nfs/dbraw/zinc/23/46/71/207234671.db2.gz PRXLLSOFMWEUBP-UHFFFAOYSA-N 0 0 398.466 5.588 50 0 GKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)Nc1ccccc1Cl ZINC000021705434 207234827 /nfs/dbraw/zinc/23/48/27/207234827.db2.gz CTOBBXBWUDNIFV-UHFFFAOYSA-N 0 0 390.830 5.701 50 0 GKAARN CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000021708459 207235627 /nfs/dbraw/zinc/23/56/27/207235627.db2.gz YHCQTZDVKGDZEY-UHFFFAOYSA-N 0 0 379.847 5.003 50 0 GKAARN Cc1ccc(Cc2nnc(-c3ccc(NC(=O)Nc4ccc(C)cc4)cc3)o2)cc1 ZINC000021705555 207235759 /nfs/dbraw/zinc/23/57/59/207235759.db2.gz AYLPRDVVHFOFGT-UHFFFAOYSA-N 0 0 398.466 5.588 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021894858 207242373 /nfs/dbraw/zinc/24/23/73/207242373.db2.gz KZWYYPWTPZMFKI-SFHVURJKSA-N 0 0 381.479 5.048 50 0 GKAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N(c1ccccc1)c1ccccc1 ZINC000021786205 207236162 /nfs/dbraw/zinc/23/61/62/207236162.db2.gz KVTQZKKAYDPONE-UHFFFAOYSA-N 0 0 398.418 5.091 50 0 GKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccnc2)cc1 ZINC000021779746 207236591 /nfs/dbraw/zinc/23/65/91/207236591.db2.gz RLYLYFUFRZDWTQ-HSZRJFAPSA-N 0 0 382.467 5.051 50 0 GKAARN Cc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)c1C ZINC000021787697 207237935 /nfs/dbraw/zinc/23/79/35/207237935.db2.gz JPNOCWGOFCWPKO-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2)cc1 ZINC000021879923 207240898 /nfs/dbraw/zinc/24/08/98/207240898.db2.gz ZTGZNTHVQLZJEK-XMMPIXPASA-N 0 0 397.478 5.356 50 0 GKAARN Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C(C)C)cc1Cl ZINC000021889650 207240914 /nfs/dbraw/zinc/24/09/14/207240914.db2.gz SFQUSCPTTKLUNV-QFIPXVFZSA-N 0 0 393.918 6.184 50 0 GKAARN CSc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC(C)C)cc1 ZINC000021889529 207241078 /nfs/dbraw/zinc/24/10/78/207241078.db2.gz HEGJQDSBRUPSDH-JOCHJYFZSA-N 0 0 391.540 5.222 50 0 GKAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Nc2ccccc2F)cc1 ZINC000021879824 207241153 /nfs/dbraw/zinc/24/11/53/207241153.db2.gz JQQANTJQMXQIMT-XMMPIXPASA-N 0 0 399.469 5.795 50 0 GKAARN O=c1cc(C(F)(F)F)c2ccc(OCc3cc(-c4cccs4)on3)cc2o1 ZINC000022082112 207247491 /nfs/dbraw/zinc/24/74/91/207247491.db2.gz LEFYTCNZSDDTIS-UHFFFAOYSA-N 0 0 393.342 5.107 50 0 GKAARN O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1cccc(Cl)c1 ZINC000022458450 207253582 /nfs/dbraw/zinc/25/35/82/207253582.db2.gz NFVPMOLJTNGTHM-UHFFFAOYSA-N 0 0 381.844 5.371 50 0 GKAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1)c1cccs1 ZINC000022131786 207248781 /nfs/dbraw/zinc/24/87/81/207248781.db2.gz IJNSAEMARGLSJN-MRXNPFEDSA-N 0 0 382.510 5.039 50 0 GKAARN CCCC[C@H](CC)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022337724 207252709 /nfs/dbraw/zinc/25/27/09/207252709.db2.gz ZEYDZSKQCBPYCX-QHCPKHFHSA-N 0 0 377.572 6.351 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1-c1ccccc1 ZINC000021914699 207242536 /nfs/dbraw/zinc/24/25/36/207242536.db2.gz VSSGEVUZLLBVAX-UHFFFAOYSA-N 0 0 390.874 5.227 50 0 GKAARN Cc1cccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2c2ccccc2)c1 ZINC000021890932 207242632 /nfs/dbraw/zinc/24/26/32/207242632.db2.gz KLYRAVWUZJHZSM-VWLOTQADSA-N 0 0 393.490 5.923 50 0 GKAARN COc1ccccc1C(=O)Nc1cc(-c2cccc(C)c2)nn1-c1ccccc1 ZINC000021944845 207242940 /nfs/dbraw/zinc/24/29/40/207242940.db2.gz AIVXBUXZLFQAOK-UHFFFAOYSA-N 0 0 383.451 5.109 50 0 GKAARN CCC[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1cccs1 ZINC000021935269 207243665 /nfs/dbraw/zinc/24/36/65/207243665.db2.gz NNHXXDZXARHYDQ-HXUWFJFHSA-N 0 0 387.508 5.630 50 0 GKAARN O=C(Nc1c(F)cccc1F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022621228 207257945 /nfs/dbraw/zinc/25/79/45/207257945.db2.gz UETZVHGCRWQFGI-UHFFFAOYSA-N 0 0 398.375 5.470 50 0 GKAARN O=C(Nc1ccc(F)cc1F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022620342 207258151 /nfs/dbraw/zinc/25/81/51/207258151.db2.gz KKPXOMHQRVPKNZ-UHFFFAOYSA-N 0 0 398.375 5.470 50 0 GKAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(N(C)C3CCCCC3)nc3ccccc32)C1 ZINC000022635674 207258196 /nfs/dbraw/zinc/25/81/96/207258196.db2.gz DRXYTAUFOVOMIM-ROUUACIJSA-N 0 0 379.548 5.122 50 0 GKAARN O=C(N1CCc2ccccc2[C@@H]1c1ccccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000022656067 207258299 /nfs/dbraw/zinc/25/82/99/207258299.db2.gz GKDNCKBRIUXICI-YSRWDZFWSA-N 0 0 389.514 5.516 50 0 GKAARN C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1)CC(C)(C)C ZINC000022629765 207258636 /nfs/dbraw/zinc/25/86/36/207258636.db2.gz OGNSQNINJZGSJN-GAJHUEQPSA-N 0 0 383.963 6.277 50 0 GKAARN COc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn32)cc1 ZINC000023114963 207268183 /nfs/dbraw/zinc/26/81/83/207268183.db2.gz SKUWFDKYUGHMHD-UHFFFAOYSA-N 0 0 398.388 5.476 50 0 GKAARN CC(C)c1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000023056799 207268621 /nfs/dbraw/zinc/26/86/21/207268621.db2.gz HUQWYCLMUBFMAQ-MRXNPFEDSA-N 0 0 380.463 5.414 50 0 GKAARN COc1cccc(-c2nc(C(=O)Nc3c(C)cc(C)cc3C)cs2)c1OC ZINC000023074452 207269038 /nfs/dbraw/zinc/26/90/38/207269038.db2.gz INECEJJWUOCJFC-UHFFFAOYSA-N 0 0 382.485 5.005 50 0 GKAARN FC(F)(F)c1cccc([C@@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)c1 ZINC000023232533 207271490 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CCCCC(=O)Nc1cc(-c2onc3c2CCc2ccccc2-3)ccc1OC ZINC000023318733 207273001 /nfs/dbraw/zinc/27/30/01/207273001.db2.gz NQSFDVDPYYGDCJ-UHFFFAOYSA-N 0 0 376.456 5.245 50 0 GKAARN CCCCN(CCCC)c1nc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000023313654 207273114 /nfs/dbraw/zinc/27/31/14/207273114.db2.gz QFQVNXFPCPRKDX-UHFFFAOYSA-N 0 0 377.532 6.102 50 0 GKAARN CCOc1ccccc1CNC(=O)c1c(C)noc1-c1ccc(C(C)(C)C)cc1 ZINC000023313857 207273162 /nfs/dbraw/zinc/27/31/62/207273162.db2.gz DEJHTFFPELWQGV-UHFFFAOYSA-N 0 0 392.499 5.276 50 0 GKAARN CC[C@@H]1CCCCN1c1nc(-c2cccc(Cl)c2Cl)nc2ccccc21 ZINC000023330250 207273211 /nfs/dbraw/zinc/27/32/11/207273211.db2.gz YCETXNGDOHQALG-CQSZACIVSA-N 0 0 386.326 6.373 50 0 GKAARN CCCN(CC1CC1)C(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000023322968 207273222 /nfs/dbraw/zinc/27/32/22/207273222.db2.gz YECKGRXSHRXSPN-UHFFFAOYSA-N 0 0 388.511 5.563 50 0 GKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000023321853 207273248 /nfs/dbraw/zinc/27/32/48/207273248.db2.gz 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COc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c(OC)c1 ZINC000024865542 207297840 /nfs/dbraw/zinc/29/78/40/207297840.db2.gz GIKFDQSAABUEIP-UHFFFAOYSA-N 0 0 382.485 5.203 50 0 GKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(Cl)cn1 ZINC000024503383 207291789 /nfs/dbraw/zinc/29/17/89/207291789.db2.gz ZRDGUYFKXACNSB-UHFFFAOYSA-N 0 0 397.809 5.438 50 0 GKAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000024455130 207292080 /nfs/dbraw/zinc/29/20/80/207292080.db2.gz MTFDMRLZTGDNAG-GFCCVEGCSA-N 0 0 376.934 5.287 50 0 GKAARN C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccc(-c2ccccc2)cc1 ZINC000024759016 207295000 /nfs/dbraw/zinc/29/50/00/207295000.db2.gz OLGURRXUUVRKOT-GOSISDBHSA-N 0 0 397.478 5.214 50 0 GKAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc2o1 ZINC000024837377 207295576 /nfs/dbraw/zinc/29/55/76/207295576.db2.gz PPQLMKIJFUMKKC-SECBINFHSA-N 0 0 397.784 5.248 50 0 GKAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1SCc1cscn1 ZINC000024841091 207296739 /nfs/dbraw/zinc/29/67/39/207296739.db2.gz 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207304041 /nfs/dbraw/zinc/30/40/41/207304041.db2.gz GYLGIHHWJKGKGS-LJQANCHMSA-N 0 0 383.517 5.232 50 0 GKAARN O[C@H]1Cc2ccccc2-c2ccccc2[C@@H](O)Cc2ccccc2-c2ccccc21 ZINC000003075569 207313388 /nfs/dbraw/zinc/31/33/88/207313388.db2.gz VBACXCCADBDZTK-NSOVKSMOSA-N 0 0 392.498 5.886 50 0 GKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1ccc(F)cc1 ZINC000027744400 207330189 /nfs/dbraw/zinc/33/01/89/207330189.db2.gz SLFUUDNVRGXCLG-IBGZPJMESA-N 0 0 392.861 5.522 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1cccs1)c1cccc(Cl)c1 ZINC000027739963 207330508 /nfs/dbraw/zinc/33/05/08/207330508.db2.gz FGFVTQFMBQTRAY-UHFFFAOYSA-N 0 0 381.884 6.303 50 0 GKAARN CC(C)Oc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000027747050 207330810 /nfs/dbraw/zinc/33/08/10/207330810.db2.gz ULSFYZWFZYVQPI-QHCPKHFHSA-N 0 0 398.506 5.517 50 0 GKAARN Cc1cc(OCC(=O)N(Cc2ccco2)c2cccc(Cl)c2)ccc1Cl ZINC000027795731 207331772 /nfs/dbraw/zinc/33/17/72/207331772.db2.gz BNMJQINMCFDLRR-UHFFFAOYSA-N 0 0 390.266 5.507 50 0 GKAARN CCN(C(=O)COc1ccccc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027992033 207332918 /nfs/dbraw/zinc/33/29/18/207332918.db2.gz SJUGCFADYMZUAU-AREMUKBSSA-N 0 0 398.506 5.493 50 0 GKAARN CCN(C(=O)c1ccccc1)[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993273 207333294 /nfs/dbraw/zinc/33/32/94/207333294.db2.gz QTFOGPFEFBVNOT-DEOSSOPVSA-N 0 0 384.479 5.428 50 0 GKAARN Cc1ccc(C2=CS/C(=C3\SC=C(c4ccc(C)cc4)S3)S2)cc1 ZINC000003091298 207333750 /nfs/dbraw/zinc/33/37/50/207333750.db2.gz VOEYIRHXTSQGEM-VXPUYCOJSA-N 0 0 384.616 7.687 50 0 GKAARN Cc1ccc2c(c1)sc(C(=O)Nc1nc3c(s1)CC[C@@H](C)C3)c2Cl ZINC000027583432 207326655 /nfs/dbraw/zinc/32/66/55/207326655.db2.gz NSUDJCKJDBIXIA-SECBINFHSA-N 0 0 376.934 5.697 50 0 GKAARN Cc1nn2c(nc(C)cc2N[C@@H](C)c2ccccc2)c1-c1ccccc1Cl ZINC000027585564 207326733 /nfs/dbraw/zinc/32/67/33/207326733.db2.gz OLUPFJMIVLOXHE-HNNXBMFYSA-N 0 0 376.891 5.840 50 0 GKAARN Cc1nn2c(nc(C)cc2Nc2ccc(C)c(Cl)c2)c1-c1ccc(C)cc1 ZINC000027585794 207326799 /nfs/dbraw/zinc/32/67/99/207326799.db2.gz SWUYPMQAYNUTFB-UHFFFAOYSA-N 0 0 376.891 6.027 50 0 GKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc(C)cc2)c1-c1ccccc1 ZINC000027584988 207326931 /nfs/dbraw/zinc/32/69/31/207326931.db2.gz MIRKXMKGEUSDTB-UHFFFAOYSA-N 0 0 390.490 6.424 50 0 GKAARN Cc1nn2c(nc(-c3ccccc3)cc2Nc2ccc(F)cc2)c1-c1ccccc1 ZINC000027585035 207326933 /nfs/dbraw/zinc/32/69/33/207326933.db2.gz ADMRIBQVUACKKP-UHFFFAOYSA-N 0 0 394.453 6.254 50 0 GKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 ZINC000027664217 207328484 /nfs/dbraw/zinc/32/84/84/207328484.db2.gz ZFHGUFKJTKMXPI-UHFFFAOYSA-N 0 0 381.819 5.314 50 0 GKAARN Cc1ccccc1OCC(=O)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662320 207328548 /nfs/dbraw/zinc/32/85/48/207328548.db2.gz VUOFTNKCPPDJCP-UHFFFAOYSA-N 0 0 382.463 5.155 50 0 GKAARN Cc1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027662656 207328935 /nfs/dbraw/zinc/32/89/35/207328935.db2.gz WCLOFGZQXRSJSX-UHFFFAOYSA-N 0 0 394.902 5.272 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)N1C(=O)CSc2ccccc21 ZINC000028527424 207344201 /nfs/dbraw/zinc/34/42/01/207344201.db2.gz WBTFSYCKBFTUNC-UHFFFAOYSA-N 0 0 376.437 5.150 50 0 GKAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC1CCCCCC1 ZINC000040119041 207344399 /nfs/dbraw/zinc/34/43/99/207344399.db2.gz JQVNSWMEDLUTHW-UHFFFAOYSA-N 0 0 390.936 5.415 50 0 GKAARN Cc1cc(C)cc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 ZINC000028291086 207339115 /nfs/dbraw/zinc/33/91/15/207339115.db2.gz MYMCBUJHYBQSTE-UHFFFAOYSA-N 0 0 398.865 5.103 50 0 GKAARN CCCOc1ccc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 ZINC000028291361 207339524 /nfs/dbraw/zinc/33/95/24/207339524.db2.gz JTUHIMFGRWBUDM-UHFFFAOYSA-N 0 0 380.875 5.371 50 0 GKAARN CCOc1ccc(C(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)cc1 ZINC000028293602 207339680 /nfs/dbraw/zinc/33/96/80/207339680.db2.gz QHCWLKMERCWWFR-UHFFFAOYSA-N 0 0 384.838 5.120 50 0 GKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccc(F)cc1)c1ccccn1 ZINC000028293716 207339720 /nfs/dbraw/zinc/33/97/20/207339720.db2.gz DINXWEFDFDPYFP-UHFFFAOYSA-N 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ZINC000023329092 210441027 /nfs/dbraw/zinc/44/10/27/210441027.db2.gz IDJCIXWAEVRBOH-DEOSSOPVSA-N 0 0 387.498 5.911 50 0 GKAARN CCc1ccccc1SCc1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000023314776 210440373 /nfs/dbraw/zinc/44/03/73/210440373.db2.gz PHTINJYNKVGQGI-UHFFFAOYSA-N 0 0 394.392 6.895 50 0 GKAARN Clc1cc(Cl)cc(Nc2nc3ccccc3c(NC[C@H]3CCCO3)n2)c1 ZINC000041151569 208393912 /nfs/dbraw/zinc/39/39/12/208393912.db2.gz SSPWDXWALOECCN-OAHLLOKOSA-N 0 0 389.286 5.271 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H](C)CCC(C)C)cc2)c1 ZINC000023306827 210439077 /nfs/dbraw/zinc/43/90/77/210439077.db2.gz HZAFZWABOJPEND-HXUWFJFHSA-N 0 0 389.543 5.711 50 0 GKAARN O=C(CCC1CCCC1)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000023308002 210437701 /nfs/dbraw/zinc/43/77/01/210437701.db2.gz ZHQFDYBFILNAID-UHFFFAOYSA-N 0 0 377.463 5.587 50 0 GKAARN Cc1nc(COc2ccccc2C(=O)Nc2nc3ccc(F)cc3s2)cs1 ZINC000023175197 210436873 /nfs/dbraw/zinc/43/68/73/210436873.db2.gz QOLDAHHLOXYJDY-UHFFFAOYSA-N 0 0 399.472 5.032 50 0 GKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000101639527 208395513 /nfs/dbraw/zinc/39/55/13/208395513.db2.gz UGSGPKPVSMMBNV-NRFANRHFSA-N 0 0 378.472 5.728 50 0 GKAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 ZINC000022766242 210423755 /nfs/dbraw/zinc/42/37/55/210423755.db2.gz PNHSXQGCBAAJEM-UHFFFAOYSA-N 0 0 397.430 6.194 50 0 GKAARN CC(C)C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000023100122 210433785 /nfs/dbraw/zinc/43/37/85/210433785.db2.gz JQJMOSOQMHYMDH-IBGZPJMESA-N 0 0 398.453 5.456 50 0 GKAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888744 210398551 /nfs/dbraw/zinc/39/85/51/210398551.db2.gz BZJLLQIGSGPWFS-NRFANRHFSA-N 0 0 379.891 5.155 50 0 GKAARN Cc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1 ZINC000021892933 210398381 /nfs/dbraw/zinc/39/83/81/210398381.db2.gz HWCSZDIIWQHDLP-DEOSSOPVSA-N 0 0 397.478 5.194 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)C[C@H](C)CC(C)(C)C)C[C@H](CC)CC2 ZINC000022331387 210411468 /nfs/dbraw/zinc/41/14/68/210411468.db2.gz FDZHRPBDZDXHHC-LSDHHAIUSA-N 0 0 393.593 5.841 50 0 GKAARN COc1ccc(C)cc1NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1C(C)C ZINC000021889807 210399150 /nfs/dbraw/zinc/39/91/50/210399150.db2.gz LUXBHBRGMCRPJC-QHCPKHFHSA-N 0 0 389.499 5.539 50 0 GKAARN CC(C)NC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888770 210399193 /nfs/dbraw/zinc/39/91/93/210399193.db2.gz BMMUIIMPFSZVHF-NRFANRHFSA-N 0 0 379.891 5.154 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000021801080 210393186 /nfs/dbraw/zinc/39/31/86/210393186.db2.gz GTWZXQJVDIPKND-UHFFFAOYSA-N 0 0 387.874 5.065 50 0 GKAARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccc(C(C)C)cc3)no2)cc1 ZINC000021723846 210391536 /nfs/dbraw/zinc/39/15/36/210391536.db2.gz JTZJEONLWIHHJH-UHFFFAOYSA-N 0 0 381.501 5.040 50 0 GKAARN O=C1C[C@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000021728720 210391323 /nfs/dbraw/zinc/39/13/23/210391323.db2.gz YXWGBMPZJNOQKN-HXUWFJFHSA-N 0 0 399.881 5.667 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000021704940 210389591 /nfs/dbraw/zinc/38/95/91/210389591.db2.gz JOMHQOMDLPPDRD-UHFFFAOYSA-N 0 0 384.483 5.311 50 0 GKAARN COc1cccc(CNC(=O)c2cc(C)nc3c(-c4cccs4)cccc23)c1 ZINC000021705064 210389464 /nfs/dbraw/zinc/38/94/64/210389464.db2.gz MJJGHPLJARMBHM-UHFFFAOYSA-N 0 0 388.492 5.210 50 0 GKAARN Cc1oc(-c2cccc(Cl)c2)nc1CNC(=O)Nc1cccc(Cl)c1 ZINC000021635348 210388090 /nfs/dbraw/zinc/38/80/90/210388090.db2.gz MAZQGWKPLPGJSV-UHFFFAOYSA-N 0 0 376.243 5.279 50 0 GKAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c(C)c1 ZINC000021656574 210387366 /nfs/dbraw/zinc/38/73/66/210387366.db2.gz RVIOKZXLNUGSSG-UHFFFAOYSA-N 0 0 387.508 5.534 50 0 GKAARN CCOc1ccccc1CNc1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC000021643169 210387027 /nfs/dbraw/zinc/38/70/27/210387027.db2.gz ISJPMACZNQPSJI-UHFFFAOYSA-N 0 0 391.496 5.378 50 0 GKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000021879846 210396486 /nfs/dbraw/zinc/39/64/86/210396486.db2.gz XAUHDITXBHKXNN-DEOSSOPVSA-N 0 0 399.469 5.795 50 0 GKAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NCc2ccccc2)cc1 ZINC000021799365 210394048 /nfs/dbraw/zinc/39/40/48/210394048.db2.gz YWZAZNNMKFJRCQ-UHFFFAOYSA-N 0 0 396.416 5.644 50 0 GKAARN CCC1CCC(N(C(=O)c2ccc(NC(=O)c3ccco3)cc2)C2CC2)CC1 ZINC000048274757 208448529 /nfs/dbraw/zinc/44/85/29/208448529.db2.gz FSDLICZIABLVKF-UHFFFAOYSA-N 0 0 380.488 5.105 50 0 GKAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5cccc(C)c5)nn4cnc32)cc1 ZINC000021801372 210393846 /nfs/dbraw/zinc/39/38/46/210393846.db2.gz OWBUIAOAPZRUCN-UHFFFAOYSA-N 0 0 397.482 5.059 50 0 GKAARN COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl ZINC000021798080 210393687 /nfs/dbraw/zinc/39/36/87/210393687.db2.gz IIOADBXLRXZOHC-UHFFFAOYSA-N 0 0 392.890 5.189 50 0 GKAARN COc1ccc(-c2csc3ncnc(NCCc4ccc(C)cc4)c23)cc1 ZINC000021049151 210376453 /nfs/dbraw/zinc/37/64/53/210376453.db2.gz JIKKMMSKIXDPLL-UHFFFAOYSA-N 0 0 375.497 5.330 50 0 GKAARN Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1 ZINC000021524691 210383642 /nfs/dbraw/zinc/38/36/42/210383642.db2.gz MUMLHWBRAUZPAV-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN CC(C)(C)c1ccc(-c2noc(CCCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000021168756 210380689 /nfs/dbraw/zinc/38/06/89/210380689.db2.gz OFDPBAMIXXNUHB-UHFFFAOYSA-N 0 0 381.451 5.135 50 0 GKAARN O=C(c1ccccc1)[C@H](Cn1cncn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000630022 208476238 /nfs/dbraw/zinc/47/62/38/208476238.db2.gz GVZXYAMGSRDROZ-UPVQGACJSA-N 0 0 399.519 5.311 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)cc1C ZINC000000732518 208478210 /nfs/dbraw/zinc/47/82/10/208478210.db2.gz LVTCYAAXOJAKIV-UHFFFAOYSA-N 0 0 379.218 5.657 50 0 GKAARN COc1cccc2c3c(cnc12)c(-c1ccc(C)cc1)nn3-c1cccc(F)c1 ZINC000021017364 210374380 /nfs/dbraw/zinc/37/43/80/210374380.db2.gz QHSSHUYULDDDIX-UHFFFAOYSA-N 0 0 383.426 5.697 50 0 GKAARN COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017456 210374028 /nfs/dbraw/zinc/37/40/28/210374028.db2.gz MYDVONRZZNRUQO-UHFFFAOYSA-N 0 0 383.426 5.697 50 0 GKAARN O=C(C[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)NCc1ccccc1 ZINC000000820733 208480635 /nfs/dbraw/zinc/48/06/35/208480635.db2.gz KSQRZVWAUBZEGE-QHCPKHFHSA-N 0 0 381.475 5.384 50 0 GKAARN CCc1cccc(NC(=O)c2ccc(N3CCSc4ncccc43)s2)c1 ZINC000020995886 210373612 /nfs/dbraw/zinc/37/36/12/210373612.db2.gz ZMNFIXYXRPSMJR-UHFFFAOYSA-N 0 0 381.526 5.202 50 0 GKAARN Cc1ccc(CCN[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000020988778 210372623 /nfs/dbraw/zinc/37/26/23/210372623.db2.gz AXVMBNYCUNOGJI-QFIPXVFZSA-N 0 0 387.458 5.106 50 0 GKAARN Cc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccccc3)CO2)cc1 ZINC000020933979 210370876 /nfs/dbraw/zinc/37/08/76/210370876.db2.gz AYSMULBAGNUCAX-UHFFFAOYSA-N 0 0 383.447 5.121 50 0 GKAARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000147165334 208486559 /nfs/dbraw/zinc/48/65/59/208486559.db2.gz VWKJCCARGYKAHQ-SFURRIIMSA-N 0 0 382.592 5.690 50 0 GKAARN CCn1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)n1 ZINC000147168810 208486760 /nfs/dbraw/zinc/48/67/60/208486760.db2.gz PMKCDJNYYDXMLP-XPAVLPSQSA-N 0 0 382.592 5.690 50 0 GKAARN CC(C)c1ccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000020896887 210367363 /nfs/dbraw/zinc/36/73/63/210367363.db2.gz BFGAYPFNFSFIKV-UHFFFAOYSA-N 0 0 383.488 5.623 50 0 GKAARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2Cl)cc1 ZINC000020896902 210366977 /nfs/dbraw/zinc/36/69/77/210366977.db2.gz HUZDFQLXWKSRBB-UHFFFAOYSA-N 0 0 387.888 5.022 50 0 GKAARN CC[C@@H](C)NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000020900689 210366457 /nfs/dbraw/zinc/36/64/57/210366457.db2.gz QDNDYTYATIRHEF-CQSZACIVSA-N 0 0 383.488 5.328 50 0 biogenic GKAARN CCOc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1OCC ZINC000001323092 208491985 /nfs/dbraw/zinc/49/19/85/208491985.db2.gz CQAXXSHENRHPEW-UHFFFAOYSA-N 0 0 389.245 5.020 50 0 biogenic GKAARN CCc1ccc([C@@H](C)NC(=O)Cc2csc(COc3cccc(C)c3)n2)cc1 ZINC000020894732 210366256 /nfs/dbraw/zinc/36/62/56/210366256.db2.gz HVOBXWXWRCKZLB-QGZVFWFLSA-N 0 0 394.540 5.013 50 0 GKAARN COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017452 210375143 /nfs/dbraw/zinc/37/51/43/210375143.db2.gz LVVNCJHEGOOMRY-UHFFFAOYSA-N 0 0 387.389 5.528 50 0 GKAARN C[C@@H](NC(=O)c1cccc(Cl)c1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000020888872 210365438 /nfs/dbraw/zinc/36/54/38/210365438.db2.gz SCUITYPRUGFQNG-CYBMUJFWSA-N 0 0 383.879 5.179 50 0 GKAARN COc1ccc(NP(=O)(Nc2ccc(OC)cc2)Oc2ccccc2)cc1 ZINC000003122347 208509496 /nfs/dbraw/zinc/50/94/96/208509496.db2.gz GLEFVSOADRELOV-UHFFFAOYSA-N 0 0 384.372 5.415 50 0 GKAARN CCCC1CCC(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1 ZINC000003107777 208509615 /nfs/dbraw/zinc/50/96/15/208509615.db2.gz VHRBOPHXWCVIHP-UHFFFAOYSA-N 0 0 378.541 6.623 50 0 GKAARN O=C(c1cc2c(s1)-c1ccc(Cl)cc1SC2)N1CCc2ccccc21 ZINC000020867209 210364872 /nfs/dbraw/zinc/36/48/72/210364872.db2.gz NWKYLYMCHPRNHR-UHFFFAOYSA-N 0 0 383.925 5.877 50 0 GKAARN CCOc1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000003328294 208510045 /nfs/dbraw/zinc/51/00/45/208510045.db2.gz IUSJHFXLIUJOIA-UHFFFAOYSA-N 0 0 378.541 7.000 50 0 GKAARN CC(C)(C)c1ccc(COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003310654 208510395 /nfs/dbraw/zinc/51/03/95/208510395.db2.gz BOQDEXLNLBHCOE-UHFFFAOYSA-N 0 0 385.463 6.149 50 0 GKAARN O=C(NC1CCCCCC1)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000020864209 210364334 /nfs/dbraw/zinc/36/43/34/210364334.db2.gz XNIISVSKUKXAKV-UHFFFAOYSA-N 0 0 397.519 5.252 50 0 GKAARN COc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000020852716 210363338 /nfs/dbraw/zinc/36/33/38/210363338.db2.gz CHRKKGKJKPSWDZ-FQEVSTJZSA-N 0 0 375.403 5.086 50 0 GKAARN Clc1ccc([C@H](Nc2cccc(Cl)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020852428 210363350 /nfs/dbraw/zinc/36/33/50/210363350.db2.gz OYESQYVCZYKCIZ-IBGZPJMESA-N 0 0 396.277 6.245 50 0 GKAARN Brc1ccc2ncnc(Nc3ccc(Nc4ccccc4)cc3)c2c1 ZINC000001912233 208498309 /nfs/dbraw/zinc/49/83/09/208498309.db2.gz CHLZIEQROLCKPG-UHFFFAOYSA-N 0 0 391.272 5.880 50 0 GKAARN CCCCCOC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000001915563 208498580 /nfs/dbraw/zinc/49/85/80/208498580.db2.gz BLWGYFNYARILLC-UHFFFAOYSA-N 0 0 390.505 5.323 50 0 GKAARN c1csc(CNc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)c1 ZINC000002106960 208500854 /nfs/dbraw/zinc/50/08/54/208500854.db2.gz DFPJLQZROLIMGC-UHFFFAOYSA-N 0 0 399.544 6.699 50 0 GKAARN O=C1CS[C@@H](c2cccc(OCc3ccccc3Cl)c2)c2c[nH]nc2N1 ZINC000020722535 210358054 /nfs/dbraw/zinc/35/80/54/210358054.db2.gz YYJWXSRRKWWMND-SFHVURJKSA-N 0 0 385.876 5.066 50 0 GKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1 ZINC000002654468 208504650 /nfs/dbraw/zinc/50/46/50/208504650.db2.gz ZMPPDUDPTWXODI-IBGZPJMESA-N 0 0 391.536 6.169 50 0 GKAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000002627892 208505412 /nfs/dbraw/zinc/50/54/12/208505412.db2.gz PEQRCHGWVOMMLW-CYBMUJFWSA-N 0 0 383.904 5.162 50 0 GKAARN COc1ccc(Cl)cc1-n1c(=O)c2ccccc2nc1-c1cccc(C)c1 ZINC000002826570 208505771 /nfs/dbraw/zinc/50/57/71/208505771.db2.gz SCSYYOPGSZMVII-UHFFFAOYSA-N 0 0 376.843 5.023 50 0 GKAARN COc1ccccc1/C=C/C=C1\N=C(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000020615674 210353705 /nfs/dbraw/zinc/35/37/05/210353705.db2.gz MHEFWFYSGZVOLR-VPNFUMBJSA-N 0 0 381.431 5.263 50 0 GKAARN COc1ccccc1-c1cc(C(F)F)c2c(C)nn(-c3ccccc3F)c2n1 ZINC000020615311 210353369 /nfs/dbraw/zinc/35/33/69/210353369.db2.gz VXYJCBDEWXLLAR-UHFFFAOYSA-N 0 0 383.373 5.481 50 0 GKAARN COc1cccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccccc4)c3n2)c1 ZINC000020615060 210353426 /nfs/dbraw/zinc/35/34/26/210353426.db2.gz JOQUPFOJEQBDMY-UHFFFAOYSA-N 0 0 379.410 5.401 50 0 GKAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000020615182 210353265 /nfs/dbraw/zinc/35/32/65/210353265.db2.gz XELBEEQXBNXRHK-UHFFFAOYSA-N 0 0 397.447 5.316 50 0 GKAARN CCCn1nc(C)c2c1nc(-c1ccc(Cl)c(Cl)c1)cc2C(F)(F)F ZINC000020605830 210352662 /nfs/dbraw/zinc/35/26/62/210352662.db2.gz MPOHXBWVTXLAJJ-UHFFFAOYSA-N 0 0 388.220 6.142 50 0 GKAARN CCc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020604750 210350653 /nfs/dbraw/zinc/35/06/53/210350653.db2.gz 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Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c12 ZINC000004941130 208546716 /nfs/dbraw/zinc/54/67/16/208546716.db2.gz HLJIIGKMBISOML-UHFFFAOYSA-N 0 0 390.874 5.251 50 0 GKAARN C[C@H](CCc1ccccc1)Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329950 210329048 /nfs/dbraw/zinc/32/90/48/210329048.db2.gz TYUGWLPFJCMYSO-CQSZACIVSA-N 0 0 378.863 5.371 50 0 GKAARN Fc1ccc([C@@H](Nc2cccc3c2CCCC3)c2nnc(-c3ccccc3)o2)cc1 ZINC000020178433 210323088 /nfs/dbraw/zinc/32/30/88/210323088.db2.gz FGCNGFNMYNEJBQ-HSZRJFAPSA-N 0 0 399.469 5.956 50 0 GKAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 ZINC000020452866 210335211 /nfs/dbraw/zinc/33/52/11/210335211.db2.gz ZOLKQYYEBVVPTR-OAHLLOKOSA-N 0 0 382.554 5.113 50 0 GKAARN COc1ccc(-c2nn(-c3ccccc3)c3nc(C)cc(C(F)(F)F)c23)cc1 ZINC000020439896 210334208 /nfs/dbraw/zinc/33/42/08/210334208.db2.gz SJSHZRMGFWHBFJ-UHFFFAOYSA-N 0 0 383.373 5.423 50 0 GKAARN Cc1c(C[NH2+]C2CCC(C)CC2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000020415646 210334013 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O=C(c1sc2ccccc2c1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019782266 210296724 /nfs/dbraw/zinc/29/67/24/210296724.db2.gz LEVUCLUGMBGBKJ-RMKNXTFCSA-N 0 0 396.943 5.026 50 0 GKAARN Cc1cccc(C)c1O[C@H](C)CNc1cccc(OCCc2ccccc2)c1 ZINC000019737470 210291911 /nfs/dbraw/zinc/29/19/11/210291911.db2.gz XBKSFMGPNZLZIQ-OAQYLSRUSA-N 0 0 375.512 5.804 50 0 GKAARN CC(C)(C)c1ccc(CNc2cccc(OCCOc3ccccc3)c2)cc1 ZINC000019738404 210291675 /nfs/dbraw/zinc/29/16/75/210291675.db2.gz LFSOCDGUOKAPAI-UHFFFAOYSA-N 0 0 375.512 6.054 50 0 GKAARN Cc1cc(N(CCc2ccccc2)Cc2ccccc2)nc2cc(Cl)ccc12 ZINC000019730670 210289153 /nfs/dbraw/zinc/28/91/53/210289153.db2.gz KJLNZSWROLCNEI-UHFFFAOYSA-N 0 0 386.926 6.446 50 0 GKAARN CCOc1ncccc1C(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC000006086242 208677591 /nfs/dbraw/zinc/67/75/91/208677591.db2.gz ZJPZBQUPYGEAAH-UHFFFAOYSA-N 0 0 378.497 5.501 50 0 GKAARN Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000007179525 208686284 /nfs/dbraw/zinc/68/62/84/208686284.db2.gz NNYCYQGHAZFARP-ZDUSSCGKSA-N 0 0 389.883 5.093 50 0 GKAARN C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005829732 208672742 /nfs/dbraw/zinc/67/27/42/208672742.db2.gz HXTCBTUAWYBYMW-SIGOSDGXSA-N 0 0 389.495 5.438 50 0 aggregator GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000639840 208706782 /nfs/dbraw/zinc/70/67/82/208706782.db2.gz FBNMSCNGGVUDNJ-UHFFFAOYSA-N 0 0 385.294 6.228 50 0 GKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c1 ZINC000102692883 208712162 /nfs/dbraw/zinc/71/21/62/208712162.db2.gz VJRVLQLMFWKVHW-QPPBQGQZSA-N 0 0 376.500 5.132 50 0 GKAARN C[C@@H](OC(=O)C=Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(Cl)c1 ZINC000012542140 208772896 /nfs/dbraw/zinc/77/28/96/208772896.db2.gz FBJOFLQNGVEWSB-LXSSAFMLSA-N 0 0 383.658 5.475 50 0 GKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000012080485 208767506 /nfs/dbraw/zinc/76/75/06/208767506.db2.gz LSDBBVLAKBPMOI-GCJKJVERSA-N 0 0 376.481 5.389 50 0 GKAARN C[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000013988050 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O=C(Nc1ccc(Cc2ccc(NC(=O)C3CCCC3)cc2)cc1)C1CCCC1 ZINC000000695651 220454133 /nfs/dbraw/zinc/45/41/33/220454133.db2.gz SAATZABMTQCPDG-UHFFFAOYSA-N 0 0 390.527 5.535 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)c(C)c1 ZINC000000751875 220457401 /nfs/dbraw/zinc/45/74/01/220457401.db2.gz RDLOWBWGGVFGRE-UHFFFAOYSA-N 0 0 397.496 5.006 50 0 GKAARN Cc1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)c(Br)c1 ZINC000000942041 220470186 /nfs/dbraw/zinc/47/01/86/220470186.db2.gz MYXFIIMJVFCQLL-UHFFFAOYSA-N 0 0 376.294 5.207 50 0 GKAARN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1Cc1c(F)cccc1Cl ZINC000001013151 220474006 /nfs/dbraw/zinc/47/40/06/220474006.db2.gz SHWMOBRFOMROPO-NVNXTCNLSA-N 0 0 382.243 5.369 50 0 GKAARN COc1ccc(Cc2nc(-c3ccccc3Br)cs2)cc1OC ZINC000023624805 208866063 /nfs/dbraw/zinc/86/60/63/208866063.db2.gz KZBBNXKRZSXBIN-UHFFFAOYSA-N 0 0 390.302 5.181 50 0 GKAARN CC(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001155980 220480021 /nfs/dbraw/zinc/48/00/21/220480021.db2.gz AXDGMSYMTNPZCO-UHFFFAOYSA-N 0 0 386.403 5.486 50 0 GKAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cc2)cc1 ZINC000025007573 208872906 /nfs/dbraw/zinc/87/29/06/208872906.db2.gz CKXNDDFHWPNFTL-UHFFFAOYSA-N 0 0 388.345 5.159 50 0 GKAARN Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1ccccc1)O2 ZINC000001299456 220483863 /nfs/dbraw/zinc/48/38/63/220483863.db2.gz ZQCXPUWIDFXPJG-PXNSSMCTSA-N 0 0 395.256 5.284 50 0 GKAARN CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000001425713 220497342 /nfs/dbraw/zinc/49/73/42/220497342.db2.gz WLKXZPJOCMSQQO-OAHLLOKOSA-N 0 0 387.907 5.482 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000002209136 220509611 /nfs/dbraw/zinc/50/96/11/220509611.db2.gz KXHDFSJWWFJBPB-UHFFFAOYSA-N 0 0 381.262 5.668 50 0 GKAARN CCOc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc32)cc1 ZINC000002126521 220505489 /nfs/dbraw/zinc/50/54/89/220505489.db2.gz VBFVVGRTHKTORH-LKUDQCMESA-N 0 0 385.419 5.460 50 0 biogenic GKAARN 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GKAARN Cc1ccc(-n2c(/C=C/c3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1C ZINC000004659541 220742236 /nfs/dbraw/zinc/74/22/36/220742236.db2.gz AGGMVPNNRJBBOQ-FMIVXFBMSA-N 0 0 388.417 5.451 50 0 GKAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 ZINC000004740007 220758814 /nfs/dbraw/zinc/75/88/14/220758814.db2.gz MZWSSJCQLDMNSW-UHFFFAOYSA-N 0 0 382.389 5.427 50 0 GKAARN Cc1cc2nc(-c3ccc(OCc4cccc(C)c4)cc3)cc(C(F)(F)F)n2n1 ZINC000004739365 220759047 /nfs/dbraw/zinc/75/90/47/220759047.db2.gz IBUMUDRHLNIBBL-UHFFFAOYSA-N 0 0 397.400 5.611 50 0 GKAARN CSc1ccc(Cn2c3ccccc3nc2-c2ccc(SC)cc2)cc1 ZINC000004705401 220751984 /nfs/dbraw/zinc/75/19/84/220751984.db2.gz OPQFQBDYPZQTFP-UHFFFAOYSA-N 0 0 376.550 6.195 50 0 GKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004715857 220753216 /nfs/dbraw/zinc/75/32/16/220753216.db2.gz ZGLHBGXXZMWRQQ-GHTZIAJQSA-N 0 0 380.831 5.184 50 0 GKAARN Fc1ccc(-c2nc3ccc(Br)cn3c2NCc2ccccc2)cc1 ZINC000004720293 220755312 /nfs/dbraw/zinc/75/53/12/220755312.db2.gz 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/nfs/dbraw/zinc/79/85/16/220798516.db2.gz ZHKBYGJKOKVPDX-UHFFFAOYSA-N 0 0 378.475 5.805 50 0 GKAARN Cc1ccc(-c2nc3nc(C)cc(C)n3c2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000004904038 220787669 /nfs/dbraw/zinc/78/76/69/220787669.db2.gz XWIDVQJMRCNEOR-UHFFFAOYSA-N 0 0 396.416 6.084 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1c(C)cccc1C ZINC000004913895 220788946 /nfs/dbraw/zinc/78/89/46/220788946.db2.gz DXLRBLGTHUXFTO-IBGZPJMESA-N 0 0 393.600 6.276 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccccc1OC ZINC000004913745 220789185 /nfs/dbraw/zinc/78/91/85/220789185.db2.gz MVXXREJVELUKMZ-QGZVFWFLSA-N 0 0 395.572 5.667 50 0 GKAARN CCOc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCC2)cc1 ZINC000004911979 220790077 /nfs/dbraw/zinc/79/00/77/220790077.db2.gz SRVXOQLABDVNPB-UHFFFAOYSA-N 0 0 393.556 5.708 50 0 GKAARN CCCC1=Nc2cc(C(=O)NC3CCC(C)CC3)ccc2Sc2ccccc21 ZINC000004929630 220793124 /nfs/dbraw/zinc/79/31/24/220793124.db2.gz BADHOFIEYOBYIV-UHFFFAOYSA-N 0 0 392.568 6.381 50 0 GKAARN Cc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c(C)c1 ZINC000004935368 220793968 /nfs/dbraw/zinc/79/39/68/220793968.db2.gz OJXUJNANPXRDEW-UHFFFAOYSA-N 0 0 398.510 5.201 50 0 GKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(Cl)c3)c(Cl)c12 ZINC000004941131 220797984 /nfs/dbraw/zinc/79/79/84/220797984.db2.gz DTJDYNDKHYLMSK-UHFFFAOYSA-N 0 0 397.265 5.288 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1CCc1ccccc1 ZINC000005031993 220815360 /nfs/dbraw/zinc/81/53/60/220815360.db2.gz HXZTVPISTHFDNL-NTCAYCPXSA-N 0 0 386.882 5.463 50 0 GKAARN COc1ccccc1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000005032933 220815927 /nfs/dbraw/zinc/81/59/27/220815927.db2.gz IRJNPJLTFHAOEN-UHFFFAOYSA-N 0 0 375.346 5.535 50 0 GKAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000004973293 220802817 /nfs/dbraw/zinc/80/28/17/220802817.db2.gz RVGPWTMAIDYQTM-UHFFFAOYSA-N 0 0 393.830 5.113 50 0 GKAARN COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(C)cc32)c1 ZINC000004970291 220802996 /nfs/dbraw/zinc/80/29/96/220802996.db2.gz MPESTMBMDFJWLJ-UHFFFAOYSA-N 0 0 393.490 6.175 50 0 GKAARN C[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005036715 220817237 /nfs/dbraw/zinc/81/72/37/220817237.db2.gz YIAIZEZPPOZXNL-CQSZACIVSA-N 0 0 393.849 5.696 50 0 GKAARN O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005034497 220817582 /nfs/dbraw/zinc/81/75/82/220817582.db2.gz CSHSJPUJJAMQTP-UHFFFAOYSA-N 0 0 388.492 5.149 50 0 GKAARN O=C(Cc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000005035422 220817972 /nfs/dbraw/zinc/81/79/72/220817972.db2.gz INWOQMGCHVZSFL-UHFFFAOYSA-N 0 0 388.398 5.005 50 0 GKAARN O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000005043640 220818757 /nfs/dbraw/zinc/81/87/57/220818757.db2.gz IKIFPKDHBYNHLL-HNNXBMFYSA-N 0 0 375.211 5.171 50 0 GKAARN O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000005043641 220819307 /nfs/dbraw/zinc/81/93/07/220819307.db2.gz IKIFPKDHBYNHLL-OAHLLOKOSA-N 0 0 375.211 5.171 50 0 GKAARN CN(C(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12)C1CCCCC1 ZINC000005146439 220837021 /nfs/dbraw/zinc/83/70/21/220837021.db2.gz DKFZFOSNLUGERC-UHFFFAOYSA-N 0 0 387.936 5.050 50 0 GKAARN CCCc1cc(Nc2ccc(NC(C)=O)cc2)n2ncc(-c3ccccc3)c2n1 ZINC000005203871 220842613 /nfs/dbraw/zinc/84/26/13/220842613.db2.gz ROMSJPMHJLJJPO-UHFFFAOYSA-N 0 0 385.471 5.051 50 0 GKAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005256204 220851514 /nfs/dbraw/zinc/85/15/14/220851514.db2.gz KEBRQMYGCHSLOV-NRFANRHFSA-N 0 0 395.890 5.177 50 0 GKAARN O=C(C1CCCCC1)N(Cc1ccccn1)c1nc2c(cccc2Cl)s1 ZINC000005264912 220852732 /nfs/dbraw/zinc/85/27/32/220852732.db2.gz ILJBSEDOWIGNKB-UHFFFAOYSA-N 0 0 385.920 5.458 50 0 GKAARN COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)cc1 ZINC000005266443 220853068 /nfs/dbraw/zinc/85/30/68/220853068.db2.gz PSRHODGMGHIURU-UHFFFAOYSA-N 0 0 382.385 5.779 50 0 GKAARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005345852 220860146 /nfs/dbraw/zinc/86/01/46/220860146.db2.gz XAIGFGHTJUZVTH-UHFFFAOYSA-N 0 0 393.801 5.505 50 0 GKAARN Cn1ccnc1S[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000005358402 220860918 /nfs/dbraw/zinc/86/09/18/220860918.db2.gz BWFWMAYDBRDCNQ-MRXNPFEDSA-N 0 0 392.311 5.199 50 0 GKAARN Clc1ccc(/N=c2\scc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000005377336 220862763 /nfs/dbraw/zinc/86/27/63/220862763.db2.gz FIGAAHWNJZKFQC-GYHWCHFESA-N 0 0 376.912 6.151 50 0 GKAARN Cc1cccc(-c2nnc(SCc3ccccc3F)n2Cc2ccco2)c1 ZINC000005478129 220874506 /nfs/dbraw/zinc/87/45/06/220874506.db2.gz AJDBMAMCUJWBGH-UHFFFAOYSA-N 0 0 379.460 5.326 50 0 GKAARN C[C@@H](Oc1ccc(Br)cc1Cl)c1nnc(-c2cccs2)o1 ZINC000005466752 220874542 /nfs/dbraw/zinc/87/45/42/220874542.db2.gz QVQFKWVJNXOZHI-MRVPVSSYSA-N 0 0 385.670 5.354 50 0 GKAARN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3cccs3)c3ccc(C)cc32)cc1 ZINC000005486030 220875468 /nfs/dbraw/zinc/87/54/68/220875468.db2.gz LIYAPMXMMPCRAX-FXAWDEMLSA-N 0 0 376.525 5.957 50 0 GKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1 ZINC000005403910 220867399 /nfs/dbraw/zinc/86/73/99/220867399.db2.gz PMUPEOBEFBNVEW-UHFFFAOYSA-N 0 0 396.821 5.664 50 0 GKAARN Cc1cccc(NC2=NC(=S)N(c3ccc(Cl)cc3)C23CCCCC3)c1 ZINC000005427111 220869214 /nfs/dbraw/zinc/86/92/14/220869214.db2.gz FLNQWZIJVGCRGQ-UHFFFAOYSA-N 0 0 383.948 5.967 50 0 GKAARN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccccc1Cl ZINC000005530568 220879239 /nfs/dbraw/zinc/87/92/39/220879239.db2.gz XRGSNKLRMVGWPY-UHFFFAOYSA-N 0 0 392.713 5.756 50 0 GKAARN Cc1cccc(COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)c1 ZINC000005548195 220881221 /nfs/dbraw/zinc/88/12/21/220881221.db2.gz HAQGGLILRSTYCR-UHFFFAOYSA-N 0 0 384.475 5.888 50 0 GKAARN O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1c(F)cccc1F ZINC000005777469 220898066 /nfs/dbraw/zinc/89/80/66/220898066.db2.gz ITYQHBKGMDYQOB-JLHYYAGUSA-N 0 0 376.362 5.529 50 0 GKAARN Cc1nnc(SCc2csc(-c3ccc(F)cc3)n2)n1-c1ccccc1C ZINC000005619847 220888964 /nfs/dbraw/zinc/88/89/64/220888964.db2.gz FWFFEJZREUIYNV-UHFFFAOYSA-N 0 0 396.516 5.439 50 0 GKAARN CCCC[C@@H](CC)C(=O)OCC1CCC(COC(=O)[C@H](CC)CCCC)CC1 ZINC000005821725 220900364 /nfs/dbraw/zinc/90/03/64/220900364.db2.gz WZCWEBVKSPNNNN-LIKPIUCQSA-N 0 0 396.612 6.312 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000006078055 220917734 /nfs/dbraw/zinc/91/77/34/220917734.db2.gz RDQKHNKSXBJJGK-UHFFFAOYSA-N 0 0 393.368 5.209 50 0 GKAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096115607 209011121 /nfs/dbraw/zinc/01/11/21/209011121.db2.gz QANXGGYYYIARGY-NRFANRHFSA-N 0 0 391.902 5.429 50 0 biogenic GKAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(Oc2ccccn2)c1 ZINC000096122634 209012112 /nfs/dbraw/zinc/01/21/12/209012112.db2.gz HBADCUVBQKHEIK-UHFFFAOYSA-N 0 0 376.309 5.284 50 0 GKAARN Cc1csc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)c1 ZINC000096124444 209012228 /nfs/dbraw/zinc/01/22/28/209012228.db2.gz LEXZBRWPXHMCSL-UHFFFAOYSA-N 0 0 392.509 5.571 50 0 GKAARN COc1ccc(C(=O)c2coc3ccc(OCc4cccc(Cl)c4)cc23)cc1 ZINC000096184241 209012262 /nfs/dbraw/zinc/01/22/62/209012262.db2.gz SZJRFEVVNUCHEQ-UHFFFAOYSA-N 0 0 392.838 5.905 50 0 GKAARN O=C(/C=C/c1ccco1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000096124419 209012597 /nfs/dbraw/zinc/01/25/97/209012597.db2.gz GSWMOCCDQCGQCF-MDZDMXLPSA-N 0 0 388.452 5.194 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@H](/C=C\c1cccs1)Nc1ccccc1-2 ZINC000096594593 209016730 /nfs/dbraw/zinc/01/67/30/209016730.db2.gz OHXOUHGNVVTIBS-QXPKXGMISA-N 0 0 396.541 5.336 50 0 GKAARN COc1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c(OC)c1 ZINC000006418573 220934021 /nfs/dbraw/zinc/93/40/21/220934021.db2.gz PSNYSHZBRHOBOT-UHFFFAOYSA-N 0 0 382.485 5.005 50 0 GKAARN COc1ccc(/C=C\c2ccc3cccc(OCc4ccccc4)c3n2)c(OC)c1 ZINC000097454065 209015227 /nfs/dbraw/zinc/01/52/27/209015227.db2.gz ZDPKKTFLLASKFW-KAMYIIQDSA-N 0 0 397.474 6.001 50 0 GKAARN CCCC[C@@H](CC)COC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC[C@@H](CC)CCCC ZINC000248291072 209031395 /nfs/dbraw/zinc/03/13/95/209031395.db2.gz SVVBLKNHJWTATO-CIAFKFPVSA-N 0 0 394.596 6.088 50 0 GKAARN CC(C)c1sc(Cl)nc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253413215 209037997 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Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCC2CCCC2)cc1 ZINC000008599824 221045595 /nfs/dbraw/zinc/04/55/95/221045595.db2.gz XSOZCDBQTOLHPY-AREMUKBSSA-N 0 0 386.539 5.921 50 0 aggregator GKAARN CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000008657900 221048663 /nfs/dbraw/zinc/04/86/63/221048663.db2.gz SWXVTPFMCSJUME-UHFFFAOYSA-N 0 0 391.906 5.354 50 0 GKAARN CCOc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000008739155 221053943 /nfs/dbraw/zinc/05/39/43/221053943.db2.gz AZCYKWBWTGOSBB-UHFFFAOYSA-N 0 0 394.283 5.163 50 0 GKAARN O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)Nc1ccccc1 ZINC000008738732 221053958 /nfs/dbraw/zinc/05/39/58/221053958.db2.gz MYXNAIYLHWZMBB-UHFFFAOYSA-N 0 0 376.894 5.128 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccccc2SCc2ccccc2)c1 ZINC000008768222 221056652 /nfs/dbraw/zinc/05/66/52/221056652.db2.gz NZPCZIWQVBBOJF-UHFFFAOYSA-N 0 0 379.481 5.248 50 0 GKAARN COc1cccc(NC(=O)Nc2nnc(/C=C/c3ccccc3Cl)s2)c1 ZINC000008769547 221056966 /nfs/dbraw/zinc/05/69/66/221056966.db2.gz 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CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000009341150 221077838 /nfs/dbraw/zinc/07/78/38/221077838.db2.gz LBYBSWCBTGDFNA-IBGZPJMESA-N 0 0 377.831 5.283 50 0 GKAARN COC(=O)c1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000009331266 221077872 /nfs/dbraw/zinc/07/78/72/221077872.db2.gz FSAFGGKEWOIGIY-UHFFFAOYSA-N 0 0 389.842 5.480 50 0 GKAARN O=C1C[C@H](c2ccccc2)Cc2nc(Nc3cc(Cl)cc(Cl)c3)ncc21 ZINC000009328546 221078546 /nfs/dbraw/zinc/07/85/46/221078546.db2.gz IXFYRIQOMJTWCJ-CYBMUJFWSA-N 0 0 384.266 5.440 50 0 GKAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)cc1C ZINC000009360627 221078704 /nfs/dbraw/zinc/07/87/04/221078704.db2.gz JKRMMHJJLVQIKT-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2c2nc(C)cs2)cc1 ZINC000009418375 221080646 /nfs/dbraw/zinc/08/06/46/221080646.db2.gz JYKXUPMXBFFOAS-NRFANRHFSA-N 0 0 377.513 5.378 50 0 GKAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)cc2s1 ZINC000009471207 221081490 /nfs/dbraw/zinc/08/14/90/221081490.db2.gz RDGRYNHDQFXBLO-OAHLLOKOSA-N 0 0 387.508 5.711 50 0 GKAARN CCCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(C)cc1 ZINC000009431929 221081628 /nfs/dbraw/zinc/08/16/28/221081628.db2.gz NFVYKLILBHDRDX-UHFFFAOYSA-N 0 0 377.484 5.610 50 0 GKAARN O=C(CSCc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009449130 221081951 /nfs/dbraw/zinc/08/19/51/221081951.db2.gz ZHNIVIREZVACJM-KRWDZBQOSA-N 0 0 398.578 5.421 50 0 GKAARN Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccc(C(C)C)cc3)nn1C)CS2 ZINC000009527794 221084109 /nfs/dbraw/zinc/08/41/09/221084109.db2.gz SFTQYYLPFCPZFQ-UHFFFAOYSA-N 0 0 377.513 5.377 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@H]1Cc1ccccc1 ZINC000009528211 221084154 /nfs/dbraw/zinc/08/41/54/221084154.db2.gz SNVJXXBIECOVOB-OAQYLSRUSA-N 0 0 379.891 5.281 50 0 GKAARN O=C1C[C@H](c2ccc(O)cc2)c2c(-c3ccccc3)nn(-c3ccc(F)cc3)c2N1 ZINC000009547694 221085228 /nfs/dbraw/zinc/08/52/28/221085228.db2.gz LFJPSHARDFPEBS-HXUWFJFHSA-N 0 0 399.425 5.508 50 0 GKAARN Cc1ccccc1CNC(=O)c1cc(OCc2ccccc2)nc2ccccc21 ZINC000009587854 221085935 /nfs/dbraw/zinc/08/59/35/221085935.db2.gz LCHNEVQRLUBVAU-UHFFFAOYSA-N 0 0 382.463 5.052 50 0 GKAARN COc1ccc(NC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)c(OC)c1 ZINC000009581513 221086021 /nfs/dbraw/zinc/08/60/21/221086021.db2.gz ZAGMRHGAVSUZID-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN C[C@H](CNC(=O)c1cc(OCc2ccccc2)nc2ccccc21)c1ccccc1 ZINC000009587761 221086105 /nfs/dbraw/zinc/08/61/05/221086105.db2.gz PMMXZLBBFHAJBY-LJQANCHMSA-N 0 0 396.490 5.347 50 0 GKAARN O=c1cc(CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc2ccccn12 ZINC000009585991 221086585 /nfs/dbraw/zinc/08/65/85/221086585.db2.gz SDRFEHJZELWKOT-QFIPXVFZSA-N 0 0 392.911 5.371 50 0 GKAARN Cc1[nH]nc(-c2ccc(OCc3ccccc3)cc2O)c1-c1ccc(Cl)cc1 ZINC000008973402 221066854 /nfs/dbraw/zinc/06/68/54/221066854.db2.gz BAFVQXHDCJVLCV-UHFFFAOYSA-N 0 0 390.870 5.990 50 0 GKAARN O=C(COc1ccc(F)cc1)Nc1ccccc1SCc1ccccc1F ZINC000009028077 221068182 /nfs/dbraw/zinc/06/81/82/221068182.db2.gz SOQYFUVEMDBPGL-UHFFFAOYSA-N 0 0 385.435 5.275 50 0 GKAARN CCn1c(Cc2cccs2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000010305338 221100695 /nfs/dbraw/zinc/10/06/95/221100695.db2.gz SJAQLSNCDPLAJC-UHFFFAOYSA-N 0 0 384.357 5.549 50 0 GKAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000010448047 221103581 /nfs/dbraw/zinc/10/35/81/221103581.db2.gz RLUWJDNMEQKWRV-LLVKDONJSA-N 0 0 391.302 5.118 50 0 GKAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1ccccc1F ZINC000010464368 221103684 /nfs/dbraw/zinc/10/36/84/221103684.db2.gz OZQKWRMMYRQWSQ-MRXNPFEDSA-N 0 0 391.446 5.303 50 0 GKAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccc(F)cc1Cl ZINC000010511076 221104012 /nfs/dbraw/zinc/10/40/12/221104012.db2.gz MDGWOZFHKSUBLX-UHFFFAOYSA-N 0 0 398.825 5.317 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010692048 221105983 /nfs/dbraw/zinc/10/59/83/221105983.db2.gz VEWBWUIUGPYDDX-QFIPXVFZSA-N 0 0 393.490 5.140 50 0 GKAARN COc1cccc2cc(-c3csc(NC(=O)/C=C/c4cccs4)n3)oc21 ZINC000010747892 221107682 /nfs/dbraw/zinc/10/76/82/221107682.db2.gz XBTJRENOJDYDBV-BQYQJAHWSA-N 0 0 382.466 5.278 50 0 GKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)cc1 ZINC000010923127 221109220 /nfs/dbraw/zinc/10/92/20/221109220.db2.gz VITINNPBIDGTCX-UHFFFAOYSA-N 0 0 379.218 5.359 50 0 GKAARN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1F ZINC000009645699 221087649 /nfs/dbraw/zinc/08/76/49/221087649.db2.gz OMZQTYKBQGQPOF-LJQANCHMSA-N 0 0 381.357 5.355 50 0 GKAARN Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 ZINC000009660122 221088224 /nfs/dbraw/zinc/08/82/24/221088224.db2.gz OQNONGICWKKUCF-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN CCc1ccc(-c2csc(-c3nc(-c4ccc(OC)cc4)cs3)n2)cc1 ZINC000009683057 221088457 /nfs/dbraw/zinc/08/84/57/221088457.db2.gz RSFKPVXERTURCZ-UHFFFAOYSA-N 0 0 378.522 6.172 50 0 GKAARN Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000009660118 221088868 /nfs/dbraw/zinc/08/88/68/221088868.db2.gz XBXIAAUDBMVBOU-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)cc1 ZINC000009660087 221088990 /nfs/dbraw/zinc/08/89/90/221088990.db2.gz WHQCQWXFZRXZAO-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 biogenic GKAARN CCc1ccc(-c2nc(-c3nc(-c4ccc(Cl)cc4)cs3)sc2C)cc1 ZINC000009683140 221089031 /nfs/dbraw/zinc/08/90/31/221089031.db2.gz NKNGMHGWBLZLTH-UHFFFAOYSA-N 0 0 396.968 7.125 50 0 GKAARN COc1cccc(-c2csc(-c3nc(-c4cccc(Cl)c4)cs3)n2)c1 ZINC000009683039 221089220 /nfs/dbraw/zinc/08/92/20/221089220.db2.gz KSWMJBUZJHPAOG-UHFFFAOYSA-N 0 0 384.913 6.263 50 0 GKAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000009754324 221091348 /nfs/dbraw/zinc/09/13/48/221091348.db2.gz YOKLBGDWAQZZJM-KRWDZBQOSA-N 0 0 380.319 5.035 50 0 GKAARN CC1CCC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000009892204 221093987 /nfs/dbraw/zinc/09/39/87/221093987.db2.gz AOVJEKKMBWUWES-UHFFFAOYSA-N 0 0 378.299 6.551 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)cc1 ZINC000010215081 221098248 /nfs/dbraw/zinc/09/82/48/221098248.db2.gz ILAQOQSBPKBDQK-TZIWHRDSSA-N 0 0 396.899 5.652 50 0 GKAARN CCN(C(=O)c1ccccc1OCCOc1ccccc1)c1cccc(C)c1 ZINC000010154886 221098437 /nfs/dbraw/zinc/09/84/37/221098437.db2.gz WKUCKKQDOSLAMX-UHFFFAOYSA-N 0 0 375.468 5.120 50 0 GKAARN Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 ZINC000010156655 221098608 /nfs/dbraw/zinc/09/86/08/221098608.db2.gz PSTHIQQGNKBHHD-AWEZNQCLSA-N 0 0 381.838 5.234 50 0 GKAARN Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 ZINC000010156617 221098785 /nfs/dbraw/zinc/09/87/85/221098785.db2.gz MYYYVPXTIDJGMN-MRXNPFEDSA-N 0 0 377.875 5.403 50 0 GKAARN COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(C)cc3)C[C@@H]21 ZINC000010215590 221098812 /nfs/dbraw/zinc/09/88/12/221098812.db2.gz MLCLQZLVFLYBSI-SIKLNZKXSA-N 0 0 376.481 5.307 50 0 GKAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@@H]1c1nccn1C ZINC000011819099 221129865 /nfs/dbraw/zinc/12/98/65/221129865.db2.gz ORAIISYBKYHHSH-JOCHJYFZSA-N 0 0 386.499 5.264 50 0 GKAARN Cc1cc(C)cc(Nc2ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc3c2)c1 ZINC000011865084 221133728 /nfs/dbraw/zinc/13/37/28/221133728.db2.gz XHFOHZDXWFCOTK-UHFFFAOYSA-N 0 0 389.882 6.782 50 0 GKAARN Cc1cc(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc12 ZINC000011903130 221134733 /nfs/dbraw/zinc/13/47/33/221134733.db2.gz ZQAAHYJLKCWTMX-UHFFFAOYSA-N 0 0 376.403 5.293 50 0 GKAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccccc2F)c1 ZINC000011088927 221110869 /nfs/dbraw/zinc/11/08/69/221110869.db2.gz ZTZZVCXJWVSTLL-KRWDZBQOSA-N 0 0 390.458 5.188 50 0 GKAARN Cc1csc(N(C(=O)/C=C/c2csc3ccccc23)c2ccccc2)n1 ZINC000011200767 221112128 /nfs/dbraw/zinc/11/21/28/221112128.db2.gz TYCZSFUCZLQGQZ-VAWYXSNFSA-N 0 0 376.506 6.044 50 0 GKAARN CSc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000011363903 221114999 /nfs/dbraw/zinc/11/49/99/221114999.db2.gz GYPCRNKNEJGEEK-ZDUSSCGKSA-N 0 0 384.570 5.525 50 0 GKAARN O=C(c1sccc1Cl)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000011665438 221120149 /nfs/dbraw/zinc/12/01/49/221120149.db2.gz BESKCWXZOVJYDS-LJQANCHMSA-N 0 0 393.899 5.066 50 0 GKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011689925 221121531 /nfs/dbraw/zinc/12/15/31/221121531.db2.gz HAHPXJCKMWGDLV-UHFFFAOYSA-N 0 0 393.792 6.190 50 0 GKAARN CCCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1 ZINC000011691922 221121989 /nfs/dbraw/zinc/12/19/89/221121989.db2.gz XNSKEMCVLHXUOO-UHFFFAOYSA-N 0 0 380.871 6.901 50 0 GKAARN O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000011720733 221122776 /nfs/dbraw/zinc/12/27/76/221122776.db2.gz OLWUGPIWSFEMPD-AWEZNQCLSA-N 0 0 383.360 5.079 50 0 GKAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000011914711 221136676 /nfs/dbraw/zinc/13/66/76/221136676.db2.gz OMRWNSFIZHPDPR-KRWDZBQOSA-N 0 0 386.451 5.518 50 0 GKAARN CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 ZINC000011917569 221137415 /nfs/dbraw/zinc/13/74/15/221137415.db2.gz VXAJQAKAZYAUCJ-UHFFFAOYSA-N 0 0 399.859 5.256 50 0 GKAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)o1 ZINC000011917453 221137516 /nfs/dbraw/zinc/13/75/16/221137516.db2.gz PMTMJQHGPGCRLP-UHFFFAOYSA-N 0 0 396.830 5.332 50 0 GKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccco2)c(F)c1 ZINC000012029442 221144058 /nfs/dbraw/zinc/14/40/58/221144058.db2.gz LYZCDRRWCPSTPQ-HSZRJFAPSA-N 0 0 376.431 5.056 50 0 GKAARN Cc1csc([C@H](C)N(C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)n1 ZINC000012072910 221146392 /nfs/dbraw/zinc/14/63/92/221146392.db2.gz VIMJMTOEZUWYIU-LBPRGKRZSA-N 0 0 395.450 5.627 50 0 GKAARN Cc1ccccc1OCC(=O)N(Cc1ccco1)Cc1ccc(C(C)(C)C)cc1 ZINC000012062682 221146867 /nfs/dbraw/zinc/14/68/67/221146867.db2.gz STRWSJSGULRPOA-UHFFFAOYSA-N 0 0 391.511 5.493 50 0 GKAARN CCOc1ccccc1-c1nc(CN(C)[C@@H](C)c2cccc(OC)c2)c(C)o1 ZINC000012072425 221146900 /nfs/dbraw/zinc/14/69/00/221146900.db2.gz QESCBEPMSLQQRQ-INIZCTEOSA-N 0 0 380.488 5.250 50 0 GKAARN CC(C)c1noc2ncc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)cc21 ZINC000012109093 221150642 /nfs/dbraw/zinc/15/06/42/221150642.db2.gz FVGGLCOBVVLCKD-MDZDMXLPSA-N 0 0 384.439 5.164 50 0 GKAARN O=C(Nc1nc(-c2cccs2)ns1)C(c1ccccc1)c1ccccc1 ZINC000011914815 221136663 /nfs/dbraw/zinc/13/66/63/221136663.db2.gz BQHCZDWMJAQOQC-UHFFFAOYSA-N 0 0 377.494 5.037 50 0 GKAARN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nccn2CC)cc1 ZINC000012305695 221177817 /nfs/dbraw/zinc/17/78/17/221177817.db2.gz INZGPAASKOCGEL-RUZDIDTESA-N 0 0 384.527 5.094 50 0 GKAARN CN(Cc1cc(-c2ccccc2)no1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000012305896 221179339 /nfs/dbraw/zinc/17/93/39/221179339.db2.gz VTDIPZALWFJFNI-UHFFFAOYSA-N 0 0 384.439 5.110 50 0 GKAARN Cc1[nH]c2ccccc2c1C1=C[C@]2(C)Nc3ccccc3[C@@H]2[C@@H](c2ccccc2)C1 ZINC000012320763 221180666 /nfs/dbraw/zinc/18/06/66/221180666.db2.gz HPJDJMWKYZODGJ-QPVYNBJUSA-N 0 0 390.530 7.015 50 0 GKAARN Clc1cccc(-c2nnc(SCc3ccc(Br)cc3)o2)c1 ZINC000012178693 221161471 /nfs/dbraw/zinc/16/14/71/221161471.db2.gz CTWINMUKZWIEOY-UHFFFAOYSA-N 0 0 381.682 5.445 50 0 GKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000012194815 221165339 /nfs/dbraw/zinc/16/53/39/221165339.db2.gz XZRJSZJWPKTUTQ-YLJYHZDGSA-N 0 0 385.250 5.829 50 0 GKAARN CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000012194783 221165604 /nfs/dbraw/zinc/16/56/04/221165604.db2.gz UYHBDYPRCZCUBN-DENIHFKCSA-N 0 0 394.858 5.574 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1Cl ZINC000012228879 221170067 /nfs/dbraw/zinc/17/00/67/221170067.db2.gz SGGSYQBXBWVMET-UHFFFAOYSA-N 0 0 393.830 5.113 50 0 GKAARN Cc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc(OC(C)C)n1 ZINC000012226060 221171064 /nfs/dbraw/zinc/17/10/64/221171064.db2.gz OVYSNVQBEDJCCY-UHFFFAOYSA-N 0 0 395.438 5.099 50 0 GKAARN Clc1cc(Cl)c2ncnc(SCc3cc4c(cc3Cl)OCO4)c2c1 ZINC000012249669 221173258 /nfs/dbraw/zinc/17/32/58/221173258.db2.gz GBRNXSOMEYIKRV-UHFFFAOYSA-N 0 0 399.686 5.611 50 0 GKAARN CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(C)cc2)OC3=O)cc1 ZINC000012274519 221174607 /nfs/dbraw/zinc/17/46/07/221174607.db2.gz QDFOACFQXFCJSH-HSZRJFAPSA-N 0 0 385.463 5.264 50 0 GKAARN CC(=O)Nc1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000012414265 221190658 /nfs/dbraw/zinc/19/06/58/221190658.db2.gz XHHRBKJTTDZLCB-UHFFFAOYSA-N 0 0 376.437 5.447 50 0 GKAARN Cn1c2ccccc2c(C(=O)C(=O)NCCC2=CCCCC2)c1-c1ccccc1 ZINC000012428089 221191654 /nfs/dbraw/zinc/19/16/54/221191654.db2.gz LLCKAYMGGBABSH-UHFFFAOYSA-N 0 0 386.495 5.035 50 0 GKAARN COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccc(Cl)cc2)nc1C ZINC000012535210 221202831 /nfs/dbraw/zinc/20/28/31/221202831.db2.gz ZAMSMPKEKZEJMS-UHFFFAOYSA-N 0 0 377.831 5.040 50 0 GKAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000012556105 221207403 /nfs/dbraw/zinc/20/74/03/221207403.db2.gz NOJKCUTXAVXWDG-UHFFFAOYSA-N 0 0 392.311 5.114 50 0 GKAARN Cc1cc(COc2ccc3c(=O)c(-c4c(F)cccc4Cl)c(C)oc3c2)on1 ZINC000012567437 221208280 /nfs/dbraw/zinc/20/82/80/221208280.db2.gz HAAIDEIFNQUOLR-UHFFFAOYSA-N 0 0 399.805 5.436 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000012569769 221208345 /nfs/dbraw/zinc/20/83/45/221208345.db2.gz TZSLOPRYVNKEIW-QPJJXVBHSA-N 0 0 398.673 5.150 50 0 GKAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1Cl ZINC000012571467 221209103 /nfs/dbraw/zinc/20/91/03/221209103.db2.gz BSYIIHBFACJDJN-UHFFFAOYSA-N 0 0 393.899 5.410 50 0 GKAARN Cc1cccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)c1 ZINC000012378330 221186615 /nfs/dbraw/zinc/18/66/15/221186615.db2.gz BLHZEEDMSHSFLE-UHFFFAOYSA-N 0 0 384.523 6.270 50 0 GKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000012407321 221188863 /nfs/dbraw/zinc/18/88/63/221188863.db2.gz PAQGRYHKAHDOPT-HSZRJFAPSA-N 0 0 395.462 5.026 50 0 GKAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1C ZINC000012596207 221213026 /nfs/dbraw/zinc/21/30/26/221213026.db2.gz ZGTHYSWEKKPLCZ-OAQYLSRUSA-N 0 0 392.499 5.313 50 0 GKAARN COc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000012618579 221215610 /nfs/dbraw/zinc/21/56/10/221215610.db2.gz PSZQJHVZJHBGGW-UHFFFAOYSA-N 0 0 398.462 5.589 50 0 GKAARN CCCCCC[C@@H](C)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000012630050 221215840 /nfs/dbraw/zinc/21/58/40/221215840.db2.gz INCLDTYNLVIHDF-HXUWFJFHSA-N 0 0 380.532 5.607 50 0 GKAARN O=C(CCC1CCCC1)N[C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000012742056 221224224 /nfs/dbraw/zinc/22/42/24/221224224.db2.gz YOIRUDAEAYHQHQ-OAQYLSRUSA-N 0 0 389.499 5.107 50 0 GKAARN O=C(c1ccccn1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000012771659 221228861 /nfs/dbraw/zinc/22/88/61/221228861.db2.gz WEYFIKAELDEXRC-UHFFFAOYSA-N 0 0 389.455 5.191 50 0 GKAARN FC(F)(F)c1ccc(CNc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000012769568 221229025 /nfs/dbraw/zinc/22/90/25/221229025.db2.gz WQQBZZVHMQBHLB-UHFFFAOYSA-N 0 0 380.373 5.323 50 0 GKAARN CCN(C(=O)c1sc(-c2ccccc2)nc1C)c1nc2ccccc2s1 ZINC000012768737 221229034 /nfs/dbraw/zinc/22/90/34/221229034.db2.gz XPKCIKHLURHXBY-UHFFFAOYSA-N 0 0 379.510 5.395 50 0 GKAARN Cc1cccc2sc(NC(=O)c3ccc(SCc4cscn4)cc3)nc21 ZINC000012769578 221229095 /nfs/dbraw/zinc/22/90/95/221229095.db2.gz RYHBGVWYKYOQLV-UHFFFAOYSA-N 0 0 397.550 5.606 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000012774557 221230079 /nfs/dbraw/zinc/23/00/79/221230079.db2.gz VHRFIKCSWGFLQH-UHFFFAOYSA-N 0 0 393.245 5.965 50 0 GKAARN CCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 ZINC000012774602 221230233 /nfs/dbraw/zinc/23/02/33/221230233.db2.gz ZUSIORTZPLKUFB-UHFFFAOYSA-N 0 0 390.430 5.425 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(-c2cccc(Br)c2)nc1C ZINC000012785375 221231494 /nfs/dbraw/zinc/23/14/94/221231494.db2.gz PGMZAWNJHYCWSG-UHFFFAOYSA-N 0 0 381.273 5.380 50 0 GKAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1ccco1 ZINC000012794991 221232595 /nfs/dbraw/zinc/23/25/95/221232595.db2.gz PWUJRGGRFAQADY-UHFFFAOYSA-N 0 0 386.782 5.251 50 0 GKAARN Cc1nc(COc2cccc(/C=C/C(=O)NCc3cccc(Cl)c3)c2)cs1 ZINC000012799418 221233396 /nfs/dbraw/zinc/23/33/96/221233396.db2.gz ZGOLHZHAXSIAIO-CMDGGOBGSA-N 0 0 398.915 5.014 50 0 GKAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C(C)(C)C)cc2)no1 ZINC000012904811 221244039 /nfs/dbraw/zinc/24/40/39/221244039.db2.gz SYXGNDCMMAPINL-UHFFFAOYSA-N 0 0 381.501 5.220 50 0 GKAARN CCOc1ccc(OCCSCCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000012903562 221244226 /nfs/dbraw/zinc/24/42/26/221244226.db2.gz LEOQTSHHJFVABZ-UHFFFAOYSA-N 0 0 397.899 5.019 50 0 GKAARN CSc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012811024 221234372 /nfs/dbraw/zinc/23/43/72/221234372.db2.gz MFURBXPDHVCEDU-QFIPXVFZSA-N 0 0 394.565 5.056 50 0 GKAARN C[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc12)c1cc2ccccc2o1 ZINC000012808852 221234900 /nfs/dbraw/zinc/23/49/00/221234900.db2.gz STYUIVWQRBQBTK-LLVKDONJSA-N 0 0 383.245 5.168 50 0 GKAARN CSc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012811026 221235009 /nfs/dbraw/zinc/23/50/09/221235009.db2.gz MFURBXPDHVCEDU-JOCHJYFZSA-N 0 0 394.565 5.056 50 0 GKAARN CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1nc2ccccc2s1 ZINC000012822467 221237351 /nfs/dbraw/zinc/23/73/51/221237351.db2.gz ANIHMAOEGOWOHP-UHFFFAOYSA-N 0 0 379.510 5.395 50 0 GKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012867383 221239887 /nfs/dbraw/zinc/23/98/87/221239887.db2.gz YCUDAXKUUMNFKZ-UHFFFAOYSA-N 0 0 383.662 5.026 50 0 GKAARN CC(=O)Nc1cccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1C ZINC000012880636 221241366 /nfs/dbraw/zinc/24/13/66/221241366.db2.gz NXSGLLBNQQQHFM-UHFFFAOYSA-N 0 0 393.512 5.453 50 0 GKAARN CSc1nc(-c2ccccc2)c(NC(=O)COc2ccc(C(C)C)cc2)s1 ZINC000012890488 221242029 /nfs/dbraw/zinc/24/20/29/221242029.db2.gz LBDSZOPXZVJGAZ-UHFFFAOYSA-N 0 0 398.553 5.673 50 0 GKAARN CCSc1nc(-c2ccccc2)c(NC(=O)CCc2ccc(OC)cc2)s1 ZINC000012891472 221242356 /nfs/dbraw/zinc/24/23/56/221242356.db2.gz SAACCIIQVZJMKZ-UHFFFAOYSA-N 0 0 398.553 5.502 50 0 GKAARN O=[S@@](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1c(F)cccc1Cl ZINC000012916316 221246117 /nfs/dbraw/zinc/24/61/17/221246117.db2.gz JPPGHTPLFFVBBH-XMMPIXPASA-N 0 0 384.259 5.236 50 0 GKAARN O=C(Cc1ccccc1Cl)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000012917590 221246206 /nfs/dbraw/zinc/24/62/06/221246206.db2.gz BMTPKSBGPZRZMK-UHFFFAOYSA-N 0 0 379.847 5.165 50 0 GKAARN CCc1cccc(C)c1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000012926626 221246941 /nfs/dbraw/zinc/24/69/41/221246941.db2.gz UCMRBULAFFOYCR-UHFFFAOYSA-N 0 0 380.513 5.083 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1sc(COc2ccc(C)cc2)nc1C ZINC000012926631 221247264 /nfs/dbraw/zinc/24/72/64/221247264.db2.gz FAXUAHMADDNEQI-UHFFFAOYSA-N 0 0 380.513 5.462 50 0 GKAARN Cc1nn(Cc2ccccc2)c(C)c1CNc1ncc(C(F)(F)F)cc1Cl ZINC000012932364 221248334 /nfs/dbraw/zinc/24/83/34/221248334.db2.gz BWHNYMDGNGIPHJ-UHFFFAOYSA-N 0 0 394.828 5.228 50 0 GKAARN COc1ccc(/N=c2\oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000012944414 221249309 /nfs/dbraw/zinc/24/93/09/221249309.db2.gz LSHHOSMKXZQGNT-IZHYLOQSSA-N 0 0 397.434 5.226 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000012986061 221253485 /nfs/dbraw/zinc/25/34/85/221253485.db2.gz MTGZRNCOWFDOEP-UHFFFAOYSA-N 0 0 397.759 5.244 50 0 GKAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)cc1 ZINC000013000791 221255825 /nfs/dbraw/zinc/25/58/25/221255825.db2.gz REGDDQCXOKQCMK-LBPRGKRZSA-N 0 0 390.817 5.083 50 0 GKAARN CC(=O)c1ccc(NC(=O)[C@H](C)SCc2nc(-c3ccccc3)oc2C)cc1 ZINC000012919500 221245889 /nfs/dbraw/zinc/24/58/89/221245889.db2.gz OZZYKIUYSMFQLE-INIZCTEOSA-N 0 0 394.496 5.113 50 0 GKAARN CCN(CC)c1ccc(-c2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000013325493 221264896 /nfs/dbraw/zinc/26/48/96/221264896.db2.gz ODABWVDSJNBATM-UHFFFAOYSA-N 0 0 386.952 5.274 50 0 GKAARN Cc1ccccc1Cn1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000013331001 221265171 /nfs/dbraw/zinc/26/51/71/221265171.db2.gz IRGPLXHMNREYEH-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN CCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000013284484 221265180 /nfs/dbraw/zinc/26/51/80/221265180.db2.gz XLPQGYXPQCUAEE-UHFFFAOYSA-N 0 0 399.629 6.599 50 0 GKAARN Cc1ccccc1Cn1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)n1 ZINC000013330457 221265238 /nfs/dbraw/zinc/26/52/38/221265238.db2.gz PBOBAKFRYMDCNO-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013325505 221265570 /nfs/dbraw/zinc/26/55/70/221265570.db2.gz JFGXRXNSMLMFKE-UHFFFAOYSA-N 0 0 382.291 5.703 50 0 GKAARN CC(=O)c1cccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000013351195 221266009 /nfs/dbraw/zinc/26/60/09/221266009.db2.gz KUOANACMMMWPHI-UHFFFAOYSA-N 0 0 398.422 5.250 50 0 GKAARN CCc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 ZINC000013362030 221266598 /nfs/dbraw/zinc/26/65/98/221266598.db2.gz WUBBTCQZHBWTOA-JOCHJYFZSA-N 0 0 393.490 5.576 50 0 GKAARN CC[C@@H](C(=O)N1CCCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369443 221266622 /nfs/dbraw/zinc/26/66/22/221266622.db2.gz XGASNZZQUOHMEG-FQEVSTJZSA-N 0 0 395.934 5.710 50 0 GKAARN Fc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(Cl)cc2)cc1 ZINC000013364441 221266830 /nfs/dbraw/zinc/26/68/30/221266830.db2.gz MGWAUKJNHPJLEP-IBGZPJMESA-N 0 0 397.812 5.870 50 0 GKAARN Cc1nc2ccccc2nc1CSc1ccc(NC(=O)c2ccco2)cc1 ZINC000013365409 221266847 /nfs/dbraw/zinc/26/68/47/221266847.db2.gz HZFXYLKDIKCATN-UHFFFAOYSA-N 0 0 375.453 5.076 50 0 GKAARN Cc1cccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000013362257 221266929 /nfs/dbraw/zinc/26/69/29/221266929.db2.gz AZNDWLDMOPLNBY-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN Clc1cc(Cl)c2ncnc(OCc3csc(-c4ccccc4)n3)c2c1 ZINC000013006008 221256633 /nfs/dbraw/zinc/25/66/33/221256633.db2.gz JDVZERKFSJEZFP-UHFFFAOYSA-N 0 0 388.279 5.639 50 0 GKAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000013005970 221257179 /nfs/dbraw/zinc/25/71/79/221257179.db2.gz PNOOGQDIWFKPFH-HSZRJFAPSA-N 0 0 398.462 5.382 50 0 GKAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013369055 221266963 /nfs/dbraw/zinc/26/69/63/221266963.db2.gz ASPLORLPGOBPCP-UHFFFAOYSA-N 0 0 375.859 5.304 50 0 GKAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000013030909 221258787 /nfs/dbraw/zinc/25/87/87/221258787.db2.gz HDWYBAQHWGYPLM-NRFANRHFSA-N 0 0 382.551 6.743 50 0 GKAARN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000013030725 221259131 /nfs/dbraw/zinc/25/91/31/221259131.db2.gz ZWBDZVWZZHPCFY-RUCTVCJSSA-N 0 0 394.562 7.100 50 0 GKAARN CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cccc(O)c3)C[C@@H]21 ZINC000013036477 221259148 /nfs/dbraw/zinc/25/91/48/221259148.db2.gz WTAVLZUJYRMFQY-PGRDOPGGSA-N 0 0 392.480 5.095 50 0 GKAARN C[C@@H]1CCc2c(sc3ncnc(Sc4ccc5c(c4)OCCCO5)c23)C1 ZINC000013073087 221260512 /nfs/dbraw/zinc/26/05/12/221260512.db2.gz QJACOLUGPQFCGE-GFCCVEGCSA-N 0 0 384.526 5.129 50 0 GKAARN Cc1ccccc1-n1c(=S)n(CN2CCCC2)nc1-c1ccc(Cl)cc1 ZINC000013063495 221260985 /nfs/dbraw/zinc/26/09/85/221260985.db2.gz IRKJMDKZNSQFFN-UHFFFAOYSA-N 0 0 384.936 5.085 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000013071836 221261040 /nfs/dbraw/zinc/26/10/40/221261040.db2.gz FJKOEAHPKFGPDM-UHFFFAOYSA-N 0 0 392.952 5.039 50 0 GKAARN Cc1cc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc(C)c1Cl ZINC000013367501 221267045 /nfs/dbraw/zinc/26/70/45/221267045.db2.gz KLAMTYQJLXSLKX-UHFFFAOYSA-N 0 0 396.899 5.272 50 0 GKAARN COc1ccc(CNc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC ZINC000013144896 221262893 /nfs/dbraw/zinc/26/28/93/221262893.db2.gz RVOHOLXWVBFBNV-UHFFFAOYSA-N 0 0 387.483 5.022 50 0 GKAARN O=C(c1ccccc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616610 221277102 /nfs/dbraw/zinc/27/71/02/221277102.db2.gz PBPZWQVXKILORB-UTKZUKDTSA-N 0 0 394.883 5.154 50 0 GKAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(C)n2)c1 ZINC000013595314 221277312 /nfs/dbraw/zinc/27/73/12/221277312.db2.gz NFTWXSCLAVACGT-RUZDIDTESA-N 0 0 383.495 5.028 50 0 GKAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc(C)cc1 ZINC000013369991 221268046 /nfs/dbraw/zinc/26/80/46/221268046.db2.gz WNLCJDHERJTPQY-UXHICEINSA-N 0 0 392.547 5.028 50 0 biogenic GKAARN CCOc1ccc([C@H](Nc2ccc(C)cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000013468394 221268922 /nfs/dbraw/zinc/26/89/22/221268922.db2.gz LYMPIGUWBRSNLO-YPXVIYJXSA-N 0 0 375.405 5.523 50 0 GKAARN O=C(CCCCCNc1[nH]c(=S)nc2ccccc21)NCCC1=CCCCC1 ZINC000013496856 221270430 /nfs/dbraw/zinc/27/04/30/221270430.db2.gz DIVMJSIURBWCHR-UHFFFAOYSA-N 0 0 398.576 5.271 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C\c2ccc(C(C)C)cc2)sc2c1CCCC2 ZINC000013533584 221271396 /nfs/dbraw/zinc/27/13/96/221271396.db2.gz CQGYLSAFNRLRDJ-KAMYIIQDSA-N 0 0 397.540 5.579 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)N(Cc1ccco1)[C@H](C)c1ccccn1 ZINC000013544668 221271542 /nfs/dbraw/zinc/27/15/42/221271542.db2.gz HPRHJXDHXQGCNZ-OAHLLOKOSA-N 0 0 385.920 5.597 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=S)Nc2cccc(Cl)c2C)cc1OC ZINC000013523995 221271678 /nfs/dbraw/zinc/27/16/78/221271678.db2.gz KELRDBMULRYLAZ-QGZVFWFLSA-N 0 0 390.936 5.200 50 0 GKAARN CCOC(=O)Nc1sc(NC(=O)c2cccs2)nc1-c1ccc(C)cc1 ZINC000013551815 221273018 /nfs/dbraw/zinc/27/30/18/221273018.db2.gz AFMJWIUDGSUEFV-UHFFFAOYSA-N 0 0 387.486 5.001 50 0 GKAARN Cc1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCCC3)cc1 ZINC000013765016 221287905 /nfs/dbraw/zinc/28/79/05/221287905.db2.gz AWRHPMIRRMMWRT-UHFFFAOYSA-N 0 0 377.557 5.930 50 0 GKAARN CSc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000013775003 221288323 /nfs/dbraw/zinc/28/83/23/221288323.db2.gz YBIOIMORGSGCNP-JCMHNJIXSA-N 0 0 399.519 5.521 50 0 GKAARN C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1 ZINC000013785208 221289648 /nfs/dbraw/zinc/28/96/48/221289648.db2.gz UTTRCGIIFYNNRJ-INIZCTEOSA-N 0 0 389.886 5.229 50 0 GKAARN COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2Cc2cccnc2)cc1 ZINC000013810856 221290340 /nfs/dbraw/zinc/29/03/40/221290340.db2.gz PADROLOXWMANCY-BZZOAKBMSA-N 0 0 387.508 5.209 50 0 GKAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1cccc2ncccc21 ZINC000013689960 221282546 /nfs/dbraw/zinc/28/25/46/221282546.db2.gz WQRCKCHDOQOINL-UHFFFAOYSA-N 0 0 379.872 5.572 50 0 GKAARN Cc1ccc2cc(CN(C(=O)C3CCCCC3)c3ccccc3C)c(=O)[nH]c2c1 ZINC000013714840 221282997 /nfs/dbraw/zinc/28/29/97/221282997.db2.gz DGNQGFXVPKYHLD-UHFFFAOYSA-N 0 0 388.511 5.258 50 0 GKAARN O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc32)N1CCc1ccc(Cl)cc1 ZINC000013844870 221291618 /nfs/dbraw/zinc/29/16/18/221291618.db2.gz YCROPGGFJVACAN-QHCPKHFHSA-N 0 0 386.882 5.609 50 0 GKAARN CCCCOCCCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000013942332 221293112 /nfs/dbraw/zinc/29/31/12/221293112.db2.gz OGOGPFBDAIDDLE-HSZRJFAPSA-N 0 0 376.500 5.228 50 0 GKAARN CC(C)(C)c1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(C(C)(C)C)c1O ZINC000013924817 221293227 /nfs/dbraw/zinc/29/32/27/221293227.db2.gz PKBNOIGJYHBNNM-RGEXLXHISA-N 0 0 377.484 5.332 50 0 GKAARN COc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000013881014 221293625 /nfs/dbraw/zinc/29/36/25/221293625.db2.gz XNHCEUZMVQEBPY-ZROIWOOFSA-N 0 0 380.252 5.243 50 0 GKAARN Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccccc3Cl)ccc2C)c1 ZINC000013956494 221294500 /nfs/dbraw/zinc/29/45/00/221294500.db2.gz RDBPAAJTQMYLNJ-UHFFFAOYSA-N 0 0 378.859 5.461 50 0 GKAARN Cn1nc(C2CC2)c2c1nc(-c1ccc(Br)cc1)cc2C(F)F ZINC000013961010 221294506 /nfs/dbraw/zinc/29/45/06/221294506.db2.gz ZRSWWDUZFYDQEP-UHFFFAOYSA-N 0 0 378.220 5.213 50 0 GKAARN COC(=O)c1c(NC(=O)Cc2ccc3ccccc3c2)sc2c1CCCCC2 ZINC000013973018 221294799 /nfs/dbraw/zinc/29/47/99/221294799.db2.gz YTGCLHYQPZHPOU-UHFFFAOYSA-N 0 0 393.508 5.138 50 0 GKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000013988053 221294824 /nfs/dbraw/zinc/29/48/24/221294824.db2.gz AAXGHKYSAGRWIE-WDEREUQCSA-N 0 0 388.747 6.005 50 0 GKAARN CC1=Nn2c(nnc2C(F)F)S/C1=C\c1ccc2c(c1)c1ccccc1n2C ZINC000013958237 221294845 /nfs/dbraw/zinc/29/48/45/221294845.db2.gz OLKSPQDVNWAFTL-YVLHZVERSA-N 0 0 395.438 5.231 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000014085276 221298528 /nfs/dbraw/zinc/29/85/28/221298528.db2.gz LTTCBHSFJQWKJP-UHFFFAOYSA-N 0 0 376.790 5.153 50 0 GKAARN CC(C)(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)cc1 ZINC000014077906 221298854 /nfs/dbraw/zinc/29/88/54/221298854.db2.gz PBIRZVRPUPNHJR-UHFFFAOYSA-N 0 0 378.497 5.550 50 0 GKAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nc2ccccc2s1 ZINC000014118096 221299410 /nfs/dbraw/zinc/29/94/10/221299410.db2.gz HXYXXDSESLAKOK-LBPRGKRZSA-N 0 0 398.582 5.728 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1Cl ZINC000014122451 221300175 /nfs/dbraw/zinc/30/01/75/221300175.db2.gz JMHHJBOXAUTTCA-UHFFFAOYSA-N 0 0 378.859 5.147 50 0 GKAARN CCOc1ccccc1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1 ZINC000014595488 221312088 /nfs/dbraw/zinc/31/20/88/221312088.db2.gz XFUIZGDAHRBIAP-UHFFFAOYSA-N 0 0 377.469 5.251 50 0 GKAARN Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c(Cl)c1 ZINC000014201578 221304461 /nfs/dbraw/zinc/30/44/61/221304461.db2.gz JKUSAIBPRPAGBC-UHFFFAOYSA-N 0 0 398.894 5.846 50 0 GKAARN CC(C)Cc1ccc(C(=O)N2CCC(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000014968719 221322237 /nfs/dbraw/zinc/32/22/37/221322237.db2.gz VIQISSMSSZBSRD-UHFFFAOYSA-N 0 0 399.538 5.362 50 0 GKAARN Cc1oc(-c2cccc3ccccc32)nc1CN(C)Cc1cccc2ncccc12 ZINC000014970697 221322417 /nfs/dbraw/zinc/32/24/17/221322417.db2.gz OBIDYRHGRNMNSS-UHFFFAOYSA-N 0 0 393.490 5.983 50 0 GKAARN COc1c(Br)cc(Cl)cc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000014555406 221312524 /nfs/dbraw/zinc/31/25/24/221312524.db2.gz DNZCAVVSAXZXIA-LLVKDONJSA-N 0 0 382.685 5.243 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014826092 221317913 /nfs/dbraw/zinc/31/79/13/221317913.db2.gz RZSRMQKWULMODP-UHFFFAOYSA-N 0 0 393.082 5.557 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000014771830 221318061 /nfs/dbraw/zinc/31/80/61/221318061.db2.gz XVWXOJRVOSTRSH-UHFFFAOYSA-N 0 0 396.462 5.358 50 0 GKAARN Cc1ncc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)s1 ZINC000014955179 221320699 /nfs/dbraw/zinc/32/06/99/221320699.db2.gz PZDJEEXLVFQWDA-JOCHJYFZSA-N 0 0 377.488 5.220 50 0 GKAARN CC(C)(C)[C@H]1CCc2c(sc3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 ZINC000015106907 221332832 /nfs/dbraw/zinc/33/28/32/221332832.db2.gz UBYQGQKUABVZBL-DZGCQCFKSA-N 0 0 383.513 5.102 50 0 GKAARN COc1cccc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccccc4)c(C)c32)c1 ZINC000015106666 221332869 /nfs/dbraw/zinc/33/28/69/221332869.db2.gz OHZUSIMZWPRNQP-QGZVFWFLSA-N 0 0 392.480 5.441 50 0 GKAARN O=C(CNc1cccc(Br)c1)Nc1ccccc1Oc1ccccc1 ZINC000015327499 221335287 /nfs/dbraw/zinc/33/52/87/221335287.db2.gz NURWVRMGGGCAFZ-UHFFFAOYSA-N 0 0 397.272 5.292 50 0 GKAARN Cc1cc(C)c(NC(=O)CN[C@H](c2cccs2)c2ccc(F)cc2)c(C)c1 ZINC000015358587 221335349 /nfs/dbraw/zinc/33/53/49/221335349.db2.gz PCJYKKOPJUIEKQ-QFIPXVFZSA-N 0 0 382.504 5.130 50 0 GKAARN Cc1cccc(C)c1NC(=O)[C@H](C)SCc1cccc(Br)c1 ZINC000015493449 221336362 /nfs/dbraw/zinc/33/63/62/221336362.db2.gz GJACXOXKFNNJKH-AWEZNQCLSA-N 0 0 378.335 5.326 50 0 GKAARN O=C(c1cccc(Br)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015539159 221336730 /nfs/dbraw/zinc/33/67/30/221336730.db2.gz JAQXFYCKUAECRL-HNNXBMFYSA-N 0 0 387.302 5.036 50 0 GKAARN O=C(Nc1ccc(Br)cc1F)c1ccc(COc2ccccc2)o1 ZINC000015008133 221326502 /nfs/dbraw/zinc/32/65/02/221326502.db2.gz BJHRVXYSXVBMJG-UHFFFAOYSA-N 0 0 390.208 5.013 50 0 GKAARN CCCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016769 221326946 /nfs/dbraw/zinc/32/69/46/221326946.db2.gz DUNKYDKHXXHSBW-XXBNENTESA-N 0 0 390.508 5.779 50 0 GKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1C ZINC000015016751 221326990 /nfs/dbraw/zinc/32/69/90/221326990.db2.gz GXLCOBJUJMRHDX-GCJKJVERSA-N 0 0 376.481 5.307 50 0 GKAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000015076941 221331111 /nfs/dbraw/zinc/33/11/11/221331111.db2.gz HYANDCPOYVYJLU-AWEZNQCLSA-N 0 0 377.271 5.120 50 0 GKAARN COc1ccc(-c2noc(-c3cccnc3NCc3ccccc3Cl)n2)cc1 ZINC000015669987 221338881 /nfs/dbraw/zinc/33/88/81/221338881.db2.gz WMHWDRVDOYEMNE-UHFFFAOYSA-N 0 0 392.846 5.073 50 0 GKAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1COc1ccccc1 ZINC000015682065 221339846 /nfs/dbraw/zinc/33/98/46/221339846.db2.gz NNNFUFIVXLATFN-UHFFFAOYSA-N 0 0 398.462 5.159 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1ccccc1Cl ZINC000015681454 221339986 /nfs/dbraw/zinc/33/99/86/221339986.db2.gz ZQETVXBFBCUUOT-UHFFFAOYSA-N 0 0 390.874 5.186 50 0 GKAARN C[C@@H]1CCCC[C@H]1NC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678356 221340021 /nfs/dbraw/zinc/34/00/21/221340021.db2.gz HGJUYCWGKPKFMB-WZONZLPQSA-N 0 0 392.518 5.456 50 0 GKAARN Fc1ccc([C@@H](Nc2ccc(F)cc2Cl)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733643 221342237 /nfs/dbraw/zinc/34/22/37/221342237.db2.gz XJMURRFZBMPWJF-LJQANCHMSA-N 0 0 397.812 5.870 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3cc(C)cc(C)c3)c2C)c1-c1cccc(C)c1 ZINC000015733104 221342630 /nfs/dbraw/zinc/34/26/30/221342630.db2.gz NQKIMRYBVMBHGA-UHFFFAOYSA-N 0 0 384.483 5.191 50 0 GKAARN Cc1c(C[NH2+][C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776782 221344148 /nfs/dbraw/zinc/34/41/48/221344148.db2.gz XFAUNXOVRFADSW-QGZVFWFLSA-N 0 0 376.500 5.011 50 0 GKAARN CCCCN(Cc1ccco1)c1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000015781601 221344700 /nfs/dbraw/zinc/34/47/00/221344700.db2.gz YZJQDODULVCHJV-UHFFFAOYSA-N 0 0 387.483 5.705 50 0 GKAARN Cc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000015837646 221346433 /nfs/dbraw/zinc/34/64/33/221346433.db2.gz COUARROGFQMQFJ-VKAVYKQESA-N 0 0 379.463 5.500 50 0 GKAARN Cc1ccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000015835549 221347060 /nfs/dbraw/zinc/34/70/60/221347060.db2.gz OSGNCGZRSJIKDP-QHCPKHFHSA-N 0 0 390.508 5.165 50 0 GKAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000015842296 221347424 /nfs/dbraw/zinc/34/74/24/221347424.db2.gz ZWXGXJGWWRZYEP-UHFFFAOYSA-N 0 0 391.837 5.145 50 0 GKAARN Cc1c(C)n(-c2ccc(C)c(C)c2)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000015842354 221347582 /nfs/dbraw/zinc/34/75/82/221347582.db2.gz XVGNRWGGOODIIX-UHFFFAOYSA-N 0 0 381.483 5.277 50 0 GKAARN Cc1c(C)n(-c2ccc(C)c(C)c2)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000015842342 221347587 /nfs/dbraw/zinc/34/75/87/221347587.db2.gz XRBFOFMEUGLWDI-UHFFFAOYSA-N 0 0 381.483 5.277 50 0 GKAARN CCCCOc1ccc(NC(=O)COc2c(C)cccc2C)c2cccnc12 ZINC000015841094 221347644 /nfs/dbraw/zinc/34/76/44/221347644.db2.gz KGDAOBKSSDAZGR-UHFFFAOYSA-N 0 0 378.472 5.048 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1Cl ZINC000015840583 221347671 /nfs/dbraw/zinc/34/76/71/221347671.db2.gz NXOSQBZBJDRBDH-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN CCN(CC)c1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 ZINC000015840205 221348018 /nfs/dbraw/zinc/34/80/18/221348018.db2.gz RNEJHFKSVHZRTI-UHFFFAOYSA-N 0 0 385.558 5.207 50 0 GKAARN CCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2cccnc12 ZINC000015840974 221348032 /nfs/dbraw/zinc/34/80/32/221348032.db2.gz ZEJYEGZSPGKIEG-KRWDZBQOSA-N 0 0 378.472 5.046 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)c2cccnc12 ZINC000015841145 221348051 /nfs/dbraw/zinc/34/80/51/221348051.db2.gz UHLJTDSFMRDNFF-IBGZPJMESA-N 0 0 396.462 5.349 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2cccnc12 ZINC000015841114 221348122 /nfs/dbraw/zinc/34/81/22/221348122.db2.gz GONSCWLNRCYTJP-SFHVURJKSA-N 0 0 392.499 5.437 50 0 GKAARN Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCC2)o1 ZINC000015860409 221348636 /nfs/dbraw/zinc/34/86/36/221348636.db2.gz VEXWGXMNXFOKRQ-HXUWFJFHSA-N 0 0 394.515 5.216 50 0 GKAARN Cc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)cc1C ZINC000015858691 221348971 /nfs/dbraw/zinc/34/89/71/221348971.db2.gz BXRWQCFTKXRLHE-UHFFFAOYSA-N 0 0 393.490 5.404 50 0 GKAARN Cc1ccc(CCNC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 ZINC000015865011 221349980 /nfs/dbraw/zinc/34/99/80/221349980.db2.gz CFMCRKCDAAMBLL-UHFFFAOYSA-N 0 0 390.870 5.429 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865025 221350109 /nfs/dbraw/zinc/35/01/09/221350109.db2.gz MSNLKCMQUXSRQL-UHFFFAOYSA-N 0 0 384.769 5.679 50 0 GKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)Nc1cccc(Cl)c1 ZINC000015865242 221350277 /nfs/dbraw/zinc/35/02/77/221350277.db2.gz FAODAOMLGMLHQR-HXUWFJFHSA-N 0 0 389.886 5.775 50 0 GKAARN CCn1c(CCc2cccc(NC(=O)c3ccccc3C)c2)nc2ccccc21 ZINC000015863671 221350333 /nfs/dbraw/zinc/35/03/33/221350333.db2.gz BFTRPRJMSVIVQH-UHFFFAOYSA-N 0 0 383.495 5.402 50 0 GKAARN CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1 ZINC000015883025 221350813 /nfs/dbraw/zinc/35/08/13/221350813.db2.gz NDYIVQBMTJEPSK-UHFFFAOYSA-N 0 0 398.865 5.065 50 0 GKAARN CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)o1 ZINC000015881532 221350874 /nfs/dbraw/zinc/35/08/74/221350874.db2.gz FEVUZMNSHVAWSE-UHFFFAOYSA-N 0 0 385.389 5.882 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(-c3ccc4cc(C)ccc4n3)cc2)c(OC)c1 ZINC000015868529 221351268 /nfs/dbraw/zinc/35/12/68/221351268.db2.gz QJXYNZKGWGPBPN-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN CCOc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016355674 221360347 /nfs/dbraw/zinc/36/03/47/221360347.db2.gz PNLDNTOBWZRHTH-IBGZPJMESA-N 0 0 383.879 5.126 50 0 GKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1Cl ZINC000016313001 221360372 /nfs/dbraw/zinc/36/03/72/221360372.db2.gz LEMJOFUPCKUIDI-HXUWFJFHSA-N 0 0 375.859 5.900 50 0 GKAARN O=C(NC(=S)Nc1ccccc1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000016399750 221361595 /nfs/dbraw/zinc/36/15/95/221361595.db2.gz XLMXXHLTZUSSIU-ISVJADKWSA-N 0 0 390.552 5.038 50 0 GKAARN O=c1oc2ccccc2cc1-c1csc(SCc2nc3ccccc3[nH]2)n1 ZINC000016525682 221365139 /nfs/dbraw/zinc/36/51/39/221365139.db2.gz FKZGMEUUODKILA-UHFFFAOYSA-N 0 0 391.477 5.085 50 0 GKAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2cc(Cl)ccc2Cl)cc1 ZINC000016656069 221367586 /nfs/dbraw/zinc/36/75/86/221367586.db2.gz JAHFYHFGUIVOML-LLVKDONJSA-N 0 0 382.312 5.166 50 0 GKAARN CCCCc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 ZINC000016678212 221368393 /nfs/dbraw/zinc/36/83/93/221368393.db2.gz VEPGGYQRMJOQEA-UHFFFAOYSA-N 0 0 379.931 6.874 50 0 GKAARN Cc1c(=O)c2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2oc1-c1ccccc1 ZINC000016022571 221354921 /nfs/dbraw/zinc/35/49/21/221354921.db2.gz WVPRSWJPTDUHSC-INIZCTEOSA-N 0 0 395.458 5.360 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000016035347 221356070 /nfs/dbraw/zinc/35/60/70/221356070.db2.gz XHCWXKRYZACRFO-JUXOCIIHSA-N 0 0 399.531 5.038 50 0 GKAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc(Br)cc1 ZINC000016028055 221356355 /nfs/dbraw/zinc/35/63/55/221356355.db2.gz WVNZHOCTQHVJSU-UHFFFAOYSA-N 0 0 375.291 5.020 50 0 GKAARN COc1ccc(NC2=NC(=S)N(c3cccc(C)c3)C23CCCCC3)cc1 ZINC000017241839 221381949 /nfs/dbraw/zinc/38/19/49/221381949.db2.gz RBKNLIRVBNRHNA-UHFFFAOYSA-N 0 0 379.529 5.322 50 0 GKAARN CCC(CC)C(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000017268986 221382566 /nfs/dbraw/zinc/38/25/66/221382566.db2.gz JIXICCNVJFCXTG-UHFFFAOYSA-N 0 0 389.503 5.647 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000016902565 221373325 /nfs/dbraw/zinc/37/33/25/221373325.db2.gz VVEHKXIPUDGGFD-IBGZPJMESA-N 0 0 375.516 5.364 50 0 GKAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccccc2C)c1 ZINC000016902420 221373338 /nfs/dbraw/zinc/37/33/38/221373338.db2.gz HYDZCWSVPFRCDO-HXUWFJFHSA-N 0 0 397.522 5.501 50 0 GKAARN COc1cccc(NC(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)c1 ZINC000016944564 221374098 /nfs/dbraw/zinc/37/40/98/221374098.db2.gz UIWASIFWSITPQT-UHFFFAOYSA-N 0 0 382.489 5.155 50 0 GKAARN S=C(Nc1cccc(Br)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000016941753 221374141 /nfs/dbraw/zinc/37/41/41/221374141.db2.gz WSXWOBITXJJFKK-UHFFFAOYSA-N 0 0 376.106 5.565 50 0 GKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2s1 ZINC000017079506 221377439 /nfs/dbraw/zinc/37/74/39/221377439.db2.gz UDDPLDJISKLSAD-UHFFFAOYSA-N 0 0 389.480 5.440 50 0 GKAARN Cc1ccc(-c2nn(C3CCCC3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C ZINC000017077516 221377486 /nfs/dbraw/zinc/37/74/86/221377486.db2.gz UNHPGTJWNCDGMU-UHFFFAOYSA-N 0 0 378.947 7.219 50 0 GKAARN CCCC[C@@H](CC)C(=O)NCCCCCCCCNC(=O)[C@@H](CC)CCCC ZINC000017081172 221378247 /nfs/dbraw/zinc/37/82/47/221378247.db2.gz PGGIIOXWVBFEJQ-SZPZYZBQSA-N 0 0 396.660 5.992 50 0 GKAARN Cc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017079825 221378559 /nfs/dbraw/zinc/37/85/59/221378559.db2.gz OFAFDBLBWSAGPA-UHFFFAOYSA-N 0 0 390.889 6.675 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cn3cc(Cl)cn3)n2)cc1C ZINC000017079844 221378683 /nfs/dbraw/zinc/37/86/83/221378683.db2.gz CDUOAFORTGCAHY-UHFFFAOYSA-N 0 0 390.918 5.806 50 0 GKAARN Cc1cccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 ZINC000017080723 221378702 /nfs/dbraw/zinc/37/87/02/221378702.db2.gz OZAXDLBYDDMCNB-UHFFFAOYSA-N 0 0 394.852 6.505 50 0 GKAARN COc1cc(CN(C(=O)Nc2cccc(Cl)c2)C2CC2)ccc1OC(F)F ZINC000017743679 221385390 /nfs/dbraw/zinc/38/53/90/221385390.db2.gz RFDAAULAJFARJJ-UHFFFAOYSA-N 0 0 396.821 5.147 50 0 GKAARN Cc1cccc(NC=C2C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)c1 ZINC000017723596 221385427 /nfs/dbraw/zinc/38/54/27/221385427.db2.gz WTUPFGISEVGKDQ-KGENOOAVSA-N 0 0 388.854 5.288 50 0 GKAARN CSc1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000017972248 221385722 /nfs/dbraw/zinc/38/57/22/221385722.db2.gz GZKVSDDADFLZCP-UHFFFAOYSA-N 0 0 399.519 5.291 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000017993366 221386613 /nfs/dbraw/zinc/38/66/13/221386613.db2.gz VTYJVOGSIGIAFH-HDICACEKSA-N 0 0 386.539 5.945 50 0 GKAARN CCc1cccc2c(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c[nH]c21 ZINC000018179346 221388477 /nfs/dbraw/zinc/38/84/77/221388477.db2.gz RJMIXVHVVBYJHP-MFOYZWKCSA-N 0 0 382.872 5.625 50 0 GKAARN CCOc1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000018205198 221390586 /nfs/dbraw/zinc/39/05/86/221390586.db2.gz SZHOJRBWXRAUSN-XQNSMLJCSA-N 0 0 398.462 5.034 50 0 GKAARN CCOC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000019118811 221398308 /nfs/dbraw/zinc/39/83/08/221398308.db2.gz IRVSMQVHKDSPBC-UHFFFAOYSA-N 0 0 394.902 5.722 50 0 GKAARN Clc1ccc([C@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN32)cc1Cl ZINC000019331827 221407516 /nfs/dbraw/zinc/40/75/16/221407516.db2.gz NCTAKURMVKIVDE-RXVVDRJESA-N 0 0 375.343 5.752 50 0 GKAARN CC(C)COc1ccc(NCc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738161 221448997 /nfs/dbraw/zinc/44/89/97/221448997.db2.gz YPDFCVLCLALJOR-UHFFFAOYSA-N 0 0 391.511 5.791 50 0 GKAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000020096461 221471320 /nfs/dbraw/zinc/47/13/20/221471320.db2.gz NSIJHBLRPMMQQD-UHFFFAOYSA-N 0 0 388.467 5.291 50 0 GKAARN CCCN(C(=O)NCc1noc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000020516675 221496459 /nfs/dbraw/zinc/49/64/59/221496459.db2.gz BSGGFTWHSSQKOG-UHFFFAOYSA-N 0 0 378.259 5.261 50 0 GKAARN C[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)c1noc2c1CCc1sccc1-2 ZINC000020597939 221502329 /nfs/dbraw/zinc/50/23/29/221502329.db2.gz GZPPEIANIKITPA-HDDXYUSQSA-N 0 0 396.556 5.227 50 0 GKAARN FC(F)(F)c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000020605915 221503125 /nfs/dbraw/zinc/50/31/25/221503125.db2.gz RFIAALLMCAOKHI-IRLDBZIGSA-N 0 0 394.396 5.948 50 0 GKAARN CCc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)s1 ZINC000020604734 221503685 /nfs/dbraw/zinc/50/36/85/221503685.db2.gz NBRKYGSXTQJIJO-UHFFFAOYSA-N 0 0 391.393 5.869 50 0 GKAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2ccco2)cc3C(F)(F)F)cc1 ZINC000020604356 221503835 /nfs/dbraw/zinc/50/38/35/221503835.db2.gz FXMZJYYWVLVZJZ-UHFFFAOYSA-N 0 0 399.372 5.585 50 0 GKAARN Cc1nn(C)cc1-c1cc(C(F)F)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000020602966 221503943 /nfs/dbraw/zinc/50/39/43/221503943.db2.gz GIRSEAJTVOXOTH-UHFFFAOYSA-N 0 0 397.404 5.084 50 0 GKAARN Clc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1 ZINC000020852518 221513311 /nfs/dbraw/zinc/51/33/11/221513311.db2.gz OXXMESNQELISPW-LJQANCHMSA-N 0 0 396.277 6.245 50 0 GKAARN Fc1ccc([C@H](Nc2cccc(Cl)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020852996 221513521 /nfs/dbraw/zinc/51/35/21/221513521.db2.gz VCGVFAOLIKMALI-IBGZPJMESA-N 0 0 379.822 5.731 50 0 GKAARN O=C(NCc1ccccn1)c1cc(-c2ccccc2)c(N2CCCCCC2)s1 ZINC000020985731 221520989 /nfs/dbraw/zinc/52/09/89/221520989.db2.gz PZMNHMYVCYPMBY-UHFFFAOYSA-N 0 0 391.540 5.121 50 0 GKAARN O=C(NCc1cccn1Cc1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000020995805 221522960 /nfs/dbraw/zinc/52/29/60/221522960.db2.gz DITDTTCBKUGOKH-UHFFFAOYSA-N 0 0 391.368 5.016 50 0 GKAARN COc1ccc(Cl)cc1N(C)C(=O)c1cc2cc3cc(C)ccc3nc2s1 ZINC000021054177 221525119 /nfs/dbraw/zinc/52/51/19/221525119.db2.gz MVJNJZLBKPWRTJ-UHFFFAOYSA-N 0 0 396.899 5.697 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078429 132425906 /nfs/dbraw/zinc/42/59/06/132425906.db2.gz JRJNYNBDPZAWHS-UHFFFAOYSA-N 0 0 390.870 5.185 50 0 GKAARN O=C(Nc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078778 132426203 /nfs/dbraw/zinc/42/62/03/132426203.db2.gz RLCWQKOJOFMCPA-UHFFFAOYSA-N 0 0 390.870 5.185 50 0 GKAARN O=C(Nc1ccccc1N1CCCCC1)N(Cc1ccco1)Cc1ccco1 ZINC000057888729 136153982 /nfs/dbraw/zinc/15/39/82/136153982.db2.gz SJUZLJDTPJPYSR-UHFFFAOYSA-N 0 0 379.460 5.097 50 0 GKAARN Cc1ccc2nc(C(=O)Nc3cccc(Cl)c3)cc(N3CCCCC3)c2c1 ZINC000064568323 136156893 /nfs/dbraw/zinc/15/68/93/136156893.db2.gz WHICVEKZXXMWKE-UHFFFAOYSA-N 0 0 379.891 5.439 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000064568328 136156895 /nfs/dbraw/zinc/15/68/95/136156895.db2.gz BRCPKZSMBDEMHH-UHFFFAOYSA-N 0 0 389.499 5.185 50 0 GKAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000064687779 136157393 /nfs/dbraw/zinc/15/73/93/136157393.db2.gz GILMAVXUJYWKIF-UHFFFAOYSA-N 0 0 399.494 5.080 50 0 GKAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4ccccc4)cc3)C2=O)c1 ZINC000064687837 136157545 /nfs/dbraw/zinc/15/75/45/136157545.db2.gz PHIRTWMNFPQOTC-UHFFFAOYSA-N 0 0 399.494 5.080 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025729 136158804 /nfs/dbraw/zinc/15/88/04/136158804.db2.gz FSSCYNGXUSMIAY-UHFFFAOYSA-N 0 0 392.890 5.040 50 0 GKAARN COc1cccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)c1 ZINC000065029733 136158885 /nfs/dbraw/zinc/15/88/85/136158885.db2.gz KJECNARRUVYXHC-UHFFFAOYSA-N 0 0 394.450 5.017 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)c1 ZINC000065025725 136158894 /nfs/dbraw/zinc/15/88/94/136158894.db2.gz NXXWPQLUXZCVDP-UHFFFAOYSA-N 0 0 386.499 5.003 50 0 GKAARN Cc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)c(C)c1 ZINC000065029760 136159008 /nfs/dbraw/zinc/15/90/08/136159008.db2.gz QUAUUFMGELCCAP-UHFFFAOYSA-N 0 0 392.478 5.625 50 0 GKAARN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(CCc2ccccc2)c2ccccc21 ZINC000095115693 136177776 /nfs/dbraw/zinc/17/77/76/136177776.db2.gz VVOHQIIOHYQWPX-FQRUVTKNSA-N 0 0 384.523 5.622 50 0 GKAARN CSc1ccc2c(C)cc(N3CCC(c4nccn4CC4CC4)CC3)nc2c1 ZINC000095519264 136180876 /nfs/dbraw/zinc/18/08/76/136180876.db2.gz YAQKGIKKQDBCKY-UHFFFAOYSA-N 0 0 392.572 5.256 50 0 GKAARN CSc1ccc2c(C)cc(N3CCC[C@@H](c4nccn4C(C)C)C3)nc2c1 ZINC000095525609 136181351 /nfs/dbraw/zinc/18/13/51/136181351.db2.gz OHFFZHWKKYGSGM-QGZVFWFLSA-N 0 0 380.561 5.427 50 0 GKAARN Cc1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1 ZINC000096386596 136186675 /nfs/dbraw/zinc/18/66/75/136186675.db2.gz SRLYRBPVSSGBKR-UHFFFAOYSA-N 0 0 387.487 5.086 50 0 GKAARN Cc1ccccc1NC(=O)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386588 136186739 /nfs/dbraw/zinc/18/67/39/136186739.db2.gz RZLGHLJQSJRQCO-UHFFFAOYSA-N 0 0 387.487 5.086 50 0 GKAARN Cc1nc(/C=C\C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cs1 ZINC000098002444 136188845 /nfs/dbraw/zinc/18/88/45/136188845.db2.gz ABIJDFXDUVCXMN-VURMDHGXSA-N 0 0 395.450 5.113 50 0 GKAARN CC[C@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000102674948 136190412 /nfs/dbraw/zinc/19/04/12/136190412.db2.gz GLNVZQXUYKDTJH-UCFCWBNQSA-N 0 0 384.523 6.159 50 0 GKAARN Cc1ccc(N2COc3c(C)c4oc(=O)cc(-c5ccccc5)c4cc3C2)cc1C ZINC000002117030 136193342 /nfs/dbraw/zinc/19/33/42/136193342.db2.gz SWUDMPWFFUWLHR-UHFFFAOYSA-N 0 0 397.474 5.742 50 0 biogenic GKAARN CCCCc1ccc(N2COc3c(C)c4oc(=O)cc(CC)c4cc3C2)cc1 ZINC000002159134 136193351 /nfs/dbraw/zinc/19/33/51/136193351.db2.gz QTSHGGXOGOZLLD-UHFFFAOYSA-N 0 0 377.484 5.363 50 0 biogenic GKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1cccc(F)c1)CO2 ZINC000002158385 136193354 /nfs/dbraw/zinc/19/33/54/136193354.db2.gz NWBGIRVCFXZCBP-UHFFFAOYSA-N 0 0 387.410 5.264 50 0 biogenic GKAARN Cc1ccccc1N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 ZINC000002160228 136193355 /nfs/dbraw/zinc/19/33/55/136193355.db2.gz ABMMKCRSLZWCCX-UHFFFAOYSA-N 0 0 397.474 5.357 50 0 biogenic GKAARN CCCCc1ccc(N2COc3c(C)c4oc(=O)cc(CCC)c4cc3C2)cc1 ZINC000002160502 136193365 /nfs/dbraw/zinc/19/33/65/136193365.db2.gz IMLWXZYQUQHGCU-UHFFFAOYSA-N 0 0 391.511 5.753 50 0 biogenic GKAARN Cc1cccc2c1[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)Cc1ccccc1 ZINC000002493626 136193413 /nfs/dbraw/zinc/19/34/13/136193413.db2.gz ANBBTIOYJKWLPT-MHZLTWQESA-N 0 0 383.535 6.059 50 0 GKAARN Cc1cccc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)c1C ZINC000003216024 136193563 /nfs/dbraw/zinc/19/35/63/136193563.db2.gz RHWSEUPPCHEGSS-UHFFFAOYSA-N 0 0 386.495 5.058 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc2c(s1)CCC2 ZINC000003230857 136193575 /nfs/dbraw/zinc/19/35/75/136193575.db2.gz OHLLSROOAIGZNL-UHFFFAOYSA-N 0 0 394.462 5.498 50 0 GKAARN O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCCc2ccccc21 ZINC000003444501 136193608 /nfs/dbraw/zinc/19/36/08/136193608.db2.gz PIJSHAINXUAJOT-UHFFFAOYSA-N 0 0 381.397 5.965 50 0 GKAARN COc1ccc(/C=C\C(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000005959846 136195006 /nfs/dbraw/zinc/19/50/06/136195006.db2.gz KKVKZTFKPZJVGM-OWBHPGMISA-N 0 0 389.476 5.547 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ncc(Cl)c(Cl)c1Cl ZINC000007780893 136195382 /nfs/dbraw/zinc/19/53/82/136195382.db2.gz XPUGSUXBMFMITP-UHFFFAOYSA-N 0 0 384.694 5.284 50 0 GKAARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1Br ZINC000001065269 136195952 /nfs/dbraw/zinc/19/59/52/136195952.db2.gz LVBNKJDTDSMXMN-UHFFFAOYSA-N 0 0 393.712 5.345 50 0 GKAARN CN(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001162097 136196020 /nfs/dbraw/zinc/19/60/20/136196020.db2.gz BWECZUBNWUITOH-NRFANRHFSA-N 0 0 377.875 5.177 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3C)C2=O)c(C)c1 ZINC000103005125 136196483 /nfs/dbraw/zinc/19/64/83/136196483.db2.gz RPQHYHSWNHFCBG-PXLXIMEGSA-N 0 0 396.490 5.560 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3c(C)cccc3C)C2=O)cc1C ZINC000103004316 136196520 /nfs/dbraw/zinc/19/65/20/136196520.db2.gz WGENJNJIYOFBPR-HZHRSRAPSA-N 0 0 396.490 5.560 50 0 GKAARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc(Cl)ccc1Cl ZINC000005051045 136196604 /nfs/dbraw/zinc/19/66/04/136196604.db2.gz JIHHPYAEWSPWRZ-UHFFFAOYSA-N 0 0 383.706 5.889 50 0 GKAARN CCC1(CC)O[C@@H]2c3cc(Cl)cc(Cl)c3O[C@@H](C)N2c2ccccc21 ZINC000169678467 136197318 /nfs/dbraw/zinc/19/73/18/136197318.db2.gz VSEHTMHFOZBZBG-HXPMCKFVSA-N 0 0 378.299 6.283 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(N2CCCCC2)cc1 ZINC000011329564 136199479 /nfs/dbraw/zinc/19/94/79/136199479.db2.gz IYAKWJHUEREPNT-UHFFFAOYSA-N 0 0 393.462 5.042 50 0 GKAARN C[C@@H]1CCCCN1c1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000011666516 136199726 /nfs/dbraw/zinc/19/97/26/136199726.db2.gz BHRCVFGTEGHSIJ-CQSZACIVSA-N 0 0 382.305 5.438 50 0 GKAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000012615623 136200644 /nfs/dbraw/zinc/20/06/44/136200644.db2.gz GKGKMROQRMWGIN-UHFFFAOYSA-N 0 0 384.479 5.165 50 0 GKAARN CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 ZINC000013011077 136200843 /nfs/dbraw/zinc/20/08/43/136200843.db2.gz GXDGRYNRYKRFQY-UHFFFAOYSA-N 0 0 390.405 5.037 50 0 GKAARN O=C(NCc1nc2c(s1)CCCC2)N1c2ccccc2Sc2ccccc21 ZINC000013574384 136201065 /nfs/dbraw/zinc/20/10/65/136201065.db2.gz ABKRSVUQFFJISB-UHFFFAOYSA-N 0 0 393.537 5.534 50 0 GKAARN Cc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 ZINC000022503198 136204007 /nfs/dbraw/zinc/20/40/07/136204007.db2.gz JJRCDNUSKMMQNP-UHFFFAOYSA-N 0 0 385.467 5.232 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(N2CCOc3ccccc32)s1 ZINC000006915384 533676089 /nfs/dbraw/zinc/67/60/89/533676089.db2.gz VGDYJTQKXFMZOI-KRWDZBQOSA-N 0 0 392.524 5.030 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC=CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257348361 209079782 /nfs/dbraw/zinc/07/97/82/209079782.db2.gz DWWLKKOAXHJOTL-NGKANQSMSA-N 0 0 380.660 8.216 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257349895 209079861 /nfs/dbraw/zinc/07/98/61/209079861.db2.gz SFRHQVIYMXPVMD-AHZILZMNSA-N 0 0 386.664 7.677 50 0 GKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@@H]3CC[C@]21C ZINC000257348706 209080168 /nfs/dbraw/zinc/08/01/68/209080168.db2.gz IBDXZWQCLMSDKQ-HBGPATFYSA-N 0 0 386.664 7.079 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349305 209080226 /nfs/dbraw/zinc/08/02/26/209080226.db2.gz NFXOUCCTSGUSAN-BCDVJQLDSA-N 0 0 398.675 7.699 50 0 GKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257348344 209080270 /nfs/dbraw/zinc/08/02/70/209080270.db2.gz DRMLZOPADVROSS-OTEGAZCASA-N 0 0 398.675 7.987 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257355345 209080743 /nfs/dbraw/zinc/08/07/43/209080743.db2.gz AHWOEMBXZXGDBQ-SBQNRIHWSA-N 0 0 396.659 7.619 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000257347993 209081029 /nfs/dbraw/zinc/08/10/29/209081029.db2.gz AHWOEMBXZXGDBQ-MJYPLZPKSA-N 0 0 396.659 7.619 50 0 GKAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000257356268 209081198 /nfs/dbraw/zinc/08/11/98/209081198.db2.gz HDXFKPPIKDSQGU-NLCUXKGASA-N 0 0 388.592 5.372 50 0 GKAARN COc1ccc(CNC(=O)c2cc(C)nc3c(-c4cccs4)cccc23)cc1 ZINC000021705033 221538986 /nfs/dbraw/zinc/53/89/86/221538986.db2.gz FMCQWOYZTVBWPX-UHFFFAOYSA-N 0 0 388.492 5.210 50 0 GKAARN C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccc(Cl)cc1 ZINC000021739518 221539516 /nfs/dbraw/zinc/53/95/16/221539516.db2.gz LHUHACQXMODBQV-LLVKDONJSA-N 0 0 396.969 5.055 50 0 GKAARN Cc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccnc2)c1C ZINC000021779763 221540147 /nfs/dbraw/zinc/54/01/47/221540147.db2.gz QKVIVPPGNIETAW-DEOSSOPVSA-N 0 0 396.494 5.359 50 0 GKAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000021890144 221545801 /nfs/dbraw/zinc/54/58/01/221545801.db2.gz VFFVTJKBZFAXRI-SFHVURJKSA-N 0 0 399.416 5.995 50 0 GKAARN CCc1ccccc1NC(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C ZINC000021914373 221547114 /nfs/dbraw/zinc/54/71/14/221547114.db2.gz FDFRGQHCFMDLFU-UHFFFAOYSA-N 0 0 384.483 5.136 50 0 GKAARN O=C(COc1cccc(Cl)c1Cl)Nc1ccc(SC(F)F)cc1 ZINC000022260028 221557062 /nfs/dbraw/zinc/55/70/62/221557062.db2.gz KXKKYRIWOVPVFX-UHFFFAOYSA-N 0 0 378.227 5.326 50 0 GKAARN CCC[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)OCC)C1 ZINC000022331228 221558141 /nfs/dbraw/zinc/55/81/41/221558141.db2.gz ZUQGDIGJEDKDDC-AWEZNQCLSA-N 0 0 377.550 5.349 50 0 GKAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000022647575 221567200 /nfs/dbraw/zinc/56/72/00/221567200.db2.gz YQZFQPPQIUTZHR-UHFFFAOYSA-N 0 0 386.300 5.607 50 0 GKAARN Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H](C)C(C)(C)C)cc2)c1 ZINC000023304917 221590888 /nfs/dbraw/zinc/59/08/88/221590888.db2.gz AZEWMHNNVJDNRP-GOSISDBHSA-N 0 0 375.516 5.321 50 0 GKAARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000023314522 221591633 /nfs/dbraw/zinc/59/16/33/221591633.db2.gz XPNWVJUMDZXDFV-UHFFFAOYSA-N 0 0 394.780 5.252 50 0 GKAARN COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)C2CCCC2)cc1 ZINC000023322813 221591690 /nfs/dbraw/zinc/59/16/90/221591690.db2.gz AUWFSEHYHXJFQK-UHFFFAOYSA-N 0 0 395.890 5.330 50 0 GKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000023318717 221591715 /nfs/dbraw/zinc/59/17/15/221591715.db2.gz SLEMYLRSCZXTFQ-QFIPXVFZSA-N 0 0 378.422 5.453 50 0 GKAARN COc1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023328694 221591835 /nfs/dbraw/zinc/59/18/35/221591835.db2.gz IRKRGUPQSKNWTR-JOCHJYFZSA-N 0 0 392.886 5.528 50 0 GKAARN COc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000023314769 221591905 /nfs/dbraw/zinc/59/19/05/221591905.db2.gz YNFQHAGDSVPFGV-HNNXBMFYSA-N 0 0 392.499 5.447 50 0 GKAARN COc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)c1 ZINC000023327093 221591998 /nfs/dbraw/zinc/59/19/98/221591998.db2.gz FZBIOCLUDWTKCH-JOCHJYFZSA-N 0 0 392.886 5.528 50 0 GKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000023324444 221592321 /nfs/dbraw/zinc/59/23/21/221592321.db2.gz CTIUKYBVBSZNKJ-QHCPKHFHSA-N 0 0 390.458 5.322 50 0 GKAARN CCC(=O)Oc1ccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)cc1 ZINC000023443551 221598139 /nfs/dbraw/zinc/59/81/39/221598139.db2.gz ALTUSOIFIGCYST-UHFFFAOYSA-N 0 0 387.391 5.206 50 0 GKAARN Clc1ccc(Cl)c(SC[C@H]2CSc3nnc(-c4ccncc4)n32)c1 ZINC000024774181 221617964 /nfs/dbraw/zinc/61/79/64/221617964.db2.gz AZHCEZGURIJPQJ-LBPRGKRZSA-N 0 0 395.340 5.086 50 0 GKAARN Clc1cccc(Cl)c1SC[C@H]1CSc2nnc(-c3ccncc3)n21 ZINC000024774136 221618122 /nfs/dbraw/zinc/61/81/22/221618122.db2.gz XHSYJXBDWLTFSQ-NSHDSACASA-N 0 0 395.340 5.086 50 0 GKAARN Cc1ccc(-n2cnnc2SCc2csc(Nc3ccccc3)n2)c(C)c1 ZINC000025678165 221631428 /nfs/dbraw/zinc/63/14/28/221631428.db2.gz WBCRRGOQDQZKNX-UHFFFAOYSA-N 0 0 393.541 5.377 50 0 GKAARN Cc1ccsc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000025721104 221632620 /nfs/dbraw/zinc/63/26/20/221632620.db2.gz LLTSLXHJXINQDQ-UHFFFAOYSA-N 0 0 389.480 5.012 50 0 GKAARN Cn1cc(C(=O)N(CCc2cccs2)Cc2cccs2)c2ccccc21 ZINC000025846912 221635280 /nfs/dbraw/zinc/63/52/80/221635280.db2.gz SOFGXHFQYHUFOE-UHFFFAOYSA-N 0 0 380.538 5.186 50 0 GKAARN CCN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1nc2ccccc2s1 ZINC000026908698 221647569 /nfs/dbraw/zinc/64/75/69/221647569.db2.gz TYLRYGGIXKMOJX-UHFFFAOYSA-N 0 0 395.459 5.076 50 0 GKAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000032622320 221725282 /nfs/dbraw/zinc/72/52/82/221725282.db2.gz PXWWKVDEZBPJKR-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1nn2c(nc(C)cc2Nc2cc(C)cc(C)c2)c1-c1ccccc1Cl ZINC000027585508 221654760 /nfs/dbraw/zinc/65/47/60/221654760.db2.gz IXWBUSQRONGQFR-UHFFFAOYSA-N 0 0 376.891 6.027 50 0 GKAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000027795722 221661589 /nfs/dbraw/zinc/66/15/89/221661589.db2.gz HVRCFSFZNLRJBN-UHFFFAOYSA-N 0 0 376.239 5.199 50 0 GKAARN CC(C)C(=O)N(Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccn1 ZINC000028292944 221674285 /nfs/dbraw/zinc/67/42/85/221674285.db2.gz ZHKOVNPBQVCSLW-UHFFFAOYSA-N 0 0 394.902 5.503 50 0 GKAARN COc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)c2ccccn2)cc1 ZINC000028292607 221674819 /nfs/dbraw/zinc/67/48/19/221674819.db2.gz FDROCKCDPXQUJJ-UHFFFAOYSA-N 0 0 386.451 5.300 50 0 GKAARN COC(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 ZINC000028500449 221678710 /nfs/dbraw/zinc/67/87/10/221678710.db2.gz VQYNVOMJNANCBP-UHFFFAOYSA-N 0 0 396.830 5.563 50 0 GKAARN CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000032124008 221720904 /nfs/dbraw/zinc/72/09/04/221720904.db2.gz XXRZDOMTMCEMDR-GMAHTHKFSA-N 0 0 389.580 5.410 50 0 biogenic GKAARN Cc1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)c(C)n1Cc1ccccn1 ZINC000032397890 221722286 /nfs/dbraw/zinc/72/22/86/221722286.db2.gz TYNPCQPLFLQWHK-JOCHJYFZSA-N 0 0 393.556 5.271 50 0 GKAARN CCOc1ccccc1NC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000032888224 221743708 /nfs/dbraw/zinc/74/37/08/221743708.db2.gz SAGXQRKVBTVNHF-UHFFFAOYSA-N 0 0 399.450 5.363 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(C(C)C)n1Cc1ccco1 ZINC000032893193 221744587 /nfs/dbraw/zinc/74/45/87/221744587.db2.gz QQOTTXAAVXHFRN-UHFFFAOYSA-N 0 0 394.500 5.299 50 0 GKAARN CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000032910077 221747960 /nfs/dbraw/zinc/74/79/60/221747960.db2.gz YQTSIILHSZLCJJ-HNNXBMFYSA-N 0 0 388.558 5.166 50 0 GKAARN CCOc1ccc(NC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)cc1 ZINC000032952901 221756530 /nfs/dbraw/zinc/75/65/30/221756530.db2.gz DFEKDGKRMPPVIJ-UHFFFAOYSA-N 0 0 383.451 5.256 50 0 GKAARN Cc1c(C)n(-c2cccc(Cl)c2)c2ncnc(NCc3ccccc3C)c12 ZINC000032960542 221757449 /nfs/dbraw/zinc/75/74/49/221757449.db2.gz ULRUIZIUMXXCBQ-UHFFFAOYSA-N 0 0 376.891 5.611 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000032994824 221760659 /nfs/dbraw/zinc/76/06/59/221760659.db2.gz KADMNEJGXJRDHO-UHFFFAOYSA-N 0 0 376.481 6.042 50 0 GKAARN Cc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc1F ZINC000032985669 221761426 /nfs/dbraw/zinc/76/14/26/221761426.db2.gz CBCYUISLICGRPV-UHFFFAOYSA-N 0 0 386.426 5.367 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)c(C)c1 ZINC000033010644 221764841 /nfs/dbraw/zinc/76/48/41/221764841.db2.gz SSGMKGOXTVHADH-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN Cc1cccc(CSCc2ccc(-c3nc(-c4cccc(F)c4)no3)o2)c1 ZINC000033021798 221765651 /nfs/dbraw/zinc/76/56/51/221765651.db2.gz SVKYIHFRLGMSID-UHFFFAOYSA-N 0 0 380.444 5.878 50 0 GKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCc1ccc(Cl)cc1 ZINC000033059902 221768644 /nfs/dbraw/zinc/76/86/44/221768644.db2.gz YTAIDJNTVVOBBK-UHFFFAOYSA-N 0 0 395.915 5.287 50 0 GKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)n2)cc1 ZINC000033139178 221776056 /nfs/dbraw/zinc/77/60/56/221776056.db2.gz YAAKJEVBNRRLLO-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCCC4)cc3C)s2)o1 ZINC000033166148 221776384 /nfs/dbraw/zinc/77/63/84/221776384.db2.gz USYKVNXPWJIDGH-UHFFFAOYSA-N 0 0 381.501 5.181 50 0 GKAARN COc1ccc(-c2noc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000033298198 221784366 /nfs/dbraw/zinc/78/43/66/221784366.db2.gz XEOXPZFUJJIZHO-UHFFFAOYSA-N 0 0 383.860 5.113 50 0 GKAARN Cc1ccc2c(c1)OC=CC(C(=O)Nc1ncc(Cc3ccc(F)cc3)s1)=C2 ZINC000033321298 221788199 /nfs/dbraw/zinc/78/81/99/221788199.db2.gz ANHOEQGEJQNCLL-UHFFFAOYSA-N 0 0 392.455 5.110 50 0 GKAARN COc1ccc(-n2c(/C=C\c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 ZINC000033401020 221791029 /nfs/dbraw/zinc/79/10/29/221791029.db2.gz SGFJTFRABDKNTP-NVNXTCNLSA-N 0 0 388.854 5.218 50 0 GKAARN CSc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000033693896 221795379 /nfs/dbraw/zinc/79/53/79/221795379.db2.gz CREFEGDVECCFOR-YBEGLDIGSA-N 0 0 390.917 5.168 50 0 GKAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)cc1 ZINC000034795956 221805435 /nfs/dbraw/zinc/80/54/35/221805435.db2.gz YZUSJOZFPASNDD-UHFFFAOYSA-N 0 0 383.879 5.190 50 0 GKAARN CCCCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3C)ccc2o1 ZINC000034908561 221808902 /nfs/dbraw/zinc/80/89/02/221808902.db2.gz HMQUOYHPXQBLNS-FQEVSTJZSA-N 0 0 377.488 5.450 50 0 GKAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034912641 221809872 /nfs/dbraw/zinc/80/98/72/221809872.db2.gz PWAWPPINWQRLQJ-QGZVFWFLSA-N 0 0 393.531 5.719 50 0 GKAARN CCc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)nc3ccc(C)cn32)cc1 ZINC000034912802 221809989 /nfs/dbraw/zinc/80/99/89/221809989.db2.gz PSCAFORDLASJHG-UHFFFAOYSA-N 0 0 385.467 5.133 50 0 GKAARN Cc1cc(C)cc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1 ZINC000035446666 221824557 /nfs/dbraw/zinc/82/45/57/221824557.db2.gz CYJPIVBGMRDUMY-UHFFFAOYSA-N 0 0 386.499 5.043 50 0 biogenic GKAARN C[C@H](Oc1ccccc1)c1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1 ZINC000035557780 221828311 /nfs/dbraw/zinc/82/83/11/221828311.db2.gz FTJDWBHXGTULBY-AWEZNQCLSA-N 0 0 389.480 5.878 50 0 GKAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2Br)cc1 ZINC000035622708 221831190 /nfs/dbraw/zinc/83/11/90/221831190.db2.gz HBDNMMKNGCZSEP-UHFFFAOYSA-N 0 0 393.288 5.519 50 0 GKAARN CC(C)Cc1nc2sc3c(c2c(N2CCc4ccccc4C2)n1)CC[C@H](C)C3 ZINC000035892822 221834720 /nfs/dbraw/zinc/83/47/20/221834720.db2.gz RTGNXBUEYBJIAJ-INIZCTEOSA-N 0 0 391.584 5.577 50 0 GKAARN CCc1cccc2c([C@@H](CC(=O)NCCC(C)C)c3ccc(F)cc3F)c[nH]c21 ZINC000035910567 221834919 /nfs/dbraw/zinc/83/49/19/221834919.db2.gz XCLZKEUPXFECRL-FQEVSTJZSA-N 0 0 398.497 5.693 50 0 GKAARN C[C@H](CC(=O)Nc1nnc(SCc2ccccc2F)s1)CC(C)(C)C ZINC000035912950 221835246 /nfs/dbraw/zinc/83/52/46/221835246.db2.gz OHKFGLMXGZWIDH-GFCCVEGCSA-N 0 0 381.542 5.370 50 0 GKAARN CC(C)c1ccccc1OCc1nc(CN(C(=O)c2ccco2)C(C)C)cs1 ZINC000036104958 221842117 /nfs/dbraw/zinc/84/21/17/221842117.db2.gz USCOMXNGCGRGFL-UHFFFAOYSA-N 0 0 398.528 5.489 50 0 GKAARN CC(C)CN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1 ZINC000036114408 221842602 /nfs/dbraw/zinc/84/26/02/221842602.db2.gz XMFMLMKVECIZIJ-UHFFFAOYSA-N 0 0 380.513 5.021 50 0 GKAARN CC(C)CN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)C(C)C ZINC000036115022 221844436 /nfs/dbraw/zinc/84/44/36/221844436.db2.gz PHEDWIGJXCMPLZ-UHFFFAOYSA-N 0 0 396.556 5.516 50 0 GKAARN Cc1c(Cl)cccc1S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc1 ZINC000036248431 221848091 /nfs/dbraw/zinc/84/80/91/221848091.db2.gz KNFWMNVOCMPPJT-UHFFFAOYSA-N 0 0 389.879 5.183 50 0 GKAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](OCc2ccccc2Cl)C1 ZINC000036315014 221850684 /nfs/dbraw/zinc/85/06/84/221850684.db2.gz LWIGCTOPNGKODW-OAHLLOKOSA-N 0 0 398.717 5.468 50 0 GKAARN CCC[C@@H](C(=O)N(C)CCC)n1c2ccccc2nc1Cc1ccccc1Cl ZINC000037397209 221870382 /nfs/dbraw/zinc/87/03/82/221870382.db2.gz DYGXABKWEFJADF-NRFANRHFSA-N 0 0 397.950 5.490 50 0 GKAARN COc1ccccc1-c1nc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)no1 ZINC000037278924 221870396 /nfs/dbraw/zinc/87/03/96/221870396.db2.gz IEFFLDLDLAWNLO-UHFFFAOYSA-N 0 0 394.377 5.269 50 0 GKAARN Cc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(F)c(Cl)c2)cc1C ZINC000037522288 221871648 /nfs/dbraw/zinc/87/16/48/221871648.db2.gz NITISFYEMUTDLH-QHCPKHFHSA-N 0 0 382.910 5.893 50 0 GKAARN CCc1cc(Oc2ccc(F)cc2)nc(SCc2cc(F)ccc2F)n1 ZINC000037510364 221871932 /nfs/dbraw/zinc/87/19/32/221871932.db2.gz ONWHTLDFOFQHIV-UHFFFAOYSA-N 0 0 376.403 5.541 50 0 GKAARN Cc1ccccc1COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000037553294 221872731 /nfs/dbraw/zinc/87/27/31/221872731.db2.gz NNQXBOXMQMYUFE-UHFFFAOYSA-N 0 0 376.843 5.944 50 0 GKAARN O=C(NCc1ccccc1)c1cc2sccc2n1Cc1cccc(Cl)c1 ZINC000037526043 221873323 /nfs/dbraw/zinc/87/33/23/221873323.db2.gz YUOMEYGJWLMTGW-UHFFFAOYSA-N 0 0 380.900 5.335 50 0 GKAARN CC(C)c1ccc(-c2noc(CN(C)[C@@H](C)c3nc4ccccc4s3)n2)cc1 ZINC000039519579 221889376 /nfs/dbraw/zinc/88/93/76/221889376.db2.gz BWTHBEFEZOIWDD-HNNXBMFYSA-N 0 0 392.528 5.663 50 0 GKAARN CC(C)c1ccc(-c2noc(CN(C)[C@H](C)c3nc4ccccc4s3)n2)cc1 ZINC000039519580 221889835 /nfs/dbraw/zinc/88/98/35/221889835.db2.gz BWTHBEFEZOIWDD-OAHLLOKOSA-N 0 0 392.528 5.663 50 0 GKAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)c(C)c1 ZINC000041078090 221937851 /nfs/dbraw/zinc/93/78/51/221937851.db2.gz AHJRKRLUOIHTTM-UHFFFAOYSA-N 0 0 391.515 5.206 50 0 GKAARN Cc1nc(COc2cc(C)ccc2C)sc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000043220818 221947703 /nfs/dbraw/zinc/94/77/03/221947703.db2.gz OWVILJMVJCCKCT-UHFFFAOYSA-N 0 0 394.540 6.023 50 0 GKAARN CN(Cc1c(Cl)cccc1Cl)N1c2ccccc2[C@@H](c2ccccc2)C1=O ZINC000044125202 221950978 /nfs/dbraw/zinc/95/09/78/221950978.db2.gz YDAQWDWIUDGSBR-OAQYLSRUSA-N 0 0 397.305 5.519 50 0 GKAARN Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 ZINC000044086541 221951024 /nfs/dbraw/zinc/95/10/24/221951024.db2.gz WOEQMNPBWMAIMV-UHFFFAOYSA-N 0 0 388.511 6.588 50 0 GKAARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1C ZINC000045943351 221965975 /nfs/dbraw/zinc/96/59/75/221965975.db2.gz KIYZVZHNLFBQJZ-UHFFFAOYSA-N 0 0 386.904 5.651 50 0 GKAARN CC(C)COc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076968 221970352 /nfs/dbraw/zinc/97/03/52/221970352.db2.gz NLZWDZLMZPMOEU-IBGZPJMESA-N 0 0 395.499 6.063 50 0 GKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000046076480 221970508 /nfs/dbraw/zinc/97/05/08/221970508.db2.gz MGOQXYTUUFHZTP-IBGZPJMESA-N 0 0 377.509 6.021 50 0 GKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000046076306 221971050 /nfs/dbraw/zinc/97/10/50/221971050.db2.gz LBUTVBBSFQLDKF-LJQANCHMSA-N 0 0 393.508 5.685 50 0 GKAARN CC(C)N(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000048276449 221983619 /nfs/dbraw/zinc/98/36/19/221983619.db2.gz OLOLLDGNSVHHMO-UHFFFAOYSA-N 0 0 381.479 5.348 50 0 GKAARN Cc1cc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)no1 ZINC000048310328 221987045 /nfs/dbraw/zinc/98/70/45/221987045.db2.gz VCZBWXHTLKKHNU-MRXNPFEDSA-N 0 0 394.862 5.071 50 0 GKAARN COc1ccc(-c2nc(NC(=O)c3c(C)oc(C)c3Cl)sc2C)cc1 ZINC000048314763 221987170 /nfs/dbraw/zinc/98/71/70/221987170.db2.gz YSQUNIFWZOSROM-UHFFFAOYSA-N 0 0 376.865 5.243 50 0 GKAARN CC(C)c1noc(CCCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000048833446 221992950 /nfs/dbraw/zinc/99/29/50/221992950.db2.gz XGEYYBDCEQCEGL-GFCCVEGCSA-N 0 0 384.307 5.042 50 0 GKAARN Cc1nn2c(nc(C(C)(C)C)cc2Nc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000050703257 222004758 /nfs/dbraw/zinc/00/47/58/222004758.db2.gz GGBBWXBPIDHVEU-UHFFFAOYSA-N 0 0 390.918 6.399 50 0 GKAARN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000053459786 222011179 /nfs/dbraw/zinc/01/11/79/222011179.db2.gz OKDGZSKGFTYIKU-INIZCTEOSA-N 0 0 390.430 5.221 50 0 GKAARN C[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000057744204 222036079 /nfs/dbraw/zinc/03/60/79/222036079.db2.gz AEMBSODXIDJDSK-LAHYYIKRSA-N 0 0 393.796 5.126 50 0 GKAARN CCCCc1nc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c[nH]1 ZINC000055182587 222015977 /nfs/dbraw/zinc/01/59/77/222015977.db2.gz LRPVEPDPDSOSRE-QGZVFWFLSA-N 0 0 387.531 5.250 50 0 GKAARN C[C@H](NC(=O)Nc1ccc(F)cc1Br)c1cc2ccccc2o1 ZINC000057758235 222036238 /nfs/dbraw/zinc/03/62/38/222036238.db2.gz AZIZSBUWEJTTNU-JTQLQIEISA-N 0 0 377.213 5.217 50 0 GKAARN Cc1c(OC(=O)C2CCCCC2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000055393862 222022965 /nfs/dbraw/zinc/02/29/65/222022965.db2.gz AXYHTZILPCIDPN-UHFFFAOYSA-N 0 0 390.479 5.486 50 0 GKAARN O=C(Nc1cccc2ccccc21)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989325 222094007 /nfs/dbraw/zinc/09/40/07/222094007.db2.gz UTUOCKNLEYOLAJ-UHFFFAOYSA-N 0 0 394.478 5.149 50 0 GKAARN Cc1ccc(Cn2nnc3cc(C(=O)Nc4cccc(Cl)c4C)ccc32)cc1 ZINC000065030487 222095990 /nfs/dbraw/zinc/09/59/90/222095990.db2.gz GXSHMKZMUZJRHZ-UHFFFAOYSA-N 0 0 390.874 5.002 50 0 GKAARN COc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)cc(OC)c3c2)cc1 ZINC000065033782 222096156 /nfs/dbraw/zinc/09/61/56/222096156.db2.gz LZMJLFFSRZJJGR-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NCc4ccccc4)cc3)n2)cc1 ZINC000065063257 222098621 /nfs/dbraw/zinc/09/86/21/222098621.db2.gz KDEWZKJJPIYBIQ-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2ccc(F)c(C)c2)n1 ZINC000065114620 222101970 /nfs/dbraw/zinc/10/19/70/222101970.db2.gz OJWMJIHQMHPTJH-AWEZNQCLSA-N 0 0 392.478 5.001 50 0 GKAARN CCCCc1ccc(Nc2c(C(=O)N(CC)CC)cnc3nc(C)ccc32)cc1 ZINC000065114696 222102701 /nfs/dbraw/zinc/10/27/01/222102701.db2.gz CDUJDQOIECZWPS-UHFFFAOYSA-N 0 0 390.531 5.506 50 0 GKAARN Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1ccc(F)cc1Cl ZINC000065149333 222103470 /nfs/dbraw/zinc/10/34/70/222103470.db2.gz IYKKAOHBDGFOSO-UHFFFAOYSA-N 0 0 379.844 5.275 50 0 GKAARN CCCn1c(-c2cccc(C(=O)Nc3ccc(F)c(C)c3)c2)nc2cccnc21 ZINC000065172825 222105463 /nfs/dbraw/zinc/10/54/63/222105463.db2.gz QBIDMCHVAMCEIS-UHFFFAOYSA-N 0 0 388.446 5.208 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2cccc(CC)c2)c1 ZINC000065172777 222106454 /nfs/dbraw/zinc/10/64/54/222106454.db2.gz SDSLMNNOVRPVHD-UHFFFAOYSA-N 0 0 384.483 5.323 50 0 GKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(Cl)cc3C)s2)c1 ZINC000065184846 222106898 /nfs/dbraw/zinc/10/68/98/222106898.db2.gz FDWNJTWIZGIHBI-UHFFFAOYSA-N 0 0 387.892 5.418 50 0 GKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3cccc(C(C)C)c3)s2)c1 ZINC000065184811 222107605 /nfs/dbraw/zinc/10/76/05/222107605.db2.gz WKMVZYVSNUTCBI-UHFFFAOYSA-N 0 0 381.501 5.579 50 0 GKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(Cl)c(C)c3)s2)c1 ZINC000065184854 222108359 /nfs/dbraw/zinc/10/83/59/222108359.db2.gz IUUUYRUCQMCXQS-UHFFFAOYSA-N 0 0 387.892 5.418 50 0 GKAARN CCSc1ccc(-c2cccc(NC(=O)Nc3ccccc3Cl)c2)nn1 ZINC000065185950 222108976 /nfs/dbraw/zinc/10/89/76/222108976.db2.gz DTADJYKOIFEOSQ-UHFFFAOYSA-N 0 0 384.892 5.553 50 0 GKAARN Cc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc1C ZINC000065218858 222111664 /nfs/dbraw/zinc/11/16/64/222111664.db2.gz RDXIEEIRVMTMAT-UHFFFAOYSA-N 0 0 375.453 5.334 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCCOc1ccc(Cl)cc1 ZINC000058016046 222037629 /nfs/dbraw/zinc/03/76/29/222037629.db2.gz ABITWPONQAYYDW-CYBMUJFWSA-N 0 0 384.328 5.441 50 0 GKAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccc(Cl)cc1 ZINC000058043577 222038160 /nfs/dbraw/zinc/03/81/60/222038160.db2.gz NZISXNWGGQSBRC-CYBMUJFWSA-N 0 0 392.286 5.115 50 0 GKAARN C[C@@H](SC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(F)ccc1F ZINC000058067568 222039942 /nfs/dbraw/zinc/03/99/42/222039942.db2.gz QVYKWPLXKGEQNK-OAHLLOKOSA-N 0 0 383.463 5.815 50 0 GKAARN CC(C)N(Cc1ccccn1)C(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000058258283 222047847 /nfs/dbraw/zinc/04/78/47/222047847.db2.gz ORUUOUAWOMAATM-UHFFFAOYSA-N 0 0 398.506 5.053 50 0 GKAARN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(F)c1F ZINC000058323219 222048560 /nfs/dbraw/zinc/04/85/60/222048560.db2.gz GAVGUHXGCWXKAM-UHFFFAOYSA-N 0 0 391.220 5.853 50 0 GKAARN O=C(NCc1cccc(NC(=O)Nc2ccccc2)c1)Nc1cccc(Cl)c1 ZINC000058344193 222050378 /nfs/dbraw/zinc/05/03/78/222050378.db2.gz RHCXFXLNLNPZDI-UHFFFAOYSA-N 0 0 394.862 5.306 50 0 GKAARN CC(C)Oc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1Cl ZINC000058394079 222050764 /nfs/dbraw/zinc/05/07/64/222050764.db2.gz RCBYDXXELZVBPU-UHFFFAOYSA-N 0 0 381.234 5.653 50 0 GKAARN Fc1ccc(C(Sc2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000058343191 222050979 /nfs/dbraw/zinc/05/09/79/222050979.db2.gz CGIZOXXPNVUGRL-UHFFFAOYSA-N 0 0 380.419 5.897 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)nc3ccccc32)cc1 ZINC000058420649 222052731 /nfs/dbraw/zinc/05/27/31/222052731.db2.gz QYJZGVVXLWPXJM-UHFFFAOYSA-N 0 0 388.492 5.249 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(OC)nc3)ccc21 ZINC000058716748 222055947 /nfs/dbraw/zinc/05/59/47/222055947.db2.gz IGIWTCDYVAVVOA-UHFFFAOYSA-N 0 0 376.485 5.027 50 0 GKAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 ZINC000060339030 222059680 /nfs/dbraw/zinc/05/96/80/222059680.db2.gz DUYBHLAIINXXGN-UHFFFAOYSA-N 0 0 380.250 5.598 50 0 GKAARN CCC(=O)[C@H](C)OC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc21 ZINC000060968165 222061556 /nfs/dbraw/zinc/06/15/56/222061556.db2.gz HOWLABRYSKHRGW-ZDUSSCGKSA-N 0 0 390.464 5.036 50 0 GKAARN Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000061735475 222063283 /nfs/dbraw/zinc/06/32/83/222063283.db2.gz JCJARAOBHNVBCR-UHFFFAOYSA-N 0 0 395.406 5.049 50 0 GKAARN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccsc2)c1 ZINC000061997221 222064722 /nfs/dbraw/zinc/06/47/22/222064722.db2.gz NPSDWMWLFCUMSC-UHFFFAOYSA-N 0 0 376.437 5.307 50 0 GKAARN Cc1cc(C)n(-c2ccc(CNc3nc4ccccc4o3)c(C(F)(F)F)c2)n1 ZINC000063267291 222066181 /nfs/dbraw/zinc/06/61/81/222066181.db2.gz AYHONYXRLOUTNP-UHFFFAOYSA-N 0 0 386.377 5.261 50 0 GKAARN CCc1ccccc1Nc1c2c(nc3nc(Cc4ccc(C)cc4)nn31)CCCC2 ZINC000064449959 222071399 /nfs/dbraw/zinc/07/13/99/222071399.db2.gz FBGTXYVAEIRPMW-UHFFFAOYSA-N 0 0 397.526 5.208 50 0 GKAARN Cc1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 ZINC000064472715 222071847 /nfs/dbraw/zinc/07/18/47/222071847.db2.gz OIJUJAVKVJSGLC-UHFFFAOYSA-N 0 0 392.911 6.420 50 0 GKAARN CCc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000064472536 222072297 /nfs/dbraw/zinc/07/22/97/222072297.db2.gz OWLGABGZQLRZCJ-UHFFFAOYSA-N 0 0 386.520 6.329 50 0 GKAARN COc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc32)cc1 ZINC000064568474 222074885 /nfs/dbraw/zinc/07/48/85/222074885.db2.gz UIGPALOIOVRUMP-KRWDZBQOSA-N 0 0 389.499 5.168 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C)c(Cl)c3)cc12 ZINC000064567922 222074947 /nfs/dbraw/zinc/07/49/47/222074947.db2.gz MSCUHTRFYVCSHX-UHFFFAOYSA-N 0 0 399.878 5.749 50 0 GKAARN CC1CCN(C(=O)c2cc(Nc3ccc(F)c(F)c3)c3ccccc3n2)CC1 ZINC000064568412 222075492 /nfs/dbraw/zinc/07/54/92/222075492.db2.gz PKTWGIWFJKVCAN-UHFFFAOYSA-N 0 0 381.426 5.129 50 0 GKAARN CCc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)c1 ZINC000064568492 222075569 /nfs/dbraw/zinc/07/55/69/222075569.db2.gz KXBORQBNPUGZIN-UHFFFAOYSA-N 0 0 389.499 5.176 50 0 GKAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)CCC3CCCC3)CC1)N2 ZINC000064659558 222076672 /nfs/dbraw/zinc/07/66/72/222076672.db2.gz GZDWPXOZBAZKBB-UHFFFAOYSA-N 0 0 391.559 5.308 50 0 biogenic GKAARN Cc1cccc(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)c1C ZINC000064666408 222077594 /nfs/dbraw/zinc/07/75/94/222077594.db2.gz QDUJDYSXCIAOCP-UHFFFAOYSA-N 0 0 395.915 5.824 50 0 GKAARN CCc1ccc(-c2nc3sc4cc(Cl)ccc4n3c2NCCOC)cc1 ZINC000064668461 222077745 /nfs/dbraw/zinc/07/77/45/222077745.db2.gz QMXQJTIRERTFBT-UHFFFAOYSA-N 0 0 385.920 5.490 50 0 GKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3cccc(F)c3)c2)cs1 ZINC000064669954 222077804 /nfs/dbraw/zinc/07/78/04/222077804.db2.gz XUOBHBFZHJUFMC-UHFFFAOYSA-N 0 0 390.505 5.182 50 0 GKAARN Fc1cccc(Cc2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)c1 ZINC000064669229 222077861 /nfs/dbraw/zinc/07/78/61/222077861.db2.gz SYABPBSSQQYGHP-UHFFFAOYSA-N 0 0 377.444 5.467 50 0 GKAARN COc1cccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)c1 ZINC000064669214 222078048 /nfs/dbraw/zinc/07/80/48/222078048.db2.gz SGKJQANSHYXIHD-UHFFFAOYSA-N 0 0 375.453 5.413 50 0 GKAARN COc1ccc(Cc2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc1Cl ZINC000064669081 222078131 /nfs/dbraw/zinc/07/81/31/222078131.db2.gz WNEYFUCVFSSZNU-UHFFFAOYSA-N 0 0 397.887 5.421 50 0 GKAARN Cc1ccccc1-c1noc(-c2cn(-c3ccccc3)c(=O)c3ccccc23)n1 ZINC000064664169 222078265 /nfs/dbraw/zinc/07/82/65/222078265.db2.gz FLGIAWSVMPFHDH-UHFFFAOYSA-N 0 0 379.419 5.016 50 0 GKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000064675647 222078905 /nfs/dbraw/zinc/07/89/05/222078905.db2.gz OPTHQZDNNVRTJZ-UHFFFAOYSA-N 0 0 391.421 5.159 50 0 GKAARN Cc1cc(C)cc(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)c1 ZINC000064676200 222079160 /nfs/dbraw/zinc/07/91/60/222079160.db2.gz VIUBVBLLINYARQ-UHFFFAOYSA-N 0 0 395.915 5.514 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)cc1F ZINC000064676208 222079184 /nfs/dbraw/zinc/07/91/84/222079184.db2.gz DRMIDSGREXFMLV-UHFFFAOYSA-N 0 0 399.878 5.345 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)CCc1c(-c2ccccc2)nc2ccccn21 ZINC000064675840 222079375 /nfs/dbraw/zinc/07/93/75/222079375.db2.gz WLEAUXLRKGMOTK-UHFFFAOYSA-N 0 0 389.886 5.534 50 0 GKAARN COc1cccc(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)c1 ZINC000064677054 222079387 /nfs/dbraw/zinc/07/93/87/222079387.db2.gz SUNBAQDXHVFPNC-UHFFFAOYSA-N 0 0 375.453 5.413 50 0 GKAARN Cc1ccccc1NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000064675680 222079450 /nfs/dbraw/zinc/07/94/50/222079450.db2.gz NRALYTSHGORDMM-UHFFFAOYSA-N 0 0 389.886 5.534 50 0 GKAARN Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(C)c4)csc3n2)cc1 ZINC000064676146 222079468 /nfs/dbraw/zinc/07/94/68/222079468.db2.gz WTOMXSKGMBBGSU-UHFFFAOYSA-N 0 0 375.497 5.169 50 0 GKAARN Cc1ccc(-c2nc3ccccn3c2CCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000064675613 222079588 /nfs/dbraw/zinc/07/95/88/222079588.db2.gz RCFRJZMYTACTRV-UHFFFAOYSA-N 0 0 389.886 5.534 50 0 GKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)c(C)c3)cs2)s1 ZINC000064676486 222079655 /nfs/dbraw/zinc/07/96/55/222079655.db2.gz IPJRQNFDDYMDMM-UHFFFAOYSA-N 0 0 393.331 5.503 50 0 GKAARN CCC(=O)Nc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)nc1 ZINC000064754545 222080640 /nfs/dbraw/zinc/08/06/40/222080640.db2.gz QSTWIUUZDGQAGN-UHFFFAOYSA-N 0 0 397.837 5.142 50 0 GKAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064757669 222080883 /nfs/dbraw/zinc/08/08/83/222080883.db2.gz YESPOLSHGUTNIS-UHFFFAOYSA-N 0 0 377.391 5.466 50 0 GKAARN CCCc1cc(Nc2cccc3ccccc32)n2nc(-c3cccnc3)nc2n1 ZINC000064790954 222081574 /nfs/dbraw/zinc/08/15/74/222081574.db2.gz JMRXKTSQOBGABR-UHFFFAOYSA-N 0 0 380.455 5.036 50 0 GKAARN Cc1ccc(NC(=O)N2CCC([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000064847731 222084647 /nfs/dbraw/zinc/08/46/47/222084647.db2.gz BKRSXXYONWZGMK-INIZCTEOSA-N 0 0 399.922 5.167 50 0 GKAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccccc3)CC2)cc1Cl ZINC000064847597 222085135 /nfs/dbraw/zinc/08/51/35/222085135.db2.gz BDLPGDXSTWPATN-MRXNPFEDSA-N 0 0 399.922 5.167 50 0 GKAARN Cc1ccc(NC(=O)N2CCC([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000064847714 222085269 /nfs/dbraw/zinc/08/52/69/222085269.db2.gz BDLDTWYGAFVYBR-LJQANCHMSA-N 0 0 393.531 5.131 50 0 GKAARN O=C(NCc1ccc(Cl)cc1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967829 222091195 /nfs/dbraw/zinc/09/11/95/222091195.db2.gz HQCNQJDLGGCHBO-UHFFFAOYSA-N 0 0 376.843 5.002 50 0 GKAARN Cc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccc2)C1 ZINC000064967111 222091353 /nfs/dbraw/zinc/09/13/53/222091353.db2.gz QMGCIANYYGOGFM-UHFFFAOYSA-N 0 0 399.519 5.921 50 0 GKAARN COc1cc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)cc(OC)c1O ZINC000065319292 222123718 /nfs/dbraw/zinc/12/37/18/222123718.db2.gz ILGFOFNAANQUFC-UHFFFAOYSA-N 0 0 397.500 5.149 50 0 GKAARN CCc1nc(Cn2cnc(-c3ccccc3)c2-c2ccc(Cl)cc2F)no1 ZINC000065384369 222126479 /nfs/dbraw/zinc/12/64/79/222126479.db2.gz UPIQCSIGRSKHDL-UHFFFAOYSA-N 0 0 382.826 5.003 50 0 GKAARN Cc1ncc(-c2c(-c3ccccc3)ncn2CCSc2ccccn2)s1 ZINC000065420469 222127900 /nfs/dbraw/zinc/12/79/00/222127900.db2.gz KTWTWEDQASTEAF-UHFFFAOYSA-N 0 0 378.526 5.169 50 0 GKAARN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1nccc2ccccc21)C1CC1 ZINC000065477126 222131230 /nfs/dbraw/zinc/13/12/30/222131230.db2.gz CURQFGTVPOVJBV-CQSZACIVSA-N 0 0 384.401 5.619 50 0 GKAARN O=C(Nc1ccc(Sc2nncs2)cc1)c1cc2c(s1)CCCCC2 ZINC000065576790 222134916 /nfs/dbraw/zinc/13/49/16/222134916.db2.gz ZZYBJTIQMQLSNW-UHFFFAOYSA-N 0 0 387.555 5.272 50 0 GKAARN C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)c1nc(C(C)(C)C)no1 ZINC000065575402 222135736 /nfs/dbraw/zinc/13/57/36/222135736.db2.gz OYUUENDGBRVJAU-CYBMUJFWSA-N 0 0 378.501 5.817 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1nc(-c2ccncc2)cs1 ZINC000065586187 222135924 /nfs/dbraw/zinc/13/59/24/222135924.db2.gz PJUJHJWPVUUNQH-UHFFFAOYSA-N 0 0 399.519 5.044 50 0 GKAARN Cc1sc2[nH]c([C@@H](C)N[C@H](C)c3ccccc3C(F)(F)F)nc(=O)c2c1C ZINC000066391205 222139652 /nfs/dbraw/zinc/13/96/52/222139652.db2.gz IFLAFYWFAOJEJX-GHMZBOCLSA-N 0 0 395.450 5.032 50 0 GKAARN FC(F)(F)c1cccc(-c2nnn3c2nc(Cl)c2cc(Cl)ccc23)c1 ZINC000067172359 222140391 /nfs/dbraw/zinc/14/03/91/222140391.db2.gz LHEQTDBQEYVWGL-UHFFFAOYSA-N 0 0 383.160 5.270 50 0 GKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c(C)c1 ZINC000067190184 222141351 /nfs/dbraw/zinc/14/13/51/222141351.db2.gz NRBCQVUMYSRLGR-SGEDCAFJSA-N 0 0 396.490 6.151 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1CCc1ccccc1 ZINC000067259306 222141840 /nfs/dbraw/zinc/14/18/40/222141840.db2.gz RKUDILIRLUXODF-UHFFFAOYSA-N 0 0 390.483 5.071 50 0 GKAARN CCCCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1Cl ZINC000067259034 222142587 /nfs/dbraw/zinc/14/25/87/222142587.db2.gz BICZRQISUCBGBU-UHFFFAOYSA-N 0 0 390.911 5.672 50 0 GKAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F ZINC000067296106 222143152 /nfs/dbraw/zinc/14/31/52/222143152.db2.gz HAFGVOMRLANBLN-NKFKGCMQSA-N 0 0 399.834 5.167 50 0 GKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1Cl ZINC000067295564 222143588 /nfs/dbraw/zinc/14/35/88/222143588.db2.gz NRLMVHNLPJOKOX-LVWGJNHUSA-N 0 0 392.842 5.150 50 0 GKAARN CC(C)c1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288202 222143985 /nfs/dbraw/zinc/14/39/85/222143985.db2.gz DPYMOCXOEQBXFS-UHFFFAOYSA-N 0 0 391.490 5.345 50 0 GKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(C)ccc2C)nc1 ZINC000067296452 222144368 /nfs/dbraw/zinc/14/43/68/222144368.db2.gz CUBRGFWJZMOZNH-LCUIJRPUSA-N 0 0 383.451 5.238 50 0 GKAARN Cc1c(Cl)cccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 ZINC000067297467 222144671 /nfs/dbraw/zinc/14/46/71/222144671.db2.gz UQEMLGYZIZSZDA-RWEWTDSWSA-N 0 0 388.854 5.879 50 0 GKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1F ZINC000067297402 222144697 /nfs/dbraw/zinc/14/46/97/222144697.db2.gz AGPRNQOQNKLBKP-ROMGYVFFSA-N 0 0 376.362 5.196 50 0 GKAARN O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cc(Cl)ccc1F ZINC000067297522 222145028 /nfs/dbraw/zinc/14/50/28/222145028.db2.gz WKYWYXSIDFPXCH-ROMGYVFFSA-N 0 0 392.817 5.710 50 0 GKAARN COc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)c(OC)c1 ZINC000067321959 222145709 /nfs/dbraw/zinc/14/57/09/222145709.db2.gz BNLUEWXYQCFNEX-UHFFFAOYSA-N 0 0 391.290 5.333 50 0 GKAARN Cc1cn2cc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)ccc2n1 ZINC000069373668 222172495 /nfs/dbraw/zinc/17/24/95/222172495.db2.gz CJQDWRLOPGVNRO-UHFFFAOYSA-N 0 0 385.345 5.174 50 0 GKAARN O=C1CSc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2N1 ZINC000068752395 222173609 /nfs/dbraw/zinc/17/36/09/222173609.db2.gz RFYMGPDDAISVPC-UHFFFAOYSA-N 0 0 394.499 6.127 50 0 GKAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000071280161 222178935 /nfs/dbraw/zinc/17/89/35/222178935.db2.gz KTRGNRDNNMUXKK-AWEZNQCLSA-N 0 0 389.377 5.866 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OC)cc2)s1 ZINC000071326589 222180827 /nfs/dbraw/zinc/18/08/27/222180827.db2.gz JKUUMLUDDHYPJR-AWEZNQCLSA-N 0 0 395.528 5.257 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)N[C@H]1CCc2ccccc21 ZINC000071326651 222182159 /nfs/dbraw/zinc/18/21/59/222182159.db2.gz JJZNAEIOPBJXDT-IBGZPJMESA-N 0 0 377.513 5.229 50 0 GKAARN O=c1c2sccc2nc(SCc2ccc(F)cc2)n1CCc1ccccc1 ZINC000071327595 222182241 /nfs/dbraw/zinc/18/22/41/222182241.db2.gz VDDYLHPXWBPLOX-UHFFFAOYSA-N 0 0 396.512 5.132 50 0 GKAARN Cc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(C)cc2O3)c(O)c1 ZINC000071769609 222196045 /nfs/dbraw/zinc/19/60/45/222196045.db2.gz ANLZZJOGEVHUGL-AHWVRZQESA-N 0 0 376.540 6.689 50 0 GKAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000072028923 222204530 /nfs/dbraw/zinc/20/45/30/222204530.db2.gz FRVZPSQMWNMIBV-UHFFFAOYSA-N 0 0 391.452 5.460 50 0 GKAARN Cc1nn(C)c2sc(C(=O)N(c3ccc4[nH]ccc4c3)[C@H](C)CC(C)C)cc12 ZINC000072066688 222204552 /nfs/dbraw/zinc/20/45/52/222204552.db2.gz JLNUTFMKOKWAQB-CQSZACIVSA-N 0 0 394.544 5.506 50 0 GKAARN C[C@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000072271234 222218831 /nfs/dbraw/zinc/21/88/31/222218831.db2.gz CYKYYALTWLEWCC-QMHKHESXSA-N 0 0 376.525 5.282 50 0 GKAARN c1sc(-c2ccc(-c3ccccc3)cc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000072284533 222220560 /nfs/dbraw/zinc/22/05/60/222220560.db2.gz IMNAPUBGAISUSC-UHFFFAOYSA-N 0 0 389.523 7.811 50 0 GKAARN COc1cc(Nc2nc(-c3cccs3)nc3ccccc32)ccc1NC(C)=O ZINC000084796826 222322977 /nfs/dbraw/zinc/32/29/77/222322977.db2.gz AJUKDMMXIPMWNO-UHFFFAOYSA-N 0 0 390.468 5.069 50 0 GKAARN COC(=O)c1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1 ZINC000085808341 222325303 /nfs/dbraw/zinc/32/53/03/222325303.db2.gz AATMYSUPQQRLEX-UHFFFAOYSA-N 0 0 399.450 5.574 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1 ZINC000085649908 222325984 /nfs/dbraw/zinc/32/59/84/222325984.db2.gz FVQCWDASTMFKJW-UHFFFAOYSA-N 0 0 394.478 5.126 50 0 GKAARN CN(C)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)c(C(F)(F)F)c1 ZINC000089323041 222327272 /nfs/dbraw/zinc/32/72/72/222327272.db2.gz MKQPAOVFTSFKRB-UHFFFAOYSA-N 0 0 382.451 5.354 50 0 GKAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn32)cc1 ZINC000086076648 222328220 /nfs/dbraw/zinc/32/82/20/222328220.db2.gz XLSCMSXJYXKZCH-UHFFFAOYSA-N 0 0 385.471 5.024 50 0 GKAARN O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344309 222306902 /nfs/dbraw/zinc/30/69/02/222306902.db2.gz MZBCRDLHAIOKDW-QWHCGFSZSA-N 0 0 381.259 5.484 50 0 GKAARN O=C(Nc1cccc(Br)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344865 222307369 /nfs/dbraw/zinc/30/73/69/222307369.db2.gz FFOHIMUXCXRQHY-CABCVRRESA-N 0 0 385.088 5.498 50 0 GKAARN Clc1ccc(/C=C/c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000080346282 222307516 /nfs/dbraw/zinc/30/75/16/222307516.db2.gz OKPWZSRVZQUZMN-ZZXKWVIFSA-N 0 0 396.947 5.477 50 0 GKAARN Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H]3c3c(C)noc3C)c2)cs1 ZINC000095517683 222344584 /nfs/dbraw/zinc/34/45/84/222344584.db2.gz XDGPBZVPRMRTRJ-GOSISDBHSA-N 0 0 382.489 5.092 50 0 GKAARN Cc1cccc(-c2nnc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)c1 ZINC000084213216 222313649 /nfs/dbraw/zinc/31/36/49/222313649.db2.gz ACMPUEDHYYWMSU-UHFFFAOYSA-N 0 0 388.389 5.160 50 0 GKAARN O=C(Nc1ccc(Cl)nc1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000084367225 222316692 /nfs/dbraw/zinc/31/66/92/222316692.db2.gz UXKUPYYJIWCGQQ-UHFFFAOYSA-N 0 0 383.782 5.130 50 0 GKAARN Cc1cc([C@@H]2CCCN2C(=O)c2ccc3nc(C4CCCCC4)oc3c2)on1 ZINC000095524903 222348355 /nfs/dbraw/zinc/34/83/55/222348355.db2.gz IXNHKNYKRWNNDV-SFHVURJKSA-N 0 0 379.460 5.149 50 0 GKAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2oc3ccc(C)cc3c2C)C1 ZINC000095531073 222352851 /nfs/dbraw/zinc/35/28/51/222352851.db2.gz UAXNPTSNOBNSKU-SFHVURJKSA-N 0 0 379.504 5.066 50 0 GKAARN CC(C)c1ccc(NC(=S)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 ZINC000095953167 222363449 /nfs/dbraw/zinc/36/34/49/222363449.db2.gz DQVIJSUALWFVEC-UHFFFAOYSA-N 0 0 375.488 5.497 50 0 GKAARN Cc1nc(-c2ccc(CC(=O)Nc3cccc(-c4nccs4)c3)cc2)cs1 ZINC000095954324 222364532 /nfs/dbraw/zinc/36/45/32/222364532.db2.gz FARBQPNIEKHISK-UHFFFAOYSA-N 0 0 391.521 5.423 50 0 GKAARN Cc1ccc(Sc2c(Cl)cccc2NC(=O)c2c[nH]c(C)cc2=O)cc1 ZINC000095962897 222365560 /nfs/dbraw/zinc/36/55/60/222365560.db2.gz DSBSVJLZZJGMNP-UHFFFAOYSA-N 0 0 384.888 5.049 50 0 GKAARN COc1ccc(C)cc1-c1csc(NC(=O)c2cnn(C(C)C)c2C2CC2)n1 ZINC000095980163 222367104 /nfs/dbraw/zinc/36/71/04/222367104.db2.gz ZKFRMOFDQDVEDN-UHFFFAOYSA-N 0 0 396.516 5.034 50 0 GKAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)c1ccccc1C(F)(F)F ZINC000096024501 222372502 /nfs/dbraw/zinc/37/25/02/222372502.db2.gz XZZDEPYNTNOQLM-UHFFFAOYSA-N 0 0 390.430 5.376 50 0 GKAARN CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccccc32)cc1 ZINC000096035925 222373376 /nfs/dbraw/zinc/37/33/76/222373376.db2.gz NJIKPDPRWNWROV-UHFFFAOYSA-N 0 0 383.495 5.608 50 0 GKAARN O=C(Cc1ccc(Br)cc1)NCc1ccccc1-c1ccsc1 ZINC000096122927 222384464 /nfs/dbraw/zinc/38/44/64/222384464.db2.gz OLCGNXZYDXHSOG-UHFFFAOYSA-N 0 0 386.314 5.037 50 0 GKAARN O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccccc1F ZINC000096124429 222385067 /nfs/dbraw/zinc/38/50/67/222385067.db2.gz NOFVANLLNDXWDZ-UHFFFAOYSA-N 0 0 390.443 5.340 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000096222841 222398015 /nfs/dbraw/zinc/39/80/15/222398015.db2.gz PPTFBUYOZSCJLX-FQEVSTJZSA-N 0 0 377.875 5.039 50 0 biogenic GKAARN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1C ZINC000096290363 222409229 /nfs/dbraw/zinc/40/92/29/222409229.db2.gz YFWPNTMADHIFFT-QFIPXVFZSA-N 0 0 397.478 5.067 50 0 GKAARN CCn1c2ccccc2c(CNC(=O)Nc2ccccc2F)c1-c1cccs1 ZINC000096399153 222419153 /nfs/dbraw/zinc/41/91/53/222419153.db2.gz XCARQXGRCYIKTA-UHFFFAOYSA-N 0 0 393.487 5.851 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](/C=C\c1cccs1)Nc1ccccc1-2 ZINC000096594592 222423473 /nfs/dbraw/zinc/42/34/73/222423473.db2.gz OHXOUHGNVVTIBS-MQNTZWLQSA-N 0 0 396.541 5.336 50 0 GKAARN COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc(Cl)c1OC(F)F ZINC000096662876 222423569 /nfs/dbraw/zinc/42/35/69/222423569.db2.gz HWTKBVPTBDASKE-WCIBSUBMSA-N 0 0 386.181 5.096 50 0 GKAARN Cc1cc(/C=C\C(=O)N2CCC[C@H]2c2cccs2)c(C)n1Cc1ccco1 ZINC000096586201 222423852 /nfs/dbraw/zinc/42/38/52/222423852.db2.gz VFCCHVACLJWTLD-QJRAZLAKSA-N 0 0 380.513 5.185 50 0 GKAARN COc1cc(CN(C)C(=O)/C=C\c2ccsc2)ccc1OCc1ccccc1 ZINC000096869751 222427247 /nfs/dbraw/zinc/42/72/47/222427247.db2.gz BZLOIBBMNSBTQA-LUAWRHEFSA-N 0 0 393.508 5.008 50 0 GKAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1F)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073094 222454264 /nfs/dbraw/zinc/45/42/64/222454264.db2.gz NOTZZSQOAKJKAC-ZDUSSCGKSA-N 0 0 383.369 5.077 50 0 GKAARN COC1=Cc2ccc3c(c2CC1)CC[C@@]1(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@H]31 ZINC000101125734 222467450 /nfs/dbraw/zinc/46/74/50/222467450.db2.gz HGMNCWQJFNALQH-FXYMSTDBSA-N 0 0 394.643 7.775 50 0 GKAARN COc1ccccc1[C@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000101217953 222469540 /nfs/dbraw/zinc/46/95/40/222469540.db2.gz WYJITZCEVFDNJJ-JOCHJYFZSA-N 0 0 380.451 5.010 50 0 GKAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)C(N1CCCCC1)=Nc1ccccc1O2 ZINC000102862357 222486737 /nfs/dbraw/zinc/48/67/37/222486737.db2.gz JDKYTTHQNRNDBL-UHFFFAOYSA-N 0 0 391.515 5.731 50 0 GKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H]5C[C@]4(CO5)[C@H]3CC[C@]12C ZINC000118915752 222523404 /nfs/dbraw/zinc/52/34/04/222523404.db2.gz CAFQTADKAGPOOJ-VWHLHOJFSA-N 0 0 386.664 7.487 50 0 GKAARN CO[C@H](C)c1cccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000133715316 222527246 /nfs/dbraw/zinc/52/72/46/222527246.db2.gz NIGASIHXNOZPLX-LLVKDONJSA-N 0 0 378.259 5.363 50 0 GKAARN CC(C)c1cccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c1 ZINC000169759747 222541060 /nfs/dbraw/zinc/54/10/60/222541060.db2.gz JWPCAKLOCXPUCL-OAQYLSRUSA-N 0 0 395.890 5.184 50 0 GKAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CCCCCC2 ZINC000002087467 533701050 /nfs/dbraw/zinc/70/10/50/533701050.db2.gz HFYGQPXZSQCOHG-BUHFOSPRSA-N 0 0 383.513 5.154 50 0 GKAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC1CCCC1 ZINC000004413767 534020316 /nfs/dbraw/zinc/02/03/16/534020316.db2.gz SJBGHSVXYACJMP-MRXNPFEDSA-N 0 0 392.524 5.548 50 0 GKAARN C[C@@H]1CC(Sc2nnc(Cc3cccs3)n2C2CCCCC2)C[C@@H](C)O1 ZINC000089920185 534151741 /nfs/dbraw/zinc/15/17/41/534151741.db2.gz HDQFNXJKYNXXOT-HUUCEWRRSA-N 0 0 391.606 5.484 50 0 GKAARN COc1ccc(NC(C)=O)cc1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000007984058 534185022 /nfs/dbraw/zinc/18/50/22/534185022.db2.gz PWVNPCDXMGPQIC-UHFFFAOYSA-N 0 0 390.468 5.069 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)C3=Cc4ccccc4OC=C3)s2)cc1C ZINC000012274551 518189001 /nfs/dbraw/zinc/18/90/01/518189001.db2.gz DMMRHWZNIDDDPQ-UHFFFAOYSA-N 0 0 388.492 5.279 50 0 GKAARN Clc1ccc([C@@H](Sc2n[nH]c(-c3ccccc3)n2)c2ccccc2)cc1 ZINC000006178663 518194607 /nfs/dbraw/zinc/19/46/07/518194607.db2.gz OTQBDRKFBYNMLY-IBGZPJMESA-N 0 0 377.900 6.007 50 0 GKAARN O=C(COc1ccc(-c2ccccc2)cc1)NC1CCCCCCCCCCC1 ZINC000004037667 518198762 /nfs/dbraw/zinc/19/87/62/518198762.db2.gz LRIDWTWULJYXPS-UHFFFAOYSA-N 0 0 393.571 6.522 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCCC1 ZINC000002871987 518198772 /nfs/dbraw/zinc/19/87/72/518198772.db2.gz NEQKIENJERCMKA-UHFFFAOYSA-N 0 0 381.328 5.324 50 0 GKAARN CC(C)(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003322665 518556410 /nfs/dbraw/zinc/55/64/10/518556410.db2.gz OJZQJPRBBMDMKK-UHFFFAOYSA-N 0 0 387.888 5.389 50 0 GKAARN FC(F)(F)c1cc(Cl)nc(Nc2ncnc(-c3cccc(Cl)c3)n2)c1 ZINC000091695194 534415929 /nfs/dbraw/zinc/41/59/29/534415929.db2.gz JUAZWSQXVLCWES-UHFFFAOYSA-N 0 0 386.164 5.003 50 0 GKAARN CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(C)cc2)c2ccccc2)C[C@H]1C ZINC000000828875 519640699 /nfs/dbraw/zinc/64/06/99/519640699.db2.gz GCYCCLLYGCJMGL-CLOONOSVSA-N 0 0 398.506 5.528 50 0 GKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(C)cc2)c2ccccc2)C[C@@H]1C ZINC000000828878 519640908 /nfs/dbraw/zinc/64/09/08/519640908.db2.gz GCYCCLLYGCJMGL-UQBPGWFLSA-N 0 0 398.506 5.528 50 0 GKAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](C)[C@](C)(C(C)=O)[C@]4(C)CC[C@H]32)C1 ZINC000253503520 519757768 /nfs/dbraw/zinc/75/77/68/519757768.db2.gz CYQDBDOFCYSROZ-HFZUQMIGSA-N 0 0 386.576 5.722 50 0 GKAARN CCNc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)s1 ZINC000008185171 520384226 /nfs/dbraw/zinc/38/42/26/520384226.db2.gz BXRAPKNHSLEPHS-SFHVURJKSA-N 0 0 394.525 5.168 50 0 GKAARN Fc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2c2ccccc2)cc1 ZINC000004414473 534496784 /nfs/dbraw/zinc/49/67/84/534496784.db2.gz RSKBCIXXDMRWOF-HHHXNRCGSA-N 0 0 392.477 6.848 50 0 GKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000000822165 520686464 /nfs/dbraw/zinc/68/64/64/520686464.db2.gz LEFGGEBXDWZTCM-UHFFFAOYSA-N 0 0 387.526 6.241 50 0 GKAARN CCOc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)c1 ZINC000008185989 521326817 /nfs/dbraw/zinc/32/68/17/521326817.db2.gz ILSXDVZAMUIRTB-UHFFFAOYSA-N 0 0 399.450 5.363 50 0 GKAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Cl)c3Cl)C2)cc1 ZINC000101112776 534638413 /nfs/dbraw/zinc/63/84/13/534638413.db2.gz DOQUPYJUHDDMPU-HNNXBMFYSA-N 0 0 377.662 5.294 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000003218029 534639831 /nfs/dbraw/zinc/63/98/31/534639831.db2.gz AVCBAAZIRMNNJY-UHFFFAOYSA-N 0 0 394.298 5.150 50 0 GKAARN O=C(CSc1ccc2ccccc2n1)Nc1ccccc1Oc1ccccc1 ZINC000006399907 534673558 /nfs/dbraw/zinc/67/35/58/534673558.db2.gz LCQHJTVTDQZHAR-UHFFFAOYSA-N 0 0 386.476 5.758 50 0 GKAARN Cc1cc(C)c(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C)c1 ZINC000020344443 524292530 /nfs/dbraw/zinc/29/25/30/524292530.db2.gz XMQHNLXTYKRILB-UHFFFAOYSA-N 0 0 383.495 5.191 50 0 GKAARN COc1ccccc1NC(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033123831 524616601 /nfs/dbraw/zinc/61/66/01/524616601.db2.gz OAQNSKHBESMAOQ-UHFFFAOYSA-N 0 0 391.858 6.141 50 0 GKAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)o1 ZINC000029884839 524969957 /nfs/dbraw/zinc/96/99/57/524969957.db2.gz PDPVRLWRXPMGMT-YCRPNKLZSA-N 0 0 391.442 5.045 50 0 GKAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl ZINC000003448237 525197868 /nfs/dbraw/zinc/19/78/68/525197868.db2.gz ROHFHHQBSHILLN-FQEVSTJZSA-N 0 0 397.833 5.324 50 0 aggregator GKAARN Cc1ccc(Nc2nc(O)c(Cc3cc(Cl)ccc3Cl)s2)cc1C ZINC000005812901 525269401 /nfs/dbraw/zinc/26/94/01/525269401.db2.gz TZJKWVJRQNSISA-MRXNPFEDSA-N 0 0 379.312 5.263 50 0 GKAARN Cc1ccc(Nc2nc(O)c(Cc3cccc(Cl)c3Cl)s2)cc1C ZINC000005812906 525270031 /nfs/dbraw/zinc/27/00/31/525270031.db2.gz RKUBUGVKPXQMSK-OAHLLOKOSA-N 0 0 379.312 5.263 50 0 GKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1 ZINC000000753338 525277298 /nfs/dbraw/zinc/27/72/98/525277298.db2.gz JQYREBXPZWEONB-VGOFRKELSA-N 0 0 390.458 5.183 50 0 GKAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)o1 ZINC000029884836 525338800 /nfs/dbraw/zinc/33/88/00/525338800.db2.gz PDPVRLWRXPMGMT-VFNWGFHPSA-N 0 0 391.442 5.045 50 0 GKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(F)cc1)[C@@H]2O ZINC000390834858 525350658 /nfs/dbraw/zinc/35/06/58/525350658.db2.gz IUDYMYPCMLHUKY-PDQRKMNRSA-N 0 0 378.487 5.442 50 0 GKAARN C[C@@H]1c2cccc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2O[C@H]1C ZINC000252445422 525716811 /nfs/dbraw/zinc/71/68/11/525716811.db2.gz VPCOISIMLIMUHM-HRCADAONSA-N 0 0 392.524 5.201 50 0 GKAARN C[C@@]12C=CC[C@@H]1[C@H]1CC[C@H]3C[C@@H](OC(=O)c4ccccc4)CC[C@]3(C)[C@@H]1CC2 ZINC000252629090 525909258 /nfs/dbraw/zinc/90/92/58/525909258.db2.gz TYIHIKBNILWRFK-PQTJCNBWSA-N 0 0 378.556 6.421 50 0 GKAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1cccc(F)c1)[C@H]2O ZINC000253498467 525914204 /nfs/dbraw/zinc/91/42/04/525914204.db2.gz RSZDAUAOALQEHV-PXMDBCDUSA-N 0 0 396.546 5.504 50 0 GKAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]21 ZINC000017987965 526210434 /nfs/dbraw/zinc/21/04/34/526210434.db2.gz YXDAVHZJKJSZKJ-NPFVIJTESA-N 0 0 389.495 5.478 50 0 GKAARN Cc1ccc(C(=O)[C@@H](Sc2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 ZINC000002652333 526239239 /nfs/dbraw/zinc/23/92/39/526239239.db2.gz KSEDOPFQCJREFL-DEOSSOPVSA-N 0 0 390.504 5.791 50 0 GKAARN COc1cccc(Oc2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)c1 ZINC000002154615 526240072 /nfs/dbraw/zinc/24/00/72/526240072.db2.gz BZUNFKAIUHTJAK-UHFFFAOYSA-N 0 0 388.419 5.481 50 0 biogenic GKAARN C/C=C/c1ccc(OCCOc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 ZINC000002983744 526308888 /nfs/dbraw/zinc/30/88/88/526308888.db2.gz XDUGXEGHPOJGMT-XVNBXDOJSA-N 0 0 388.463 5.417 50 0 GKAARN CC(C)(C)OC(=O)Nc1ccc(Br)c(OCc2ccccc2)c1 ZINC000409444194 526495015 /nfs/dbraw/zinc/49/50/15/526495015.db2.gz TWGHCNIJISVYCZ-UHFFFAOYSA-N 0 0 378.266 5.375 50 0 GKAARN O=C(CCNc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002522067 526514950 /nfs/dbraw/zinc/51/49/50/526514950.db2.gz MZACCJKMRXXIRJ-UHFFFAOYSA-N 0 0 393.486 6.831 50 0 GKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccccc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413509 526524729 /nfs/dbraw/zinc/52/47/29/526524729.db2.gz FUNVDLVAEKAGQR-OAQYLSRUSA-N 0 0 385.467 5.072 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000000831392 527133856 /nfs/dbraw/zinc/13/38/56/527133856.db2.gz MHDIDZBAAOKNJJ-LJQANCHMSA-N 0 0 397.247 5.359 50 0 GKAARN O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000000831391 527134711 /nfs/dbraw/zinc/13/47/11/527134711.db2.gz MHDIDZBAAOKNJJ-IBGZPJMESA-N 0 0 397.247 5.359 50 0 GKAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3Oc3ccccc3)c2O1 ZINC000008391399 527778307 /nfs/dbraw/zinc/77/83/07/527778307.db2.gz AWFJDOMBGLVYGI-UHFFFAOYSA-N 0 0 389.451 5.210 50 0 GKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(CC)cc3)=NN21 ZINC000025582073 527871727 /nfs/dbraw/zinc/87/17/27/527871727.db2.gz URTQTUCJQNJLTB-CTNGQTDRSA-N 0 0 399.332 5.681 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccccc1 ZINC000001829168 528296481 /nfs/dbraw/zinc/29/64/81/528296481.db2.gz LIMHPUIROCNJCR-DEOSSOPVSA-N 0 0 381.560 6.042 50 0 biogenic GKAARN CCCSc1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000005268262 528832202 /nfs/dbraw/zinc/83/22/02/528832202.db2.gz DMQNFPYDBSYLNI-UHFFFAOYSA-N 0 0 384.892 5.290 50 0 GKAARN CC[C@H](C)NC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000408526020 529161711 /nfs/dbraw/zinc/16/17/11/529161711.db2.gz PAWRYBPGGJIMIP-INIZCTEOSA-N 0 0 396.922 5.133 50 0 GKAARN CCCC1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)CC1 ZINC000072193656 534918304 /nfs/dbraw/zinc/91/83/04/534918304.db2.gz YRXAMSJVABMIOX-UHFFFAOYSA-N 0 0 396.497 6.241 50 0 GKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnc(C(C)(C)C)s2)cc1 ZINC000063494319 536666538 /nfs/dbraw/zinc/66/65/38/536666538.db2.gz VWWXSXBBQWPLAJ-LJQANCHMSA-N 0 0 393.512 5.220 50 0 GKAARN COC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000096104503 536757922 /nfs/dbraw/zinc/75/79/22/536757922.db2.gz YTCIOVBGIJCBAY-UHFFFAOYSA-N 0 0 386.495 5.221 50 0 GKAARN COC(=O)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000003647350 538859444 /nfs/dbraw/zinc/85/94/44/538859444.db2.gz KNYFSAKIIHVLSO-KBXCAEBGSA-N 0 0 398.528 5.115 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004084618 560123242 /nfs/dbraw/zinc/12/32/42/560123242.db2.gz DNVPQKQSNYMLRS-APGDWVJJSA-N 0 0 396.659 7.331 50 0 metabolite,world GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000005761088 560202979 /nfs/dbraw/zinc/20/29/79/560202979.db2.gz QSVJYFLQYMVBDR-CMNOFMQQSA-N 0 0 394.643 7.251 50 0 in-vitro,metabolite GKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1Br ZINC000000622472 570210638 /nfs/dbraw/zinc/21/06/38/570210638.db2.gz SRGQCCFQXAQNEP-UHFFFAOYSA-N 0 0 382.257 5.280 50 0 GKAARN O=C(COc1ccccc1)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000000623072 570211071 /nfs/dbraw/zinc/21/10/71/570211071.db2.gz RAHSZFAYUVELTB-UHFFFAOYSA-N 0 0 398.487 5.399 50 0 GKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3cccc(F)c3)cc21 ZINC000000623914 570211091 /nfs/dbraw/zinc/21/10/91/570211091.db2.gz PBDSQBCKVSZWJL-UHFFFAOYSA-N 0 0 393.208 5.008 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000000625247 570211157 /nfs/dbraw/zinc/21/11/57/570211157.db2.gz ZWFVBGZIHKOTTL-UHFFFAOYSA-N 0 0 387.302 5.057 50 0 GKAARN Cc1ccc([C@@H](CC(=O)c2cccc(Br)c2)[C@@H]2CCCCC2=O)cc1 ZINC000000624368 570211175 /nfs/dbraw/zinc/21/11/75/570211175.db2.gz WQEREVXFBCSOMD-VQTJNVASSA-N 0 0 399.328 5.873 50 0 GKAARN Clc1cc(Cl)cc(NCc2cccc(OCCOc3ccccc3)c2)c1 ZINC000019737744 570211728 /nfs/dbraw/zinc/21/17/28/570211728.db2.gz SWHKVCHXYZYCOL-UHFFFAOYSA-N 0 0 388.294 6.063 50 0 GKAARN CC[C@@H](C)Oc1cccc(NCc2ccccc2OCCc2ccccc2)c1 ZINC000019737566 570211878 /nfs/dbraw/zinc/21/18/78/570211878.db2.gz ZVDUTJLKIVSVHV-HXUWFJFHSA-N 0 0 375.512 6.098 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000632251 570212003 /nfs/dbraw/zinc/21/20/03/570212003.db2.gz SEKRPJSPFULZMU-UHFFFAOYSA-N 0 0 381.646 5.863 50 0 GKAARN O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000632710 570212090 /nfs/dbraw/zinc/21/20/90/570212090.db2.gz QJBFCNCLORQJGB-UHFFFAOYSA-N 0 0 375.378 5.070 50 0 GKAARN C[C@@H](Oc1ccccc1)c1nn2c(nnc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000000632761 570212188 /nfs/dbraw/zinc/21/21/88/570212188.db2.gz KIZFJNMRRNGJEB-LLVKDONJSA-N 0 0 390.390 5.012 50 0 GKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000000637809 570212952 /nfs/dbraw/zinc/21/29/52/570212952.db2.gz DGFWBBXGSANCRO-QFIPXVFZSA-N 0 0 398.911 5.436 50 0 GKAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000637667 570212967 /nfs/dbraw/zinc/21/29/67/570212967.db2.gz QEIAYPNWHOYCCL-UHFFFAOYSA-N 0 0 378.299 6.059 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccc(C)cc3C)cc12 ZINC000000638971 570213251 /nfs/dbraw/zinc/21/32/51/570213251.db2.gz GVIYLPOQWWEFOK-UHFFFAOYSA-N 0 0 398.462 5.026 50 0 GKAARN COc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000000639245 570213316 /nfs/dbraw/zinc/21/33/16/570213316.db2.gz MIDDLGBPIGIDDQ-UHFFFAOYSA-N 0 0 386.476 5.738 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c1ccc1ccccc12 ZINC000000638872 570213349 /nfs/dbraw/zinc/21/33/49/570213349.db2.gz XAUUBXCFULIFHT-UHFFFAOYSA-N 0 0 377.827 5.154 50 0 GKAARN Cc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2cccnc2)cc1Cl ZINC000046149914 570213403 /nfs/dbraw/zinc/21/34/03/570213403.db2.gz HPIYCJBZJBGRQO-UHFFFAOYSA-N 0 0 376.847 5.836 50 0 GKAARN Cc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc2n1 ZINC000000644545 570213939 /nfs/dbraw/zinc/21/39/39/570213939.db2.gz SPLXDRVBFZEVCE-DEOSSOPVSA-N 0 0 381.431 5.324 50 0 GKAARN CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000000644014 570213991 /nfs/dbraw/zinc/21/39/91/570213991.db2.gz PJYYXODYTXCDEM-OAHLLOKOSA-N 0 0 384.545 5.418 50 0 GKAARN Cc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 ZINC000000645445 570213994 /nfs/dbraw/zinc/21/39/94/570213994.db2.gz OAMUSPXLCOGKBP-UHFFFAOYSA-N 0 0 378.405 5.174 50 0 aggregator GKAARN COc1ccccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000000652216 570214262 /nfs/dbraw/zinc/21/42/62/570214262.db2.gz MWCAMXUNCJLWQG-UHFFFAOYSA-N 0 0 389.495 5.824 50 0 GKAARN COc1cccc([C@@H](C)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000000649047 570214308 /nfs/dbraw/zinc/21/43/08/570214308.db2.gz SORJMUBSFDTIEW-SNVBAGLBSA-N 0 0 380.296 5.708 50 0 GKAARN COc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1 ZINC000000655300 570214691 /nfs/dbraw/zinc/21/46/91/570214691.db2.gz WUQGIMAERBVRGJ-UHFFFAOYSA-N 0 0 384.526 5.613 50 0 aggregator GKAARN COC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000000656857 570214708 /nfs/dbraw/zinc/21/47/08/570214708.db2.gz VEMCUVHRAIGNCL-UHFFFAOYSA-N 0 0 378.881 5.101 50 0 GKAARN COC(=O)c1c(NC(=O)c2ccccc2F)scc1-c1ccc(Cl)cc1 ZINC000000656452 570214732 /nfs/dbraw/zinc/21/47/32/570214732.db2.gz VIFZFUWNUDPPMK-UHFFFAOYSA-N 0 0 389.835 5.247 50 0 GKAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4)sc3n2)cc1 ZINC000000661597 570215103 /nfs/dbraw/zinc/21/51/03/570215103.db2.gz BRURLCOGVBJTLM-UHFFFAOYSA-N 0 0 394.883 5.439 50 0 GKAARN CC(C)Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000000663959 570215115 /nfs/dbraw/zinc/21/51/15/570215115.db2.gz VVDXEQRPXGWOSB-UHFFFAOYSA-N 0 0 393.343 5.595 50 0 GKAARN CCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccccc2Cl)cc1OCC ZINC000000668047 570215502 /nfs/dbraw/zinc/21/55/02/570215502.db2.gz LWCRHOMGNZFFSK-GFCCVEGCSA-N 0 0 382.287 5.282 50 0 GKAARN O=C(NCCc1cccc(Cl)c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000668796 570215522 /nfs/dbraw/zinc/21/55/22/570215522.db2.gz YXMDQGDCWCECET-NRFANRHFSA-N 0 0 381.928 5.532 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1Br ZINC000000672558 570215700 /nfs/dbraw/zinc/21/57/00/570215700.db2.gz JEOAHCUCNSZLAC-UHFFFAOYSA-N 0 0 397.272 5.454 50 0 GKAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1cccs1 ZINC000000671449 570215762 /nfs/dbraw/zinc/21/57/62/570215762.db2.gz TUSHLJXDBQFABA-MDZDMXLPSA-N 0 0 383.494 5.224 50 0 GKAARN COc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(OC)cc1Cl ZINC000000678476 570216384 /nfs/dbraw/zinc/21/63/84/570216384.db2.gz DQMGVZFKUJGDJI-UHFFFAOYSA-N 0 0 397.858 5.189 50 0 GKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000000677611 570216408 /nfs/dbraw/zinc/21/64/08/570216408.db2.gz BCBDDNLFQWOPPS-UHFFFAOYSA-N 0 0 382.423 5.036 50 0 GKAARN COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000000681037 570216748 /nfs/dbraw/zinc/21/67/48/570216748.db2.gz WEKVOTHRNGXAFE-UHFFFAOYSA-N 0 0 390.222 5.292 50 0 GKAARN C[C@@H](C(=O)Nc1cccc2ccccc21)c1cccc(C(=O)c2ccccc2)c1 ZINC000000682420 570217050 /nfs/dbraw/zinc/21/70/50/570217050.db2.gz CWWRRHUKXHUVCB-GOSISDBHSA-N 0 0 379.459 5.813 50 0 GKAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000682370 570217055 /nfs/dbraw/zinc/21/70/55/570217055.db2.gz XVWCDJXCMIFGJI-SNVBAGLBSA-N 0 0 386.662 5.255 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000000683049 570217477 /nfs/dbraw/zinc/21/74/77/570217477.db2.gz XMTLNJDBMFSUBF-UHFFFAOYSA-N 0 0 392.458 5.858 50 0 GKAARN CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 ZINC000000682953 570217505 /nfs/dbraw/zinc/21/75/05/570217505.db2.gz VFZHBLARMMVXTB-UHFFFAOYSA-N 0 0 381.303 5.166 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3C)c2)c1 ZINC000000683233 570217526 /nfs/dbraw/zinc/21/75/26/570217526.db2.gz FGJGNNOLVHIXIH-UHFFFAOYSA-N 0 0 392.886 5.770 50 0 GKAARN Cc1ccc([C@H]2c3ccccc3OC(c3ccccc3)=C2CN2CCOCC2)cc1 ZINC000019770566 570217863 /nfs/dbraw/zinc/21/78/63/570217863.db2.gz RYNRCKKXZWKYSH-SANMLTNESA-N 0 0 397.518 5.263 50 0 GKAARN Cc1ccc(CSc2nnc(NC(=O)c3cccc4ccccc43)s2)cc1 ZINC000000702360 570218627 /nfs/dbraw/zinc/21/86/27/570218627.db2.gz DKZYHGLQCDYWLN-UHFFFAOYSA-N 0 0 391.521 5.544 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000011551507 570219037 /nfs/dbraw/zinc/21/90/37/570219037.db2.gz UMKYDEWJAWREQO-UHFFFAOYSA-N 0 0 381.888 5.050 50 0 GKAARN O=C(Nc1ccc(Br)cc1Br)OC1CCCCC1 ZINC000000710844 570219282 /nfs/dbraw/zinc/21/92/82/570219282.db2.gz XZRXWEQGGKVCJJ-UHFFFAOYSA-N 0 0 377.076 5.093 50 0 GKAARN O=C(Oc1ccc(C2SCCS2)cc1)c1csc(-c2ccco2)n1 ZINC000044018921 570219649 /nfs/dbraw/zinc/21/96/49/570219649.db2.gz DSKLVSLSSYMKGZ-UHFFFAOYSA-N 0 0 375.496 5.101 50 0 GKAARN Cc1ccc2nc(-c3cc(NC(=O)c4ccccc4C)ccc3Cl)oc2c1 ZINC000000722597 570220369 /nfs/dbraw/zinc/22/03/69/570220369.db2.gz ACWVUXKKDCCTEG-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc5ccccc5o4)c3)nc2c1 ZINC000000722594 570220373 /nfs/dbraw/zinc/22/03/73/570220373.db2.gz FQLIRTFDNPSPRB-UHFFFAOYSA-N 0 0 396.446 6.364 50 0 GKAARN O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc2ccccc2c1 ZINC000000725720 570221158 /nfs/dbraw/zinc/22/11/58/570221158.db2.gz VMZWVVWYCSSWRY-UHFFFAOYSA-N 0 0 377.465 5.266 50 0 GKAARN Cc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)cc1 ZINC000019810150 570221326 /nfs/dbraw/zinc/22/13/26/570221326.db2.gz HAVPYBMZVBFYLT-DHZHZOJOSA-N 0 0 383.520 6.048 50 0 GKAARN O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000000728070 570221340 /nfs/dbraw/zinc/22/13/40/570221340.db2.gz ACVLMEAFDITPJU-UHFFFAOYSA-N 0 0 388.854 5.584 50 0 GKAARN CCc1ccccc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000728440 570221416 /nfs/dbraw/zinc/22/14/16/570221416.db2.gz JSPVWPQENDORLM-UHFFFAOYSA-N 0 0 375.255 5.772 50 0 GKAARN O=C1C[C@@H](c2cccs2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000000727904 570221432 /nfs/dbraw/zinc/22/14/32/570221432.db2.gz UXPSNFVRSPUFBT-SFHVURJKSA-N 0 0 388.517 6.156 50 0 GKAARN Cc1c2cc(NC(=O)c3cccs3)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729450 570221524 /nfs/dbraw/zinc/22/15/24/570221524.db2.gz QTYQIOBPYMUMEO-UHFFFAOYSA-N 0 0 375.449 5.594 50 0 GKAARN Cc1ccc(N2C(=O)[C@H](Oc3ccccc3)[C@H]2c2ccccc2Cl)cc1C ZINC000000729547 570221564 /nfs/dbraw/zinc/22/15/64/570221564.db2.gz KSDZFGZAJSMAHR-FGZHOGPDSA-N 0 0 377.871 5.492 50 0 GKAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)c1 ZINC000015729356 570221652 /nfs/dbraw/zinc/22/16/52/570221652.db2.gz ZFZBYKIZJGRUPE-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN Cc1c(C(=O)N2CCc3ccccc32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000751994 570221972 /nfs/dbraw/zinc/22/19/72/570221972.db2.gz DMSOEMHSXLRLEW-UHFFFAOYSA-N 0 0 379.463 5.051 50 0 GKAARN CC(=O)Nc1ccc(OCc2c(C)c(C)c(Br)c(C)c2C)cc1 ZINC000000753184 570222014 /nfs/dbraw/zinc/22/20/14/570222014.db2.gz DYTDPCMJPCEXGE-UHFFFAOYSA-N 0 0 376.294 5.220 50 0 GKAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000019819532 570222522 /nfs/dbraw/zinc/22/25/22/570222522.db2.gz KYNFNSAOPSXYKR-UHFFFAOYSA-N 0 0 397.569 5.352 50 0 GKAARN COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 ZINC000019824817 570222791 /nfs/dbraw/zinc/22/27/91/570222791.db2.gz BHENXZXCBJUTEM-UHFFFAOYSA-N 0 0 393.537 5.605 50 0 GKAARN CC(C)[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cccc2c1CCCC2 ZINC000015732169 570223417 /nfs/dbraw/zinc/22/34/17/570223417.db2.gz WMPKWOCPMDMRSB-RUZDIDTESA-N 0 0 399.538 6.101 50 0 GKAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000006047708 570223811 /nfs/dbraw/zinc/22/38/11/570223811.db2.gz XIEZXQBQCSXBLM-UHFFFAOYSA-N 0 0 390.479 5.421 50 0 GKAARN Cc1cc(C)cc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733373 570224029 /nfs/dbraw/zinc/22/40/29/570224029.db2.gz OBVOCLJWZXJVCM-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc(C)c(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733363 570224157 /nfs/dbraw/zinc/22/41/57/570224157.db2.gz VTGULXCVXYDLIV-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2s1 ZINC000000809535 570224377 /nfs/dbraw/zinc/22/43/77/570224377.db2.gz VCBZVDHRGGGNJV-UHFFFAOYSA-N 0 0 388.448 5.253 50 0 GKAARN O=C1O[C@@H](c2ccc(Cl)cc2Cl)CN1c1cccc(C(F)(F)F)c1 ZINC000085384829 570224514 /nfs/dbraw/zinc/22/45/14/570224514.db2.gz UDDXZHTUIIPPQJ-CQSZACIVSA-N 0 0 376.161 5.710 50 0 GKAARN O=C1O[C@H](c2ccc(Cl)cc2Cl)CN1c1cccc(C(F)(F)F)c1 ZINC000085384833 570224536 /nfs/dbraw/zinc/22/45/36/570224536.db2.gz UDDXZHTUIIPPQJ-AWEZNQCLSA-N 0 0 376.161 5.710 50 0 GKAARN CCCCC[C@H](NC(=O)OCc1ccccc1)[P@](=O)(OC)c1ccccc1 ZINC000085389569 570224558 /nfs/dbraw/zinc/22/45/58/570224558.db2.gz VXRBUJJBIHOEHQ-NFQMXDRXSA-N 0 0 389.432 5.069 50 0 GKAARN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC000085389510 570224678 /nfs/dbraw/zinc/22/46/78/570224678.db2.gz VQCNGDSLHBXRBA-VDZCTEQFSA-N 0 0 379.500 5.635 50 0 GKAARN CC(C)[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NC1CCCC1)CCCC3 ZINC000015735650 570225074 /nfs/dbraw/zinc/22/50/74/570225074.db2.gz NYSMNOGXEPTJAC-OAQYLSRUSA-N 0 0 397.588 5.583 50 0 GKAARN COc1ccccc1Oc1coc2cc(OCc3ccc(C)cc3)ccc2c1=O ZINC000001448108 570225379 /nfs/dbraw/zinc/22/53/79/570225379.db2.gz CHSWTHVCRLATLY-UHFFFAOYSA-N 0 0 388.419 5.481 50 0 biogenic GKAARN COc1ccccc1-c1coc2cc(OC(=O)/C=C/c3ccccc3)ccc2c1=O ZINC000001448048 570225386 /nfs/dbraw/zinc/22/53/86/570225386.db2.gz OZCAXZMVWODLMH-SDNWHVSQSA-N 0 0 398.414 5.087 50 0 aggregator,biogenic GKAARN C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1ccccc1Cl ZINC000012812155 570225864 /nfs/dbraw/zinc/22/58/64/570225864.db2.gz IGGNQHSHEOGGHH-GFCCVEGCSA-N 0 0 399.903 5.091 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccc(C(C)C)cc3)s2)cc1 ZINC000001453241 570226641 /nfs/dbraw/zinc/22/66/41/570226641.db2.gz TXSCXBWXFIMMMD-JLHYYAGUSA-N 0 0 376.525 5.818 50 0 GKAARN O=C(N[C@H]1CCSc2ccc(F)cc21)N[C@H]1CCSc2ccc(F)cc21 ZINC000048252151 570226837 /nfs/dbraw/zinc/22/68/37/570226837.db2.gz FQOPHTBKZLXIQO-HOTGVXAUSA-N 0 0 392.496 5.038 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1cccs1 ZINC000001455660 570227071 /nfs/dbraw/zinc/22/70/71/570227071.db2.gz BZFASSGWURRCJY-UHFFFAOYSA-N 0 0 377.512 5.276 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000000859817 570227116 /nfs/dbraw/zinc/22/71/16/570227116.db2.gz GWWYNNZDCZVSNX-UHFFFAOYSA-N 0 0 382.463 5.861 50 0 GKAARN COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN21 ZINC000019893484 570227832 /nfs/dbraw/zinc/22/78/32/570227832.db2.gz MWXOWQDECWUVOZ-DYESRHJHSA-N 0 0 380.831 5.184 50 0 GKAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)o1 ZINC000048288052 570227868 /nfs/dbraw/zinc/22/78/68/570227868.db2.gz UUOIYFBJFPWQEK-XHDPSFHLSA-N 0 0 392.377 5.055 50 0 GKAARN CCCCC[C@@H](C)NC(=O)c1cncn1-c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000023306108 570228153 /nfs/dbraw/zinc/22/81/53/570228153.db2.gz RAXLILSQUKGDOF-HXUWFJFHSA-N 0 0 389.543 5.855 50 0 GKAARN CC(C)=CC(=O)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)CC1 ZINC000023306126 570228299 /nfs/dbraw/zinc/22/82/99/570228299.db2.gz QTHJUOZGADMKFA-UHFFFAOYSA-N 0 0 390.502 5.501 50 0 GKAARN COc1cccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)c1 ZINC000000898928 570229112 /nfs/dbraw/zinc/22/91/12/570229112.db2.gz WYRRBLAROTUBDQ-UHFFFAOYSA-N 0 0 382.554 6.221 50 0 GKAARN Cc1ccc(Cc2nc(CSc3cccc(Cl)c3Cl)cs2)cc1 ZINC000023307532 570229296 /nfs/dbraw/zinc/22/92/96/570229296.db2.gz ZQYJFAAXMMBPQM-UHFFFAOYSA-N 0 0 380.365 6.641 50 0 GKAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@H](NC(=O)c1c(C)cccc1Cl)C3 ZINC000023306628 570229394 /nfs/dbraw/zinc/22/93/94/570229394.db2.gz JLFQZLWPSPJWNM-AWEZNQCLSA-N 0 0 387.310 5.379 50 0 GKAARN O=C(Nc1ccc(-c2nc3c(cc(Cl)cc3Cl)[nH]2)cc1)C1CCCCC1 ZINC000000911933 570229437 /nfs/dbraw/zinc/22/94/37/570229437.db2.gz ONNCAQNVAACIPR-UHFFFAOYSA-N 0 0 388.298 6.056 50 0 GKAARN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)Nc1cccc2ccccc21 ZINC000011563000 570229665 /nfs/dbraw/zinc/22/96/65/570229665.db2.gz GCHOWFNCAMETSJ-UHFFFAOYSA-N 0 0 385.423 5.007 50 0 GKAARN CC(C)(C)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2ccccc2)n1 ZINC000006052895 570229737 /nfs/dbraw/zinc/22/97/37/570229737.db2.gz MRXPWQWKXHPJOP-UHFFFAOYSA-N 0 0 377.532 5.325 50 0 GKAARN O=C(COc1ccccc1)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000019925451 570230023 /nfs/dbraw/zinc/23/00/23/570230023.db2.gz FCARYQVMKUNKHM-UHFFFAOYSA-N 0 0 394.430 5.666 50 0 GKAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1cccc2ccccc21 ZINC000022628000 570230021 /nfs/dbraw/zinc/23/00/21/570230021.db2.gz KXYXTLPFHGREKU-UHFFFAOYSA-N 0 0 385.492 5.343 50 0 GKAARN CCOC(=O)c1c2cc(OC(=O)C(C)(C)C)ccc2oc1-c1ccc(OC)cc1 ZINC000001463783 570230101 /nfs/dbraw/zinc/23/01/01/570230101.db2.gz LVEBJMHCHVDULG-UHFFFAOYSA-N 0 0 396.439 5.237 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1ccccc1Oc1ccccc1 ZINC000012814802 570230264 /nfs/dbraw/zinc/23/02/64/570230264.db2.gz GTXFHGPAQCHEHX-UHFFFAOYSA-N 0 0 397.478 5.842 50 0 GKAARN Cc1ccc(C)c(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)c1 ZINC000000948943 570231048 /nfs/dbraw/zinc/23/10/48/570231048.db2.gz LOHOBBKUORCXJW-UHFFFAOYSA-N 0 0 390.410 5.920 50 0 GKAARN Cc1ccc(C)c(N2CCN(c3nc4ccccc4c(-c4ccccc4)n3)CC2)c1 ZINC000048279988 570231165 /nfs/dbraw/zinc/23/11/65/570231165.db2.gz YLRYGMWZTVXVIY-UHFFFAOYSA-N 0 0 394.522 5.240 50 0 GKAARN Cc1nc2sccn2c1-c1csc(Nc2ccc(Br)cc2)n1 ZINC000000948685 570231174 /nfs/dbraw/zinc/23/11/74/570231174.db2.gz QCZIQVQGYSDYHN-UHFFFAOYSA-N 0 0 391.319 5.334 50 0 GKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc2ncccc21 ZINC000012816380 570231248 /nfs/dbraw/zinc/23/12/48/570231248.db2.gz UGAOXBODPCXZEZ-UHFFFAOYSA-N 0 0 381.229 5.304 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3C(C)C)n2)cc1 ZINC000000947003 570231217 /nfs/dbraw/zinc/23/12/17/570231217.db2.gz UMFSBXAVWNGXOU-UHFFFAOYSA-N 0 0 380.513 5.568 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccc(OC)c1 ZINC000000949307 570231241 /nfs/dbraw/zinc/23/12/41/570231241.db2.gz RHDHVIKIGXNSEU-UHFFFAOYSA-N 0 0 395.480 5.161 50 0 GKAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1Br ZINC000000958619 570231783 /nfs/dbraw/zinc/23/17/83/570231783.db2.gz KISQPRNROGEWFB-UHFFFAOYSA-N 0 0 382.257 5.134 50 0 GKAARN O=C(Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccco1 ZINC000000959469 570231848 /nfs/dbraw/zinc/23/18/48/570231848.db2.gz FJZNKDIAVXUYDI-UHFFFAOYSA-N 0 0 376.195 5.058 50 0 GKAARN COC(=O)c1cccc(Nc2ncnc3sc(C)c(-c4ccccc4)c32)c1 ZINC000000957814 570231894 /nfs/dbraw/zinc/23/18/94/570231894.db2.gz YMKYAOVPLMNFTQ-UHFFFAOYSA-N 0 0 375.453 5.197 50 0 GKAARN COc1ccccc1C(=O)Oc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000000970433 570232183 /nfs/dbraw/zinc/23/21/83/570232183.db2.gz QIWZDLHOCQYKBF-UHFFFAOYSA-N 0 0 375.449 5.500 50 0 GKAARN Cc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 ZINC000000970526 570232293 /nfs/dbraw/zinc/23/22/93/570232293.db2.gz WHSMHNUHSHLCHB-UHFFFAOYSA-N 0 0 396.537 5.501 50 0 GKAARN CC(=O)N(c1nc(COC(=O)c2ccccc2)cs1)c1c(C)cc(C)cc1C ZINC000006065585 570232749 /nfs/dbraw/zinc/23/27/49/570232749.db2.gz YFGQGDJQVYWXFL-UHFFFAOYSA-N 0 0 394.496 5.110 50 0 GKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1Cl ZINC000048311252 570233504 /nfs/dbraw/zinc/23/35/04/570233504.db2.gz QXCJJHHIQLESOD-UHFFFAOYSA-N 0 0 381.284 5.887 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccc(F)c1 ZINC000000990004 570233569 /nfs/dbraw/zinc/23/35/69/570233569.db2.gz YQSJCZYINNCJQG-UHFFFAOYSA-N 0 0 382.394 6.039 50 0 GKAARN COc1ccccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000990302 570233591 /nfs/dbraw/zinc/23/35/91/570233591.db2.gz NEOKJRRPASRSLX-UHFFFAOYSA-N 0 0 391.037 5.109 50 0 GKAARN Cc1cccc(C)c1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000990304 570233669 /nfs/dbraw/zinc/23/36/69/570233669.db2.gz GUEUGHTXABLXPN-UHFFFAOYSA-N 0 0 389.065 5.718 50 0 GKAARN O=C(NCC1CC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023308254 570233929 /nfs/dbraw/zinc/23/39/29/570233929.db2.gz RMJGJLVEEKGMMT-UHFFFAOYSA-N 0 0 386.282 5.190 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(C)cc23)cc1 ZINC000000993137 570234006 /nfs/dbraw/zinc/23/40/06/570234006.db2.gz XPAJGJVJXCRRAU-UHFFFAOYSA-N 0 0 382.463 5.780 50 0 GKAARN Cc1ccc(Cc2nc(CSc3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000023308330 570234137 /nfs/dbraw/zinc/23/41/37/570234137.db2.gz QCMFFLSVONDYGC-UHFFFAOYSA-N 0 0 379.472 6.353 50 0 GKAARN Cc1ccc2oc(CN(C(=O)c3ccc(F)cc3F)C3CCCCC3)nc2c1 ZINC000023309262 570234353 /nfs/dbraw/zinc/23/43/53/570234353.db2.gz 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CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000001182730 570255888 /nfs/dbraw/zinc/25/58/88/570255888.db2.gz QHVXVCIRPOGPPW-ASJRZHAZSA-N 0 0 388.920 5.086 50 0 GKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1Cl ZINC000001184145 570256204 /nfs/dbraw/zinc/25/62/04/570256204.db2.gz KOLVLXHFLLVWNO-UHFFFAOYSA-N 0 0 397.265 5.288 50 0 GKAARN COc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccccc2)cc1OC ZINC000001183807 570256212 /nfs/dbraw/zinc/25/62/12/570256212.db2.gz YJHNCWUFEUEGII-UHFFFAOYSA-N 0 0 392.524 5.103 50 0 GKAARN O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1)c1cccs1 ZINC000001185713 570256540 /nfs/dbraw/zinc/25/65/40/570256540.db2.gz YWXSOHWQTZZVDR-UHFFFAOYSA-N 0 0 391.279 5.560 50 0 GKAARN CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCC ZINC000001191536 570256915 /nfs/dbraw/zinc/25/69/15/570256915.db2.gz LKJHUSLHCYCJIN-UHFFFAOYSA-N 0 0 377.868 5.097 50 0 GKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1 ZINC000049004992 570257143 /nfs/dbraw/zinc/25/71/43/570257143.db2.gz SEZKNJLIMNTGSQ-GOSISDBHSA-N 0 0 392.478 5.226 50 0 GKAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1C ZINC000049005067 570257169 /nfs/dbraw/zinc/25/71/69/570257169.db2.gz WVNRZAIPFBTUDZ-SFHVURJKSA-N 0 0 388.515 5.395 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ncccc3Cl)c3ccccc3n2)s1 ZINC000001200323 570257161 /nfs/dbraw/zinc/25/71/61/570257161.db2.gz FAEMDDSOBXWUDD-UHFFFAOYSA-N 0 0 379.872 5.572 50 0 GKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1 ZINC000049005049 570257279 /nfs/dbraw/zinc/25/72/79/570257279.db2.gz VRBWWBUGLJFLQJ-LJQANCHMSA-N 0 0 388.515 5.395 50 0 GKAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(F)c1 ZINC000049004984 570257288 /nfs/dbraw/zinc/25/72/88/570257288.db2.gz JBQBJSGOIVZMGZ-GOSISDBHSA-N 0 0 392.478 5.226 50 0 GKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cc2ccccc2o1 ZINC000001204145 570257711 /nfs/dbraw/zinc/25/77/11/570257711.db2.gz BSGPPFDOLQRYBL-UHFFFAOYSA-N 0 0 388.810 6.147 50 0 GKAARN Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000001207484 570258127 /nfs/dbraw/zinc/25/81/27/570258127.db2.gz XPSXVBDGQDNCCX-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccc2ccccc21 ZINC000001207691 570258136 /nfs/dbraw/zinc/25/81/36/570258136.db2.gz WUDRHOZWTRGHKY-UHFFFAOYSA-N 0 0 380.403 5.606 50 0 GKAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)cc1)cc2Cl ZINC000001210183 570258146 /nfs/dbraw/zinc/25/81/46/570258146.db2.gz PAVAOVACSCGTAR-UHFFFAOYSA-N 0 0 398.267 5.051 50 0 GKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000001208424 570258164 /nfs/dbraw/zinc/25/81/64/570258164.db2.gz NNJJIEHWTGSSGW-UHFFFAOYSA-N 0 0 399.233 5.760 50 0 GKAARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 ZINC000001213515 570258502 /nfs/dbraw/zinc/25/85/02/570258502.db2.gz RURBVQFLRGZYHB-UHFFFAOYSA-N 0 0 375.815 5.309 50 0 GKAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1-c1ccccc1 ZINC000001215780 570258505 /nfs/dbraw/zinc/25/85/05/570258505.db2.gz PXHKSLPULZAZHF-UHFFFAOYSA-N 0 0 382.257 5.134 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1Cl ZINC000001218925 570258830 /nfs/dbraw/zinc/25/88/30/570258830.db2.gz MFCMXFSPVFHGQB-UHFFFAOYSA-N 0 0 379.468 5.662 50 0 GKAARN CCCC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000001216564 570258901 /nfs/dbraw/zinc/25/89/01/570258901.db2.gz WQVOLAPYMJOGMD-UHFFFAOYSA-N 0 0 395.684 5.093 50 0 GKAARN O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001218982 570258957 /nfs/dbraw/zinc/25/89/57/570258957.db2.gz UJBDCIJAWPILQL-UHFFFAOYSA-N 0 0 399.277 5.427 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001218160 570258965 /nfs/dbraw/zinc/25/89/65/570258965.db2.gz JMHXZGYCUATKFH-FQEVSTJZSA-N 0 0 383.900 5.821 50 0 GKAARN CCOC(=O)c1sc(=S)n(-c2cccc(C(F)(F)F)c2)c1SC ZINC000001401011 570261753 /nfs/dbraw/zinc/26/17/53/570261753.db2.gz KTBXFAWHEFTOIE-UHFFFAOYSA-N 0 0 379.450 5.186 50 0 GKAARN Cn1c(-c2ccccc2)cn2c(C(=O)c3ccccc3Cl)c3ccccc3c12 ZINC000001410404 570262035 /nfs/dbraw/zinc/26/20/35/570262035.db2.gz CPZLFOORWQUKIZ-UHFFFAOYSA-N 0 0 384.866 5.982 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(F)cc2C)n1 ZINC000049004774 570262090 /nfs/dbraw/zinc/26/20/90/570262090.db2.gz MYVFJPQGXUNRIV-UHFFFAOYSA-N 0 0 392.478 5.146 50 0 GKAARN CCc1ccccc1Nc1c(C(=O)N2CCCCCC2)cnc2nc(C)ccc21 ZINC000049004749 570262100 /nfs/dbraw/zinc/26/21/00/570262100.db2.gz JCAZDEWJGQRLRA-UHFFFAOYSA-N 0 0 388.515 5.260 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023320358 570262613 /nfs/dbraw/zinc/26/26/13/570262613.db2.gz ZTHFDMDCCMVWPY-OAQYLSRUSA-N 0 0 382.385 5.284 50 0 GKAARN O=C(Nc1cccc(F)c1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023320212 570262656 /nfs/dbraw/zinc/26/26/56/570262656.db2.gz WRNYMSQDMUCOAY-OAQYLSRUSA-N 0 0 380.850 5.659 50 0 GKAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]3CCC1 ZINC000001426098 570262800 /nfs/dbraw/zinc/26/28/00/570262800.db2.gz YDDGCPDNZBKTEQ-FQEVSTJZSA-N 0 0 399.321 5.790 50 0 GKAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)C1(C)C ZINC000001427353 570262825 /nfs/dbraw/zinc/26/28/25/570262825.db2.gz XTFNNCQVXAXZOU-JXFKEZNVSA-N 0 0 396.918 5.769 50 0 GKAARN C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001426103 570262848 /nfs/dbraw/zinc/26/28/48/570262848.db2.gz WWFJSUUCPLUAJJ-ZDUSSCGKSA-N 0 0 391.298 5.260 50 0 GKAARN O=C(Nc1ccc(Br)c(F)c1)C(c1ccccc1)c1ccccc1 ZINC000098073258 570263173 /nfs/dbraw/zinc/26/31/73/570263173.db2.gz HNRVMBDBCIUFNT-UHFFFAOYSA-N 0 0 384.248 5.359 50 0 GKAARN Cc1cccc2c(C(=O)OCC(C)C)cc(-c3ccc(Br)cc3)nc12 ZINC000002307735 570263265 /nfs/dbraw/zinc/26/32/65/570263265.db2.gz TZIXBXIAVRRHPJ-UHFFFAOYSA-N 0 0 398.300 5.786 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000001444044 570263509 /nfs/dbraw/zinc/26/35/09/570263509.db2.gz RKTGIZSIZTUPAI-UHFFFAOYSA-N 0 0 377.893 5.099 50 0 GKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC2CCCC2)cc1 ZINC000001447724 570263524 /nfs/dbraw/zinc/26/35/24/570263524.db2.gz GIQSDMLKOBDODV-UHFFFAOYSA-N 0 0 384.483 5.451 50 0 GKAARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc3ccccc3c2s1 ZINC000001514390 570264125 /nfs/dbraw/zinc/26/41/25/570264125.db2.gz CNZMUMSZZWBKTF-UHFFFAOYSA-N 0 0 384.460 5.864 50 0 GKAARN CCN1c2ccc(NC(=O)c3cc4ccccc4cc3OC)c3cccc(c23)C1=O ZINC000001514375 570264186 /nfs/dbraw/zinc/26/41/86/570264186.db2.gz UJFASHIAUVMQFS-UHFFFAOYSA-N 0 0 396.446 5.234 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(C)cc4)cccc23)cc1 ZINC000001509039 570264301 /nfs/dbraw/zinc/26/43/01/570264301.db2.gz QGRCNNYKTBIRBF-UHFFFAOYSA-N 0 0 394.474 5.961 50 0 GKAARN CC(C)c1ccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN23)cc1 ZINC000085988086 570264563 /nfs/dbraw/zinc/26/45/63/570264563.db2.gz BEYDGXPDUFCZIB-VQTJNVASSA-N 0 0 389.326 5.627 50 0 GKAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000085988312 570264785 /nfs/dbraw/zinc/26/47/85/570264785.db2.gz QLAZQMLTVLXPHC-DLBZAZTESA-N 0 0 381.690 5.157 50 0 GKAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2oc3ccccc3c2c1 ZINC000012850628 570265835 /nfs/dbraw/zinc/26/58/35/570265835.db2.gz MGLWVQWHOWFVDI-HXUWFJFHSA-N 0 0 388.448 5.028 50 0 GKAARN O=C(Nc1ccccc1OC(F)F)c1sc2cccc(Cl)c2c1Cl ZINC000012849838 570265894 /nfs/dbraw/zinc/26/58/94/570265894.db2.gz XEPBKZKTHBNGDL-UHFFFAOYSA-N 0 0 388.222 6.062 50 0 GKAARN COc1ccc(Cl)cc1NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000012850314 570265963 /nfs/dbraw/zinc/26/59/63/570265963.db2.gz PEURVVAJBBNLPF-UHFFFAOYSA-N 0 0 382.847 5.192 50 0 GKAARN COc1ccccc1NC(=O)Oc1ccc(-c2ccccc2)cc1Br ZINC000001640176 570266472 /nfs/dbraw/zinc/26/64/72/570266472.db2.gz YTEZUGJXLSWMCF-UHFFFAOYSA-N 0 0 398.256 5.736 50 0 GKAARN Cc1ccc(Cc2ccc(CCc3ccc(Cc4ccc(C)cc4)cc3)cc2)cc1 ZINC000001670095 570266899 /nfs/dbraw/zinc/26/68/99/570266899.db2.gz XQTBAZPCJMCIHJ-UHFFFAOYSA-N 0 0 390.570 7.270 50 0 GKAARN O=C(CSc1nccn1C1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000015825357 570267443 /nfs/dbraw/zinc/26/74/43/570267443.db2.gz OIQDCCCADGFYRU-UHFFFAOYSA-N 0 0 383.439 5.138 50 0 GKAARN Cc1ccccc1-c1nc2cc(NC(=O)c3cccc(Cl)c3Cl)ccc2o1 ZINC000001517880 570267476 /nfs/dbraw/zinc/26/74/76/570267476.db2.gz FYIXFVLPAWHEAC-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cccc(Cl)c1Cl ZINC000012857366 570267501 /nfs/dbraw/zinc/26/75/01/570267501.db2.gz YUEIAWPTZUDYHZ-UHFFFAOYSA-N 0 0 389.286 5.449 50 0 GKAARN O=C(Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1)c1ccc(F)cc1 ZINC000001748324 570267799 /nfs/dbraw/zinc/26/77/99/570267799.db2.gz GOIWRVPHTQFCGV-UHFFFAOYSA-N 0 0 394.785 5.472 50 0 biogenic GKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001517926 570267983 /nfs/dbraw/zinc/26/79/83/570267983.db2.gz KRYWMPHGGHFIBH-UHFFFAOYSA-N 0 0 385.850 6.424 50 0 GKAARN O=c1c2ccc(OCCc3ccccc3)cc2occ1-c1ccccc1Cl ZINC000001770839 570268126 /nfs/dbraw/zinc/26/81/26/570268126.db2.gz UKDGUQKCBBHSBO-UHFFFAOYSA-N 0 0 376.839 5.735 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001770749 570268149 /nfs/dbraw/zinc/26/81/49/570268149.db2.gz SFPPOTHOVMCBAL-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN CCCCOc1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000001787828 570268368 /nfs/dbraw/zinc/26/83/68/570268368.db2.gz KKTLWDYMROGSOT-UHFFFAOYSA-N 0 0 384.863 5.735 50 0 GKAARN COc1ccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001778330 570268396 /nfs/dbraw/zinc/26/83/96/570268396.db2.gz HMMHDAXHWWIQIZ-UHFFFAOYSA-N 0 0 387.785 5.165 50 0 GKAARN Fc1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 ZINC000001781948 570268484 /nfs/dbraw/zinc/26/84/84/570268484.db2.gz XOJDFIYTKWATEX-UHFFFAOYSA-N 0 0 379.416 5.012 50 0 GKAARN CC1=C(C)C[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100207259 570268619 /nfs/dbraw/zinc/26/86/19/570268619.db2.gz LJWUFDXBABOATK-WOJBJXKFSA-N 0 0 381.859 5.368 50 0 GKAARN C[C@H]1C[C@@H](N(C(=O)c2ccccc2Cl)c2ccccc2)c2ccccc2N1 ZINC000001795148 570268666 /nfs/dbraw/zinc/26/86/66/570268666.db2.gz YVVXFSUFBIJTJU-KSFYIVLOSA-N 0 0 376.887 5.932 50 0 GKAARN Cn1c(=O)c2c(nc1SCc1ccccc1)-c1ccccc1CC21CCCC1 ZINC000001796217 570268731 /nfs/dbraw/zinc/26/87/31/570268731.db2.gz MBACDPDALIBSLD-UHFFFAOYSA-N 0 0 388.536 5.108 50 0 biogenic GKAARN Cc1cc(OCc2c(F)cccc2Cl)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797553 570268762 /nfs/dbraw/zinc/26/87/62/570268762.db2.gz CXTBFWUZAPWHRV-UHFFFAOYSA-N 0 0 394.829 6.140 50 0 GKAARN CCCC[C@@H](CC)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020582167 570268842 /nfs/dbraw/zinc/26/88/42/570268842.db2.gz KQRCQSONZBYKIA-OAQYLSRUSA-N 0 0 378.560 5.137 50 0 GKAARN CSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000001816687 570268987 /nfs/dbraw/zinc/26/89/87/570268987.db2.gz SANCMSOECGXLPY-UHFFFAOYSA-N 0 0 380.557 5.505 50 0 biogenic GKAARN Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c3c(c(=O)oc12)CCCC3 ZINC000001808405 570269006 /nfs/dbraw/zinc/26/90/06/570269006.db2.gz RUELZQYRKVCOTG-UHFFFAOYSA-N 0 0 389.278 5.866 50 0 GKAARN O=c1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c2c1CCCC2 ZINC000001808408 570269054 /nfs/dbraw/zinc/26/90/54/570269054.db2.gz ZHVDQMAMILGYOY-UHFFFAOYSA-N 0 0 375.251 5.558 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000012865857 570269055 /nfs/dbraw/zinc/26/90/55/570269055.db2.gz XXMSAPDIAQOSJH-UHFFFAOYSA-N 0 0 383.517 5.616 50 0 GKAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1-c1ccc(Cl)cc1 ZINC000001826772 570269248 /nfs/dbraw/zinc/26/92/48/570269248.db2.gz PUXHFDJBDBLGRK-UHFFFAOYSA-N 0 0 396.874 5.471 50 0 GKAARN Cc1ccccc1-c1nc2scc(-c3ccc(Br)cc3)c2c(=O)o1 ZINC000001830543 570269251 /nfs/dbraw/zinc/26/92/51/570269251.db2.gz ZNZKILOZUSIZMO-UHFFFAOYSA-N 0 0 398.281 5.654 50 0 GKAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3SC(F)F)s2)cs1 ZINC000012866300 570269293 /nfs/dbraw/zinc/26/92/93/570269293.db2.gz LOYFWPXIRMLACT-UHFFFAOYSA-N 0 0 396.509 5.425 50 0 GKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C)cc4C)ccc3Cl)nc2c1 ZINC000001837769 570269347 /nfs/dbraw/zinc/26/93/47/570269347.db2.gz GCZJHOYDUAAIPV-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1cccc(OCc2csc(C)n2)c1 ZINC000012866417 570269485 /nfs/dbraw/zinc/26/94/85/570269485.db2.gz CPICEPCIXGYFNT-UHFFFAOYSA-N 0 0 380.513 5.408 50 0 GKAARN O=C(c1ccccc1)[C@H](Sc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000001862589 570269608 /nfs/dbraw/zinc/26/96/08/570269608.db2.gz WGLIADXLCOMFED-HXUWFJFHSA-N 0 0 379.868 6.198 50 0 GKAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000001849143 570269735 /nfs/dbraw/zinc/26/97/35/570269735.db2.gz DCFAAWUAGIPOSW-UHFFFAOYSA-N 0 0 385.246 5.700 50 0 GKAARN CCCOc1ccc(-c2csc3ncn(Cc4ccccc4F)c(=O)c23)cc1 ZINC000001912007 570270181 /nfs/dbraw/zinc/27/01/81/570270181.db2.gz WPBJCVCRMXAUAD-UHFFFAOYSA-N 0 0 394.471 5.101 50 0 GKAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccccc1 ZINC000001911877 570270199 /nfs/dbraw/zinc/27/01/99/570270199.db2.gz LGZBKTIWONCBKM-UHFFFAOYSA-N 0 0 396.924 5.987 50 0 GKAARN CCCCCC[C@H](C)Nc1cccc2c(N[C@@H](C)CCCCCC)cccc12 ZINC000004759797 570270320 /nfs/dbraw/zinc/27/03/20/570270320.db2.gz IHBDCHNRDUFLIV-VXKWHMMOSA-N 0 0 382.636 8.381 50 0 GKAARN c1ccc(C(Nc2ccc3ccccc3c2)(c2ccccc2)c2ccccc2)cc1 ZINC000004772971 570270344 /nfs/dbraw/zinc/27/03/44/570270344.db2.gz UQUGSUJBNLZXCL-UHFFFAOYSA-N 0 0 385.510 7.244 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(C)cc1 ZINC000001937460 570270431 /nfs/dbraw/zinc/27/04/31/570270431.db2.gz RTXDKBJBVFFAOT-BUHFOSPRSA-N 0 0 391.492 5.552 50 0 GKAARN CCCCc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1 ZINC000004542606 570270426 /nfs/dbraw/zinc/27/04/26/570270426.db2.gz DETBDJPHYDBDHL-UHFFFAOYSA-N 0 0 388.330 6.259 50 0 GKAARN O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000004542917 570270493 /nfs/dbraw/zinc/27/04/93/570270493.db2.gz FGFNANAPSVEFME-UHFFFAOYSA-N 0 0 399.488 5.971 50 0 GKAARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(Cl)cc1Cl ZINC000004542951 570270511 /nfs/dbraw/zinc/27/05/11/570270511.db2.gz MSNDRYQVXQNZIM-JXMROGBWSA-N 0 0 392.669 6.559 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020603624 570270596 /nfs/dbraw/zinc/27/05/96/570270596.db2.gz RMVUAFCQWSJAFP-UHFFFAOYSA-N 0 0 395.428 6.596 50 0 GKAARN CC[C@H](C)n1c2nc(-c3ccc(C)s3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604036 570270603 /nfs/dbraw/zinc/27/06/03/570270603.db2.gz DMJDCBUAKABXHB-QMMMGPOBSA-N 0 0 399.463 5.481 50 0 GKAARN CC(C)n1c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603946 570270642 /nfs/dbraw/zinc/27/06/42/570270642.db2.gz HRTLLXUQCUZJFJ-UHFFFAOYSA-N 0 0 381.835 5.293 50 0 GKAARN CC1(C)c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)S1(=O)=O ZINC000001721962 570270636 /nfs/dbraw/zinc/27/06/36/570270636.db2.gz RJLBMXKMGWZESF-UHFFFAOYSA-N 0 0 384.500 6.196 50 0 GKAARN Cc1cc(Br)cc(C)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000002167794 570270684 /nfs/dbraw/zinc/27/06/84/570270684.db2.gz HRVVFNSMNSXHAB-UHFFFAOYSA-N 0 0 387.199 5.729 50 0 GKAARN CC[C@@H](C)n1c2nc(-c3ccc(C)s3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604033 570270690 /nfs/dbraw/zinc/27/06/90/570270690.db2.gz DMJDCBUAKABXHB-MRVPVSSYSA-N 0 0 399.463 5.481 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000020602832 570270697 /nfs/dbraw/zinc/27/06/97/570270697.db2.gz IUYPNVUNOSWMMB-UHFFFAOYSA-N 0 0 379.410 5.651 50 0 GKAARN C/C=C(\C)C(=O)Nc1ccc(-c2cccc(-c3cc(OC)ccc3OC)n2)cc1 ZINC000023322094 570270688 /nfs/dbraw/zinc/27/06/88/570270688.db2.gz GPTJNGUZQMKPLM-FZSIALSZSA-N 0 0 388.467 5.338 50 0 GKAARN COc1ccc(C)cc1NC(=O)OCCOc1ccc(-c2ccccc2)cc1 ZINC000002141399 570270766 /nfs/dbraw/zinc/27/07/66/570270766.db2.gz YKIHSICUEXXCDM-UHFFFAOYSA-N 0 0 377.440 5.298 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002167889 570270819 /nfs/dbraw/zinc/27/08/19/570270819.db2.gz FZEOTHWLZYTDBY-UHFFFAOYSA-N 0 0 383.584 6.310 50 0 GKAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000001948536 570270831 /nfs/dbraw/zinc/27/08/31/570270831.db2.gz SZADYSWNTQICSH-HNNXBMFYSA-N 0 0 385.529 5.246 50 0 GKAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002142469 570270835 /nfs/dbraw/zinc/27/08/35/570270835.db2.gz NWNFQAAVJUVMDC-UHFFFAOYSA-N 0 0 378.177 5.338 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000020605413 570270932 /nfs/dbraw/zinc/27/09/32/570270932.db2.gz ZKLKMVMYLDLJLO-UHFFFAOYSA-N 0 0 381.401 5.782 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000020604618 570270938 /nfs/dbraw/zinc/27/09/38/570270938.db2.gz KFAXLDVIRVDNES-UHFFFAOYSA-N 0 0 385.364 5.613 50 0 GKAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2onc(-c3ccccc3)c21 ZINC000020605867 570271276 /nfs/dbraw/zinc/27/12/76/570271276.db2.gz OQEGUJCERYXHMZ-UHFFFAOYSA-N 0 0 399.233 5.650 50 0 GKAARN O=c1oc2cc(OCc3cccc(Br)c3)ccc2c2c1CCCC2 ZINC000001972611 570271406 /nfs/dbraw/zinc/27/14/06/570271406.db2.gz CVJNHAUENYUQNA-UHFFFAOYSA-N 0 0 385.257 5.013 50 0 GKAARN CCOC(=O)/C1=C(\OP(=O)(OCC)OCC)CCCCCCCCCC1 ZINC000043198969 570271410 /nfs/dbraw/zinc/27/14/10/570271410.db2.gz IFLXTIIHBHOBSN-ZCXUNETKSA-N 0 0 390.457 5.916 50 0 GKAARN Cc1c2c(c(Br)c3c1OC1(CCCCC1)O3)OC1(CCCCC1)O2 ZINC000043199247 570271412 /nfs/dbraw/zinc/27/14/12/570271412.db2.gz BFWAKAUCRDBLCR-UHFFFAOYSA-N 0 0 395.293 5.621 50 0 GKAARN COc1cccc(/C=C\c2ccc3ccc(/C=C\c4cccc(OC)c4)cc3c2)c1 ZINC000043763769 570271705 /nfs/dbraw/zinc/27/17/05/570271705.db2.gz 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/nfs/dbraw/zinc/27/32/17/570273217.db2.gz OPOMHNVPJVDWRP-UHFFFAOYSA-N 0 0 397.400 5.869 50 0 GKAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 ZINC000002070441 570273367 /nfs/dbraw/zinc/27/33/67/570273367.db2.gz CORQFRWSWZKYCN-LBPRGKRZSA-N 0 0 391.920 5.344 50 0 GKAARN O=C(c1ccccc1)c1ccc(/C=C/c2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000002077589 570273500 /nfs/dbraw/zinc/27/35/00/570273500.db2.gz KYCXUAOJPCSXKB-VAWYXSNFSA-N 0 0 388.466 6.319 50 0 GKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1ccccc1F ZINC000002079124 570273607 /nfs/dbraw/zinc/27/36/07/570273607.db2.gz DIHYMWSONIBICB-UHFFFAOYSA-N 0 0 376.214 6.177 50 0 GKAARN COCCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc21 ZINC000002079747 570273633 /nfs/dbraw/zinc/27/36/33/570273633.db2.gz VVSRZZRVQOVUEG-UHFFFAOYSA-N 0 0 396.918 5.247 50 0 GKAARN CC[C@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)c1ccccc1 ZINC000002079107 570273698 /nfs/dbraw/zinc/27/36/98/570273698.db2.gz KDMHUCOAMXZOTE-DEOSSOPVSA-N 0 0 395.458 5.720 50 0 GKAARN 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/nfs/dbraw/zinc/27/39/78/570273978.db2.gz PUFFNWACWBVUAY-HMMYKYKNSA-N 0 0 391.467 5.034 50 0 GKAARN FC(F)(F)c1cccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)c1 ZINC000071889972 570273980 /nfs/dbraw/zinc/27/39/80/570273980.db2.gz VOGJMJYCOQOBQJ-UHFFFAOYSA-N 0 0 394.437 5.308 50 0 GKAARN CCCC[C@@H](CC)CNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000002083619 570274010 /nfs/dbraw/zinc/27/40/10/570274010.db2.gz KJJLHKZILDKFFD-QGZVFWFLSA-N 0 0 380.557 6.218 50 0 GKAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000100648090 570274256 /nfs/dbraw/zinc/27/42/56/570274256.db2.gz KEIGXFCCOVMGHT-HZPDHXFCSA-N 0 0 388.250 5.241 50 0 GKAARN Cc1cccc(NC(=O)[C@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)c1 ZINC000012875192 570274477 /nfs/dbraw/zinc/27/44/77/570274477.db2.gz YPUQEOGHQSXIDH-AWEZNQCLSA-N 0 0 386.904 5.564 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc2c1CCCCCC2 ZINC000002095421 570274547 /nfs/dbraw/zinc/27/45/47/570274547.db2.gz XONJQMHJATUBTM-UHFFFAOYSA-N 0 0 399.556 5.960 50 0 GKAARN CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000002093836 570274561 /nfs/dbraw/zinc/27/45/61/570274561.db2.gz XZXNMYCOCDFBCZ-UHFFFAOYSA-N 0 0 395.930 6.411 50 0 GKAARN O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccc(Cl)c(Cl)c1 ZINC000002114661 570275307 /nfs/dbraw/zinc/27/53/07/570275307.db2.gz XVGWHRNFCOKESI-FNORWQNLSA-N 0 0 375.082 5.630 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002115059 570275325 /nfs/dbraw/zinc/27/53/25/570275325.db2.gz NOYGQZDIPVWKRB-HSZRJFAPSA-N 0 0 375.537 6.591 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002135450 570275609 /nfs/dbraw/zinc/27/56/09/570275609.db2.gz FRDYJPFGBWLMGM-UHFFFAOYSA-N 0 0 381.328 5.418 50 0 GKAARN O[C@H](Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(Cl)(Cl)Cl ZINC000002141218 570275756 /nfs/dbraw/zinc/27/57/56/570275756.db2.gz VCZROYMBUHFPJY-HNNXBMFYSA-N 0 0 399.730 5.578 50 0 GKAARN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000002138664 570275873 /nfs/dbraw/zinc/27/58/73/570275873.db2.gz 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/nfs/dbraw/zinc/27/66/08/570276608.db2.gz YOCSNHRJFCUGEU-VSGBNLITSA-N 0 0 394.514 5.475 50 0 GKAARN Cc1ccc(-c2csc3nc(-c4ccc(Br)cc4)oc(=O)c23)cc1 ZINC000002157569 570276634 /nfs/dbraw/zinc/27/66/34/570276634.db2.gz SYXGLMRTPXXJQT-UHFFFAOYSA-N 0 0 398.281 5.654 50 0 GKAARN CN(C)c1ccccc1[C@H](c1ccc(Cl)cc1)[C@]1(C)OC(=O)c2ccccc21 ZINC000002166132 570276653 /nfs/dbraw/zinc/27/66/53/570276653.db2.gz LBAQYUWVKQQMEZ-LADGPHEKSA-N 0 0 391.898 5.624 50 0 GKAARN CCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C(=O)OCC)cc23)cc1 ZINC000005808122 570276812 /nfs/dbraw/zinc/27/68/12/570276812.db2.gz MXVLYCUCZMRAOU-UHFFFAOYSA-N 0 0 392.455 5.030 50 0 GKAARN O=C(Nc1cccc(Cl)c1Cl)OCCOc1ccc(Cl)cc1Cl ZINC000002171702 570276900 /nfs/dbraw/zinc/27/69/00/570276900.db2.gz JTZRWIAEEYJLPE-UHFFFAOYSA-N 0 0 395.069 5.928 50 0 GKAARN O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000002170568 570276932 /nfs/dbraw/zinc/27/69/32/570276932.db2.gz INFVLQCWOQFEFG-LJQANCHMSA-N 0 0 398.915 5.176 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc(Cl)c1Cl ZINC000002167873 570277039 /nfs/dbraw/zinc/27/70/39/570277039.db2.gz RMNCASSNCRTMFW-UHFFFAOYSA-N 0 0 383.584 6.310 50 0 GKAARN CCOc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c2ccccc12 ZINC000002178865 570277195 /nfs/dbraw/zinc/27/71/95/570277195.db2.gz XRPJSJYQJSIWSQ-RUZDIDTESA-N 0 0 383.495 6.000 50 0 GKAARN COC[C@H](C)N(C(=O)COc1ccc(Cl)cc1Cl)c1c(C)cccc1C ZINC000002178956 570277311 /nfs/dbraw/zinc/27/73/11/570277311.db2.gz ICWARXDMSLNCMC-HNNXBMFYSA-N 0 0 396.314 5.057 50 0 GKAARN Clc1scc(Br)c1-c1c(Cl)scc1Br ZINC000002172859 570277364 /nfs/dbraw/zinc/27/73/64/570277364.db2.gz NWHWPWNFHYIMNW-UHFFFAOYSA-N 0 0 392.952 6.308 50 0 GKAARN FC(F)(F)c1cccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn32)c1 ZINC000002182939 570277458 /nfs/dbraw/zinc/27/74/58/570277458.db2.gz HUFXZCSFGKVXIQ-UHFFFAOYSA-N 0 0 394.809 5.116 50 0 GKAARN CC1(C)CC[C@H]2N1OC(c1ccccc1)(c1ccccc1)C(=O)N2c1ccccc1 ZINC000000626932 570277566 /nfs/dbraw/zinc/27/75/66/570277566.db2.gz OYQZUQWNGXPANM-HSZRJFAPSA-N 0 0 398.506 5.109 50 0 GKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccccc3OC)sc1C(C)(C)N2 ZINC000002183189 570277595 /nfs/dbraw/zinc/27/75/95/570277595.db2.gz KDZHXUFBLDZWMI-UHFFFAOYSA-N 0 0 398.553 6.003 50 0 GKAARN O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000002184250 570277752 /nfs/dbraw/zinc/27/77/52/570277752.db2.gz AWPNDXJTHRPWPN-ZHACJKMWSA-N 0 0 399.877 7.023 50 0 GKAARN Cc1cc(C)c2c(c1)-c1c(=S)n(-c3ccc(Cl)cc3)sc1C(C)(C)N2 ZINC000002185904 570277768 /nfs/dbraw/zinc/27/77/68/570277768.db2.gz VTRDAOHSGXNRLZ-UHFFFAOYSA-N 0 0 386.973 6.866 50 0 GKAARN CCOC1=C([C@H](c2ccccc2)c2ccc(Cl)cc2)c2cccc3cccc1c23 ZINC000002184574 570277782 /nfs/dbraw/zinc/27/77/82/570277782.db2.gz QDRQSWRAGVHKII-XMMPIXPASA-N 0 0 396.917 7.544 50 0 GKAARN COC(=O)c1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 ZINC000002186660 570277849 /nfs/dbraw/zinc/27/78/49/570277849.db2.gz UCBASUNMZDJKHP-UHFFFAOYSA-N 0 0 386.495 5.115 50 0 GKAARN O=C(c1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000002184670 570277861 /nfs/dbraw/zinc/27/78/61/570277861.db2.gz DKEVMTGMXHQXDT-UHFFFAOYSA-N 0 0 390.895 6.438 50 0 GKAARN CC(C)(C)c1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc(C(C)(C)C)c1 ZINC000002183357 570277880 /nfs/dbraw/zinc/27/78/80/570277880.db2.gz BIJMPEDUQKIZAN-XMMPIXPASA-N 0 0 391.599 6.943 50 0 GKAARN Cc1ccc(C(C)(C)C)cc1SC[C@H](O)COCc1ccc(Cl)cc1 ZINC000006584660 570278075 /nfs/dbraw/zinc/27/80/75/570278075.db2.gz WFWJZTJLBFVRMO-LJQANCHMSA-N 0 0 378.965 5.616 50 0 GKAARN CCOc1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 ZINC000002186883 570278117 /nfs/dbraw/zinc/27/81/17/570278117.db2.gz RQSPTOZLKQKEOQ-UHFFFAOYSA-N 0 0 377.534 6.577 50 0 GKAARN O=C(Sc1cccc(Cl)c1)c1cccnc1Sc1cccc(Cl)c1 ZINC000002187440 570278119 /nfs/dbraw/zinc/27/81/19/570278119.db2.gz COPXWHXWSITLFQ-UHFFFAOYSA-N 0 0 392.332 6.472 50 0 GKAARN CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000002188729 570278121 /nfs/dbraw/zinc/27/81/21/570278121.db2.gz YFHTUDBEWPLVCV-AREMUKBSSA-N 0 0 398.550 6.924 50 0 GKAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(C)c1 ZINC000035262647 570278223 /nfs/dbraw/zinc/27/82/23/570278223.db2.gz FXNGTAHBGRRVNB-OAQYLSRUSA-N 0 0 382.554 5.013 50 0 GKAARN O=C(Nc1ccccc1)O[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000002193192 570278486 /nfs/dbraw/zinc/27/84/86/570278486.db2.gz FRUZYZZJDYXFNN-SFHVURJKSA-N 0 0 381.884 6.337 50 0 GKAARN CC(C)OCCCN(Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 ZINC000002199375 570278782 /nfs/dbraw/zinc/27/87/82/570278782.db2.gz KAYUKJUEHKWTAC-UHFFFAOYSA-N 0 0 378.875 5.328 50 0 GKAARN CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)c1 ZINC000002199153 570278805 /nfs/dbraw/zinc/27/88/05/570278805.db2.gz DJNYDTZOPJREMX-UHFFFAOYSA-N 0 0 386.452 5.167 50 0 GKAARN CCOc1ccc(-n2sc3c(c2=S)-c2ccc(OC)cc2NC3(C)C)cc1 ZINC000002197149 570278839 /nfs/dbraw/zinc/27/88/39/570278839.db2.gz GHKXHNMOESPBHU-UHFFFAOYSA-N 0 0 398.553 6.003 50 0 GKAARN Clc1cc(Br)ccc1OCc1csc(-c2ccccn2)n1 ZINC000012262409 570279413 /nfs/dbraw/zinc/27/94/13/570279413.db2.gz JJEMYLVPQIAHPC-UHFFFAOYSA-N 0 0 381.682 5.200 50 0 GKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3cccc4ccccc43)sc1C(C)(C)N2 ZINC000002217339 570279452 /nfs/dbraw/zinc/27/94/52/570279452.db2.gz LXYWEIHSRMEBEY-UHFFFAOYSA-N 0 0 388.561 7.058 50 0 GKAARN CSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002230024 570279708 /nfs/dbraw/zinc/27/97/08/570279708.db2.gz SSNGPULLBDDFOF-UHFFFAOYSA-N 0 0 394.584 5.580 50 0 biogenic GKAARN Fc1ccccc1-c1nc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000002238478 570280165 /nfs/dbraw/zinc/28/01/65/570280165.db2.gz FEJCRMNYUPJMFX-UHFFFAOYSA-N 0 0 383.348 6.198 50 0 GKAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc3C(=O)O2)cc1 ZINC000012274572 570280200 /nfs/dbraw/zinc/28/02/00/570280200.db2.gz MXJXWWFBXHUBED-QHCPKHFHSA-N 0 0 385.463 5.318 50 0 GKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)CCC1CCCC1 ZINC000022637981 570280394 /nfs/dbraw/zinc/28/03/94/570280394.db2.gz AKHTZCDXCQXSKH-UHFFFAOYSA-N 0 0 385.529 5.425 50 0 GKAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc3C(=O)O2)cc1 ZINC000012274573 570280372 /nfs/dbraw/zinc/28/03/72/570280372.db2.gz MXJXWWFBXHUBED-HSZRJFAPSA-N 0 0 385.463 5.318 50 0 GKAARN CSc1ccc(CNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1 ZINC000015865739 570280521 /nfs/dbraw/zinc/28/05/21/570280521.db2.gz SDLCDYGIXDGKBB-UHFFFAOYSA-N 0 0 382.872 5.286 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc1C ZINC000000649476 570280651 /nfs/dbraw/zinc/28/06/51/570280651.db2.gz FEXDZMFPTKTCRW-UHFFFAOYSA-N 0 0 380.491 5.791 50 0 GKAARN O=C1[C@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=O)N1c1cccc2ccccc21 ZINC000002269760 570280734 /nfs/dbraw/zinc/28/07/34/570280734.db2.gz TWNDHDRDQQNORO-UYAOXDASSA-N 0 0 394.883 5.076 50 0 GKAARN Clc1ccc(COc2nc(-c3ccccc3)nc3c4ccccc4oc32)cc1 ZINC000015866575 570280777 /nfs/dbraw/zinc/28/07/77/570280777.db2.gz HMCCQVDRWIBNMC-UHFFFAOYSA-N 0 0 386.838 6.275 50 0 GKAARN Cc1ccc(-c2nc(C(=O)NCc3ccco3)cc3c4ccccc4[nH]c32)cc1 ZINC000006173665 570281101 /nfs/dbraw/zinc/28/11/01/570281101.db2.gz PFSNQZWRVYLNNL-UHFFFAOYSA-N 0 0 381.435 5.215 50 0 biogenic GKAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3C)C2=O)c(C)c1 ZINC000006706698 570281332 /nfs/dbraw/zinc/28/13/32/570281332.db2.gz RPQHYHSWNHFCBG-JCMHNJIXSA-N 0 0 396.490 5.560 50 0 GKAARN COc1ccc(-c2nnc(Nc3ccc4c(c3)nc(C)n4C)c3ccccc32)cc1 ZINC000002291265 570281355 /nfs/dbraw/zinc/28/13/55/570281355.db2.gz RPSDHBSVMWWSAN-UHFFFAOYSA-N 0 0 395.466 5.244 50 0 GKAARN C[C@H](c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1)c1ccccc1 ZINC000002301580 570281577 /nfs/dbraw/zinc/28/15/77/570281577.db2.gz QVFMPPPLVLDRDP-JTQLQIEISA-N 0 0 393.299 5.641 50 0 GKAARN CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 ZINC000020808366 570281754 /nfs/dbraw/zinc/28/17/54/570281754.db2.gz RFJYVXNGXYGVRB-UHFFFAOYSA-N 0 0 376.843 5.963 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccccc2)n1 ZINC000006178707 570282105 /nfs/dbraw/zinc/28/21/05/570282105.db2.gz PGMIUUAEEDRQFS-HUUCEWRRSA-N 0 0 380.517 5.105 50 0 GKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000002311881 570282202 /nfs/dbraw/zinc/28/22/02/570282202.db2.gz UROUMQPAZXHIPK-HRAATJIYSA-N 0 0 376.887 5.932 50 0 GKAARN O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002310687 570282274 /nfs/dbraw/zinc/28/22/74/570282274.db2.gz TZLSWHDAXUKAPK-UHFFFAOYSA-N 0 0 378.815 5.166 50 0 GKAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)c1ccc(Cl)cc1 ZINC000020852010 570282291 /nfs/dbraw/zinc/28/22/91/570282291.db2.gz HUVMOVQBDRBKLW-UHFFFAOYSA-N 0 0 378.931 5.292 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000020851393 570282347 /nfs/dbraw/zinc/28/23/47/570282347.db2.gz WXBWPIAGSHCOIM-INIZCTEOSA-N 0 0 382.257 5.085 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(C)ccc4s3)cc2)cc1 ZINC000002319652 570282583 /nfs/dbraw/zinc/28/25/83/570282583.db2.gz XWENEPDJTRWHNE-UHFFFAOYSA-N 0 0 394.521 5.381 50 0 GKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccccc1F ZINC000015880501 570282794 /nfs/dbraw/zinc/28/27/94/570282794.db2.gz SCMHYVNPZFPELS-UHFFFAOYSA-N 0 0 375.399 5.712 50 0 GKAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)c2O1 ZINC000015881137 570282819 /nfs/dbraw/zinc/28/28/19/570282819.db2.gz DHFOMEOBBNKVHX-UHFFFAOYSA-N 0 0 391.442 5.371 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 ZINC000002331881 570282897 /nfs/dbraw/zinc/28/28/97/570282897.db2.gz XNZKOXGHYAESKR-MRXNPFEDSA-N 0 0 394.544 5.035 50 0 GKAARN CC(C)(C)c1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn32)cc1 ZINC000002329229 570282925 /nfs/dbraw/zinc/28/29/25/570282925.db2.gz WRQZDZJSGYTELJ-UHFFFAOYSA-N 0 0 398.919 5.383 50 0 GKAARN O=C(Nc1sccc1-c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000010694782 570282992 /nfs/dbraw/zinc/28/29/92/570282992.db2.gz QZWOPCHVSOCMJJ-UHFFFAOYSA-N 0 0 393.518 5.887 50 0 GKAARN CC[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccc(C)cc1 ZINC000012881844 570283164 /nfs/dbraw/zinc/28/31/64/570283164.db2.gz LYPYBHQHBQPCHA-HXUWFJFHSA-N 0 0 382.554 5.625 50 0 GKAARN CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000002338022 570283220 /nfs/dbraw/zinc/28/32/20/570283220.db2.gz NUXMMPMKVGHFBM-UHFFFAOYSA-N 0 0 382.489 5.336 50 0 GKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002340365 570283229 /nfs/dbraw/zinc/28/32/29/570283229.db2.gz VDYMRBJAHHHLIJ-UHFFFAOYSA-N 0 0 378.475 5.443 50 0 GKAARN Cc1c2ccccc2oc1-c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000002339546 570283264 /nfs/dbraw/zinc/28/32/64/570283264.db2.gz DNPASEAHYYBGBU-UHFFFAOYSA-N 0 0 393.450 5.645 50 0 GKAARN c1csc(-c2[nH]c(-c3cccc(Oc4ccccc4)c3)nc2-c2ccccc2)c1 ZINC000002343892 570283500 /nfs/dbraw/zinc/28/35/00/570283500.db2.gz KOJAWJKERPFKES-UHFFFAOYSA-N 0 0 394.499 7.265 50 0 GKAARN CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccco1 ZINC000002347862 570283531 /nfs/dbraw/zinc/28/35/31/570283531.db2.gz DAZDPMLXSMQZLJ-QFIPXVFZSA-N 0 0 391.511 5.443 50 0 GKAARN C=C1C(Nc2c(C)cc(C)cc2C)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006780407 570283806 /nfs/dbraw/zinc/28/38/06/570283806.db2.gz BHQPQPIDEFEMKV-UHFFFAOYSA-N 0 0 382.529 5.320 50 0 GKAARN Cc1ccc([C@@H](NC(=O)[C@H](c2ccccc2)C2CCCC2)c2ccccc2)cc1 ZINC000002349431 570283886 /nfs/dbraw/zinc/28/38/86/570283886.db2.gz YANTXYVDNIRXEZ-FTJBHMTQSA-N 0 0 383.535 6.175 50 0 GKAARN Cc1ccc(C)c(NC(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)c1 ZINC000006787913 570284090 /nfs/dbraw/zinc/28/40/90/570284090.db2.gz YDWROZWCDQLKCF-UHFFFAOYSA-N 0 0 387.870 5.819 50 0 GKAARN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000119594658 570284486 /nfs/dbraw/zinc/28/44/86/570284486.db2.gz SKXAWYQHZOKFHF-IBGZPJMESA-N 0 0 394.559 5.054 50 0 GKAARN Cc1sc2nc(SCc3ccc(Cl)cc3Cl)n(C)c(=O)c2c1C ZINC000002376665 570284933 /nfs/dbraw/zinc/28/49/33/570284933.db2.gz PRIDEDRSZXADEM-UHFFFAOYSA-N 0 0 385.341 5.211 50 0 GKAARN Cc1ccc(-c2nc(N=NCc3cccc4cccnc43)nc3ccccc32)cc1 ZINC000245266080 570285248 /nfs/dbraw/zinc/28/52/48/570285248.db2.gz IIZUGTLUGDZKRM-UHFFFAOYSA-N 0 0 389.462 5.599 50 0 GKAARN CCCN(C(=O)CC(C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000006826424 570286424 /nfs/dbraw/zinc/28/64/24/570286424.db2.gz RJVDRJHSMYJMSV-UHFFFAOYSA-N 0 0 381.339 5.362 50 0 GKAARN CC(C)c1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000002397404 570285967 /nfs/dbraw/zinc/28/59/67/570285967.db2.gz BDKVJEISKBHXEE-UHFFFAOYSA-N 0 0 397.569 5.424 50 0 GKAARN O=C(Oc1c2ccccc2oc(=O)c1Cc1ccccc1)c1ccccc1Cl ZINC000002400358 570286018 /nfs/dbraw/zinc/28/60/18/570286018.db2.gz DLHMBABUDGIIEG-UHFFFAOYSA-N 0 0 390.822 5.256 50 0 GKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)c(Cl)c1 ZINC000006825305 570286082 /nfs/dbraw/zinc/28/60/82/570286082.db2.gz WQBCNBYOOZCQTJ-HXUWFJFHSA-N 0 0 393.849 6.039 50 0 GKAARN Cc1cc2nc(SCSc3nc4ccccc4s3)nc(C)c2cc1C ZINC000002435684 570286985 /nfs/dbraw/zinc/28/69/85/570286985.db2.gz RRCZINNKGKRIRX-UHFFFAOYSA-N 0 0 383.567 6.007 50 0 GKAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C)c(C)c4)c(N)c3cc2C1 ZINC000000661732 570287165 /nfs/dbraw/zinc/28/71/65/570287165.db2.gz DYSWFUTVNPBVIX-AWEZNQCLSA-N 0 0 379.529 5.263 50 0 GKAARN Cc1ccsc1-c1nc(CN2CCC([C@H](O)c3cccs3)CC2)c(C)o1 ZINC000020999744 570287299 /nfs/dbraw/zinc/28/72/99/570287299.db2.gz BXRPLUXDVZXXKF-SFHVURJKSA-N 0 0 388.558 5.027 50 0 GKAARN Clc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002455224 570287590 /nfs/dbraw/zinc/28/75/90/570287590.db2.gz ILVKSCVVEBKSMP-UHFFFAOYSA-N 0 0 384.664 5.503 50 0 GKAARN Brc1ccc(-c2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000002452321 570287669 /nfs/dbraw/zinc/28/76/69/570287669.db2.gz NUDDCPCLQBLAFA-UHFFFAOYSA-N 0 0 390.284 5.671 50 0 GKAARN CC(=O)C[C@@]1(C)Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000102278049 570288098 /nfs/dbraw/zinc/28/80/98/570288098.db2.gz CEVXCHCMAWNTAB-KALAYHLKSA-N 0 0 389.282 5.715 50 0 GKAARN CCCCOc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000002496889 570288583 /nfs/dbraw/zinc/28/85/83/570288583.db2.gz KYXGAMKTWMOYRD-UHFFFAOYSA-N 0 0 395.506 6.733 50 0 GKAARN O=C(c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(F)(F)F ZINC000002488063 570288665 /nfs/dbraw/zinc/28/86/65/570288665.db2.gz ICFKOYQMHIBMLM-UHFFFAOYSA-N 0 0 382.179 5.197 50 0 GKAARN Nc1c2ccc(-c3ccccc3)nc2sc1C(=O)c1ccc(Cl)cc1Cl ZINC000002505822 570288806 /nfs/dbraw/zinc/28/88/06/570288806.db2.gz ZCROJCWCJFDHFD-UHFFFAOYSA-N 0 0 399.302 6.083 50 0 GKAARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 ZINC000102476794 570289121 /nfs/dbraw/zinc/28/91/21/570289121.db2.gz UQUJRQKPQTZJHO-IQGLISFBSA-N 0 0 382.463 6.021 50 0 GKAARN Cc1cc(NCCC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br ZINC000002521067 570289601 /nfs/dbraw/zinc/28/96/01/570289601.db2.gz HNZYEBQOKPZRMB-UHFFFAOYSA-N 0 0 387.104 5.749 50 0 GKAARN Cc1nc(COc2cc(C)ccc2C)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000043220815 570289634 /nfs/dbraw/zinc/28/96/34/570289634.db2.gz OOEHTXWJTUMLHM-UHFFFAOYSA-N 0 0 380.513 5.517 50 0 GKAARN Cc1nc(COc2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cs1 ZINC000012906803 570290229 /nfs/dbraw/zinc/29/02/29/570290229.db2.gz VPYOTOIPYFFDCZ-UHFFFAOYSA-N 0 0 393.295 5.590 50 0 GKAARN Cc1c(Br)cccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000002546575 570290275 /nfs/dbraw/zinc/29/02/75/570290275.db2.gz OANWWLPYGYMUFW-ACCUITESSA-N 0 0 382.257 5.669 50 0 GKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(F)cc4)n3)oc21 ZINC000010749376 570290354 /nfs/dbraw/zinc/29/03/54/570290354.db2.gz QLBRIPFATNZKPW-UHFFFAOYSA-N 0 0 382.416 5.346 50 0 GKAARN COc1cccc2cc(-c3csc(NC(=O)c4ccc(C(C)=O)cc4)n3)oc21 ZINC000010747719 570290417 /nfs/dbraw/zinc/29/04/17/570290417.db2.gz KDGSCEOQILTUNV-UHFFFAOYSA-N 0 0 392.436 5.020 50 0 GKAARN Fc1ccc(-c2csc3ncnc(SCc4nc5ccccc5o4)c23)cc1 ZINC000021337002 570290425 /nfs/dbraw/zinc/29/04/25/570290425.db2.gz GCGPBYVMRZYHJP-UHFFFAOYSA-N 0 0 393.468 5.931 50 0 GKAARN COc1cccc2cc(-c3csc(NC(=O)/C=C/c4ccccc4)n3)oc21 ZINC000010747672 570290451 /nfs/dbraw/zinc/29/04/51/570290451.db2.gz CKXGUBJCJXWOAA-ZHACJKMWSA-N 0 0 376.437 5.217 50 0 GKAARN FC(F)(F)Oc1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000002549280 570290618 /nfs/dbraw/zinc/29/06/18/570290618.db2.gz RUURDOCKHSCTAX-UHFFFAOYSA-N 0 0 384.155 5.035 50 0 GKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccccc4OC)n3)oc21 ZINC000010750080 570290650 /nfs/dbraw/zinc/29/06/50/570290650.db2.gz 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ZINC000002583398 570291562 /nfs/dbraw/zinc/29/15/62/570291562.db2.gz OZIDZGSYLDTQMF-UHFFFAOYSA-N 0 0 384.056 5.838 50 0 GKAARN CCc1cccc2c(C(=O)[C@H](Nc3cccc(CO)c3)c3ccccc3)c[nH]c21 ZINC000021473301 570291662 /nfs/dbraw/zinc/29/16/62/570291662.db2.gz FGJVIMBUGCAUSH-XMMPIXPASA-N 0 0 384.479 5.259 50 0 GKAARN Cc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)o1 ZINC000021524397 570291966 /nfs/dbraw/zinc/29/19/66/570291966.db2.gz JWELGPDLPAAASQ-KRWDZBQOSA-N 0 0 398.890 5.254 50 0 GKAARN COc1ccc(-c2nc(CSc3ccc(C(C)(C)C)cc3)cs2)cc1OC ZINC000023325765 570292170 /nfs/dbraw/zinc/29/21/70/570292170.db2.gz OHXOEPLECFMXRJ-UHFFFAOYSA-N 0 0 399.581 6.417 50 0 GKAARN CCc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000004823913 570292172 /nfs/dbraw/zinc/29/21/72/570292172.db2.gz DYTJXBVEBXNANH-UHFFFAOYSA-N 0 0 383.923 5.128 50 0 GKAARN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc4ccccc43)cc2)cs1 ZINC000002647500 570292656 /nfs/dbraw/zinc/29/26/56/570292656.db2.gz VPHNFKMMPIMCHV-UHFFFAOYSA-N 0 0 380.494 5.073 50 0 GKAARN O=[S@](Cc1coc(-c2ccc(Cl)cc2)n1)Cc1c(F)cccc1Cl ZINC000012916321 570292758 /nfs/dbraw/zinc/29/27/58/570292758.db2.gz JPPGHTPLFFVBBH-DEOSSOPVSA-N 0 0 384.259 5.236 50 0 GKAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1nnsc1Cl ZINC000021601817 570293086 /nfs/dbraw/zinc/29/30/86/570293086.db2.gz BAEBOSAYZCXNCX-UHFFFAOYSA-N 0 0 395.871 5.072 50 0 GKAARN c1ccc(C[C@H](c2ccccn2)C2c3ccccc3Sc3ccccc32)nc1 ZINC000000701928 570293614 /nfs/dbraw/zinc/29/36/14/570293614.db2.gz JQEFVGPYDYCNMT-OAQYLSRUSA-N 0 0 380.516 6.100 50 0 GKAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1ccccc1 ZINC000034672426 570293688 /nfs/dbraw/zinc/29/36/88/570293688.db2.gz AQFCBCHRFZBRNE-UHFFFAOYSA-N 0 0 391.515 5.082 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1Cl ZINC000021657574 570293881 /nfs/dbraw/zinc/29/38/81/570293881.db2.gz SJYKYCKSNLEALT-UHFFFAOYSA-N 0 0 396.277 6.097 50 0 GKAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000103025327 570293955 /nfs/dbraw/zinc/29/39/55/570293955.db2.gz LQWXTPZEKJJKFX-RRMPHLOHSA-N 0 0 392.417 5.868 50 0 GKAARN Cc1ccc(C(=O)N[C@H](Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1 ZINC000002672804 570294817 /nfs/dbraw/zinc/29/48/17/570294817.db2.gz LDLMAYKGORPCFD-KRWDZBQOSA-N 0 0 385.722 5.150 50 0 GKAARN Cc1ccc(C(=O)N[C@H](Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc1 ZINC000002672800 570294820 /nfs/dbraw/zinc/29/48/20/570294820.db2.gz QDJMLAGRWHTMNZ-KRWDZBQOSA-N 0 0 385.722 5.150 50 0 GKAARN CCCn1c2ccc(Cl)cc2nc1S[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000023327634 570295008 /nfs/dbraw/zinc/29/50/08/570295008.db2.gz ATZHJUGEZAAHSK-ZDUSSCGKSA-N 0 0 398.919 6.003 50 0 GKAARN C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004828415 570295082 /nfs/dbraw/zinc/29/50/82/570295082.db2.gz SIPRGTUUROAKDB-CQSZACIVSA-N 0 0 391.452 5.116 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2[C@H](C)c2ccccc2)c1 ZINC000002689209 570295172 /nfs/dbraw/zinc/29/51/72/570295172.db2.gz OKTBCIAKIUSTPJ-HXUWFJFHSA-N 0 0 384.523 6.656 50 0 GKAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2cccs2)cc1 ZINC000021728900 570295205 /nfs/dbraw/zinc/29/52/05/570295205.db2.gz AWSRSVLRFGTUGN-GOSISDBHSA-N 0 0 385.492 5.383 50 0 GKAARN O=C1C[C@@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000021728717 570295288 /nfs/dbraw/zinc/29/52/88/570295288.db2.gz YXWGBMPZJNOQKN-FQEVSTJZSA-N 0 0 399.881 5.667 50 0 GKAARN Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2ccc(F)cc2)cc1 ZINC000021728831 570295301 /nfs/dbraw/zinc/29/53/01/570295301.db2.gz WGWWQDSSTDTRLN-NRFANRHFSA-N 0 0 397.453 5.461 50 0 GKAARN Cc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)c2ccccn2)o1 ZINC000021786866 570295959 /nfs/dbraw/zinc/29/59/59/570295959.db2.gz CBPNGAGLYYLWAM-UHFFFAOYSA-N 0 0 380.831 5.538 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(C)cc3F)c12 ZINC000014206956 570296166 /nfs/dbraw/zinc/29/61/66/570296166.db2.gz CYYLSJIBNMOEGS-UHFFFAOYSA-N 0 0 379.366 5.037 50 0 GKAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NCc2cccnc2)cc1 ZINC000021799415 570296241 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GKAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 ZINC000002736914 570296953 /nfs/dbraw/zinc/29/69/53/570296953.db2.gz ZXFNAPKMGROECE-UHFFFAOYSA-N 0 0 384.545 5.056 50 0 GKAARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCC2 ZINC000002736217 570296996 /nfs/dbraw/zinc/29/69/96/570296996.db2.gz KSINMGYWFPMNKK-BUHFOSPRSA-N 0 0 383.513 5.236 50 0 GKAARN CCc1cccc(CC)c1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002740232 570297251 /nfs/dbraw/zinc/29/72/51/570297251.db2.gz RNULQRGINILWBX-QHCPKHFHSA-N 0 0 375.537 6.284 50 0 GKAARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1F)Nc1ccccc1-2 ZINC000002743284 570297453 /nfs/dbraw/zinc/29/74/53/570297453.db2.gz KCWMPHYNLXLONH-IBGZPJMESA-N 0 0 396.491 5.463 50 0 GKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002746887 570297952 /nfs/dbraw/zinc/29/79/52/570297952.db2.gz UTOFDDXZSDBZQI-HXOBKFHXSA-N 0 0 391.511 6.027 50 0 GKAARN CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCC2 ZINC000002749032 570298275 /nfs/dbraw/zinc/29/82/75/570298275.db2.gz 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/nfs/dbraw/zinc/31/55/23/570315523.db2.gz VBRHSZSTPJFKSH-UHFFFAOYSA-N 0 0 377.241 5.852 50 0 GKAARN CC(C)SCCCCCCOc1ccc(I)cc1 ZINC000002880474 570315617 /nfs/dbraw/zinc/31/56/17/570315617.db2.gz OQEPUOIVEXUAKP-UHFFFAOYSA-N 0 0 378.319 5.372 50 0 GKAARN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cc2ccccc2cc1O ZINC000002880038 570315674 /nfs/dbraw/zinc/31/56/74/570315674.db2.gz UATKFYZKOGOQRU-UHFFFAOYSA-N 0 0 391.430 5.408 50 0 GKAARN CCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1 ZINC000002893116 570317349 /nfs/dbraw/zinc/31/73/49/570317349.db2.gz ZIUJWCRFIDIZMO-JOCHJYFZSA-N 0 0 379.887 6.165 50 0 GKAARN CCOc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1 ZINC000002893117 570317478 /nfs/dbraw/zinc/31/74/78/570317478.db2.gz ZIUJWCRFIDIZMO-QFIPXVFZSA-N 0 0 379.887 6.165 50 0 GKAARN Cc1cc(C)c(-c2cc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)cc1C ZINC000022461270 570317589 /nfs/dbraw/zinc/31/75/89/570317589.db2.gz YFMATRLOMFNIGB-UHFFFAOYSA-N 0 0 392.329 7.801 50 0 GKAARN CCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)c(F)c1 ZINC000034722970 570317679 /nfs/dbraw/zinc/31/76/79/570317679.db2.gz CBOYDFFYDDAWCJ-UHFFFAOYSA-N 0 0 376.840 5.254 50 0 GKAARN CCc1cc(=O)oc2cc(OCc3ccc(Cl)c(Cl)c3)c(Cl)cc12 ZINC000002910780 570318035 /nfs/dbraw/zinc/31/80/35/570318035.db2.gz CHEJQVUKWFRDPB-UHFFFAOYSA-N 0 0 383.658 5.895 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccccc1 ZINC000002915638 570318092 /nfs/dbraw/zinc/31/80/92/570318092.db2.gz ZOSLCPSZJMYIGP-UHFFFAOYSA-N 0 0 390.895 6.383 50 0 GKAARN CCN(CC)c1ccc(Nc2nc(-c3c(C)nc4ccccn43)cs2)cc1 ZINC000000759588 570318039 /nfs/dbraw/zinc/31/80/39/570318039.db2.gz KOFAFVNKDXUFHL-UHFFFAOYSA-N 0 0 377.517 5.356 50 0 GKAARN CC(C)(C)c1ccc(-c2nn3cc(-c4ccc5ccccc5c4)nc3s2)cc1 ZINC000006186882 570318109 /nfs/dbraw/zinc/31/81/09/570318109.db2.gz LLYZGAKNDUFBHG-UHFFFAOYSA-N 0 0 383.520 6.576 50 0 GKAARN Cc1[nH]c2ccc(C3N=NC(=S)N3c3ccc(Br)cc3)cc2c1C ZINC000002911339 570318201 /nfs/dbraw/zinc/31/82/01/570318201.db2.gz BWBGNJSCXQELDG-UHFFFAOYSA-N 0 0 399.317 5.084 50 0 GKAARN Cc1nc2cc(NC(=O)c3sc4nc(C(C)(C)C)nc(C)c4c3C)ccc2o1 ZINC000022508822 570318595 /nfs/dbraw/zinc/31/85/95/570318595.db2.gz ASNCEMBNUBCPFT-UHFFFAOYSA-N 0 0 394.500 5.308 50 0 GKAARN CC(C)COc1ccccc1-c1nc(C(=O)N(C)Cc2ccccc2)cs1 ZINC000034714539 570318728 /nfs/dbraw/zinc/31/87/28/570318728.db2.gz RNEDXJBCLKNDBI-UHFFFAOYSA-N 0 0 380.513 5.117 50 0 GKAARN CCc1ccc(Nc2nnc(-c3cc4cc(Cl)ccc4oc3=O)s2)cc1 ZINC000002938230 570318749 /nfs/dbraw/zinc/31/87/49/570318749.db2.gz PUDMEUUFOBYFBT-UHFFFAOYSA-N 0 0 383.860 5.271 50 0 GKAARN CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000002929724 570318752 /nfs/dbraw/zinc/31/87/52/570318752.db2.gz JTUOQIFFHYNUBV-UHFFFAOYSA-N 0 0 394.496 5.432 50 0 GKAARN COc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c(O)c2)c1 ZINC000002930398 570318829 /nfs/dbraw/zinc/31/88/29/570318829.db2.gz QOPBVCUDDKWNPC-UHFFFAOYSA-N 0 0 388.423 5.078 50 0 GKAARN FC(F)(F)c1cc(Cl)c2nc(-c3cccc(Br)c3)cn2c1 ZINC000006188148 570319051 /nfs/dbraw/zinc/31/90/51/570319051.db2.gz 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ZINC000585147754 570319668 /nfs/dbraw/zinc/31/96/68/570319668.db2.gz YRMVWZPXHNZQJA-HNNXBMFYSA-N 0 0 380.494 5.027 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002951852 570319758 /nfs/dbraw/zinc/31/97/58/570319758.db2.gz KLUAQQBYCDVGBA-UHFFFAOYSA-N 0 0 397.702 5.395 50 0 GKAARN CCOc1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000002953826 570319783 /nfs/dbraw/zinc/31/97/83/570319783.db2.gz FMTACEFYRNNLBO-KNTRCKAVSA-N 0 0 377.871 5.918 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccccc1 ZINC000002954781 570319858 /nfs/dbraw/zinc/31/98/58/570319858.db2.gz GYGVONKGWJGJOL-HXUWFJFHSA-N 0 0 383.278 5.760 50 0 GKAARN O=C(Nc1ccc(Br)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002951464 570319912 /nfs/dbraw/zinc/31/99/12/570319912.db2.gz FBJBUMJZJMYRSP-IBGZPJMESA-N 0 0 398.325 5.921 50 0 GKAARN C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(Cl)cc4)cc3cc21 ZINC000575473069 570319996 /nfs/dbraw/zinc/31/99/96/570319996.db2.gz CENVHDSQBHXMPS-CYBMUJFWSA-N 0 0 395.886 5.399 50 0 GKAARN CCc1cc(C(=O)Nc2nc3ccc(F)cc3s2)sc1-c1ccccc1 ZINC000585152388 570320009 /nfs/dbraw/zinc/32/00/09/570320009.db2.gz XXZHOUIRGOWPFK-UHFFFAOYSA-N 0 0 382.485 5.979 50 0 GKAARN CCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)cc1OC ZINC000034717300 570320100 /nfs/dbraw/zinc/32/01/00/570320100.db2.gz YXGRPLJAJMSVKE-UHFFFAOYSA-N 0 0 388.876 5.123 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1cccs1 ZINC000023332814 570320566 /nfs/dbraw/zinc/32/05/66/570320566.db2.gz YRDPFOFHMMALIL-ZDUSSCGKSA-N 0 0 385.510 5.390 50 0 GKAARN O=c1c(-c2ccc(F)cc2)coc2cc(OCc3c(F)cccc3Cl)ccc12 ZINC000002976878 570321133 /nfs/dbraw/zinc/32/11/33/570321133.db2.gz HSNPIQOZGQXDRR-UHFFFAOYSA-N 0 0 398.792 5.971 50 0 biogenic GKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000002976087 570321213 /nfs/dbraw/zinc/32/12/13/570321213.db2.gz RKPKJSAFQZDHEJ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)oc2c1 ZINC000002972534 570321329 /nfs/dbraw/zinc/32/13/29/570321329.db2.gz PCCSKQLUKFVAIS-WLRTZDKTSA-N 0 0 388.854 6.109 50 0 GKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000002974283 570321341 /nfs/dbraw/zinc/32/13/41/570321341.db2.gz ZDCQIMTVODQBEK-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(CC)cc2)sc2c1Cc1ccccc1-2 ZINC000023336856 570321416 /nfs/dbraw/zinc/32/14/16/570321416.db2.gz DVPHFSOWKRSIJN-UHFFFAOYSA-N 0 0 391.492 5.311 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)c1ccccc1F ZINC000023334044 570321423 /nfs/dbraw/zinc/32/14/23/570321423.db2.gz CWSDUSLPIGUFSH-AWEZNQCLSA-N 0 0 397.471 5.468 50 0 GKAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000023334745 570321664 /nfs/dbraw/zinc/32/16/64/570321664.db2.gz NHLHSMGDYNZSBK-JOCHJYFZSA-N 0 0 395.424 5.802 50 0 GKAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000023334744 570321837 /nfs/dbraw/zinc/32/18/37/570321837.db2.gz NHLHSMGDYNZSBK-QFIPXVFZSA-N 0 0 395.424 5.802 50 0 GKAARN COc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000002979090 570321863 /nfs/dbraw/zinc/32/18/63/570321863.db2.gz CGNHYXLMQZYDOM-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1Cl ZINC000002978707 570321919 /nfs/dbraw/zinc/32/19/19/570321919.db2.gz VQXDHOLAMXCEPY-UHFFFAOYSA-N 0 0 394.110 5.427 50 0 GKAARN CC(C)=C[C@H]1[C@H](C(=O)N(C)C2(C(=O)Nc3ccccc3)CCCCC2)C1(C)C ZINC000075279134 570321940 /nfs/dbraw/zinc/32/19/40/570321940.db2.gz BZOLXBWGQZZZSE-VQTJNVASSA-N 0 0 382.548 5.025 50 0 GKAARN Cc1cc(Nc2cccc(Cl)c2)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 ZINC000016283409 570321987 /nfs/dbraw/zinc/32/19/87/570321987.db2.gz MSBUOFHNUQFLLS-UHFFFAOYSA-N 0 0 393.922 5.298 50 0 GKAARN Cc1sc2nc(S[C@@H](C)C(=O)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000032946988 570322591 /nfs/dbraw/zinc/32/25/91/570322591.db2.gz KCIUHRBMQMLQSJ-AWEZNQCLSA-N 0 0 386.542 5.019 50 0 GKAARN CCOc1ccccc1OCCCCOc1ccc(C)cc1Br ZINC000002984123 570322690 /nfs/dbraw/zinc/32/26/90/570322690.db2.gz QNPXQBQUJDPTPU-UHFFFAOYSA-N 0 0 379.294 5.394 50 0 GKAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000002983755 570322736 /nfs/dbraw/zinc/32/27/36/570322736.db2.gz YUFXKHDHSCLSFF-UHFFFAOYSA-N 0 0 397.327 5.299 50 0 GKAARN CCOc1cccc(OCCOCCOc2c(C)cc(Cl)cc2Cl)c1 ZINC000002985763 570323045 /nfs/dbraw/zinc/32/30/45/570323045.db2.gz KGTPSKCEPPOAKY-UHFFFAOYSA-N 0 0 385.287 5.175 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000002985370 570323067 /nfs/dbraw/zinc/32/30/67/570323067.db2.gz XOOHNKNBVJUJOX-UHFFFAOYSA-N 0 0 381.928 5.871 50 0 GKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000002985586 570323073 /nfs/dbraw/zinc/32/30/73/570323073.db2.gz PYLQBKBJNHFRIB-UHFFFAOYSA-N 0 0 396.434 5.011 50 0 GKAARN CCOc1ccc(-c2nc3ccccc3c(N(C)CCc3ccccc3)n2)cc1 ZINC000023438168 570323090 /nfs/dbraw/zinc/32/30/90/570323090.db2.gz ZEPAPIYTMWMGMY-UHFFFAOYSA-N 0 0 383.495 5.374 50 0 GKAARN CN(Cc1csc(-c2ccc(Cl)cc2)n1)Cc1cccc2ccccc21 ZINC000023427178 570323238 /nfs/dbraw/zinc/32/32/38/570323238.db2.gz MMQQKPKWGKDRAA-UHFFFAOYSA-N 0 0 378.928 6.249 50 0 GKAARN Cc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)no2)c1 ZINC000023428239 570323259 /nfs/dbraw/zinc/32/32/59/570323259.db2.gz FFBGSZSAQDWZMM-QFIPXVFZSA-N 0 0 382.463 5.364 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c(Cl)c1 ZINC000002986182 570323278 /nfs/dbraw/zinc/32/32/78/570323278.db2.gz APBHSRQSQVSSPP-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN COc1ccc2[nH]c(SCc3csc(Cc4ccc(C)cc4)n3)nc2c1 ZINC000023425256 570323332 /nfs/dbraw/zinc/32/33/32/570323332.db2.gz OMDAZMNMQMLULG-UHFFFAOYSA-N 0 0 381.526 5.220 50 0 GKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccccc2F)cc1 ZINC000023436633 570323346 /nfs/dbraw/zinc/32/33/46/570323346.db2.gz YWKZTWSTJRVWQS-UHFFFAOYSA-N 0 0 388.442 5.426 50 0 GKAARN COc1ccc(/C=C(/C(=O)Nc2cccc3ccccc32)c2ccccc2)cc1 ZINC000002987814 570323333 /nfs/dbraw/zinc/32/33/33/570323333.db2.gz SUUCZDXLOJJJOK-HKOYGPOVSA-N 0 0 379.459 6.028 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)cc(-c3ccc(OC)cc3)c2)cc1 ZINC000001599716 570323439 /nfs/dbraw/zinc/32/34/39/570323439.db2.gz QLHSLHOMBWKQMI-UHFFFAOYSA-N 0 0 396.486 6.713 50 0 GKAARN COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)c1 ZINC000023430181 570323460 /nfs/dbraw/zinc/32/34/60/570323460.db2.gz MIEQHBWOYASFIW-QGZVFWFLSA-N 0 0 397.478 5.243 50 0 GKAARN COc1ccc(-c2ccc3nc(-c4ccc(F)c(C)c4)oc3c2)c(OC)c1OC ZINC000023450615 570323477 /nfs/dbraw/zinc/32/34/77/570323477.db2.gz HTHFBYLSGYTOBU-UHFFFAOYSA-N 0 0 393.414 5.635 50 0 GKAARN O=C(Nc1ccc(Cc2ccccc2)cc1)c1sc2ccccc2c1Cl ZINC000023432080 570323519 /nfs/dbraw/zinc/32/35/19/570323519.db2.gz IUOSIVDQJGYKCT-UHFFFAOYSA-N 0 0 377.896 6.398 50 0 GKAARN O=C(Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccco1 ZINC000002988349 570323554 /nfs/dbraw/zinc/32/35/54/570323554.db2.gz BKLAWVCSFFOKQR-UHFFFAOYSA-N 0 0 396.446 5.303 50 0 GKAARN COc1ccc(-c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)c(OC)c1OC ZINC000023448602 570323570 /nfs/dbraw/zinc/32/35/70/570323570.db2.gz MBMDWPOIJMIVRH-UHFFFAOYSA-N 0 0 395.842 5.841 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002988913 570323699 /nfs/dbraw/zinc/32/36/99/570323699.db2.gz AZHSDNJJLBRMCO-FDDCHVKYSA-N 0 0 375.537 6.672 50 0 GKAARN Fc1ccc(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)cc1F ZINC000023434652 570323747 /nfs/dbraw/zinc/32/37/47/570323747.db2.gz FFBPDMGJCLSDTQ-UHFFFAOYSA-N 0 0 375.296 6.459 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002991553 570323971 /nfs/dbraw/zinc/32/39/71/570323971.db2.gz PGEIFQJOOAWORK-WMZHIEFXSA-N 0 0 375.537 5.658 50 0 GKAARN CC(C)C(NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(C)C ZINC000002991390 570323975 /nfs/dbraw/zinc/32/39/75/570323975.db2.gz BXLKPBGEFNKIDL-UHFFFAOYSA-N 0 0 375.965 6.043 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002991555 570323994 /nfs/dbraw/zinc/32/39/94/570323994.db2.gz PGEIFQJOOAWORK-CVDCTZTESA-N 0 0 375.537 5.658 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000002991742 570323997 /nfs/dbraw/zinc/32/39/97/570323997.db2.gz LMZDKNJOMVBLLJ-RVDMUPIBSA-N 0 0 389.520 5.948 50 0 GKAARN Cc1ccc(Cl)c(OCCOCCn2c3ccccc3c3ccccc32)c1 ZINC000002992147 570324002 /nfs/dbraw/zinc/32/40/02/570324002.db2.gz JZTGBPFMYHVEFZ-UHFFFAOYSA-N 0 0 379.887 5.852 50 0 GKAARN COc1ccc(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)cc1C ZINC000023438885 570324081 /nfs/dbraw/zinc/32/40/81/570324081.db2.gz KIVZYIMUHYGDBF-UHFFFAOYSA-N 0 0 383.369 6.498 50 0 GKAARN c1cc(Cc2nc3ccccc3s2)sc1Cc1nc2ccccc2s1 ZINC000002994106 570324268 /nfs/dbraw/zinc/32/42/68/570324268.db2.gz JPHOWWQQQHFOJA-UHFFFAOYSA-N 0 0 378.547 6.149 50 0 GKAARN CC(C)N(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)C1CCCCC1 ZINC000022654039 570324310 /nfs/dbraw/zinc/32/43/10/570324310.db2.gz MRHGSZWNTOYZEP-UHFFFAOYSA-N 0 0 385.529 5.370 50 0 GKAARN C[C@H](NC(=O)c1ccc(-c2ccc(F)c(F)c2)s1)c1cccc2ccccc21 ZINC000023446643 570324309 /nfs/dbraw/zinc/32/43/09/570324309.db2.gz FYOCRQHOVWOEBW-AWEZNQCLSA-N 0 0 393.458 6.338 50 0 GKAARN COc1ccc(-c2ccc3nc(-c4ccccc4F)oc3c2)c(OC)c1OC ZINC000023445642 570324340 /nfs/dbraw/zinc/32/43/40/570324340.db2.gz SEPWKHNMNJZVRQ-UHFFFAOYSA-N 0 0 379.387 5.327 50 0 GKAARN Fc1cccc(F)c1-c1nc(CSc2nc3cc(Cl)ccc3o2)cs1 ZINC000023446055 570324403 /nfs/dbraw/zinc/32/44/03/570324403.db2.gz YZMRUELXTZGKER-UHFFFAOYSA-N 0 0 394.855 6.175 50 0 GKAARN O=C(NCc1ccco1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023458430 570324453 /nfs/dbraw/zinc/32/44/53/570324453.db2.gz QQAABKNQZOPDTH-UHFFFAOYSA-N 0 0 393.446 5.420 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1 ZINC000002994862 570324584 /nfs/dbraw/zinc/32/45/84/570324584.db2.gz USOSYHSKVROYJZ-UHFFFAOYSA-N 0 0 381.328 5.418 50 0 GKAARN CCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(C)=O)c2ccccc21 ZINC000002996054 570324601 /nfs/dbraw/zinc/32/46/01/570324601.db2.gz HFRAKQWXVBVJHP-CYFREDJKSA-N 0 0 392.543 5.876 50 0 GKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2C)cc1 ZINC000002996793 570324646 /nfs/dbraw/zinc/32/46/46/570324646.db2.gz GXJNMQOWUVJKRS-UHFFFAOYSA-N 0 0 385.467 5.579 50 0 GKAARN O=C1c2ccccc2N[C@H](/C=C/c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000002999279 570325193 /nfs/dbraw/zinc/32/51/93/570325193.db2.gz MRYWIDJHVPAQQB-ARKBFRDHSA-N 0 0 394.396 5.817 50 0 GKAARN c1csc(-c2nc(Cn3c(COc4ccccc4)nc4ccccc43)co2)c1 ZINC000022704896 570325280 /nfs/dbraw/zinc/32/52/80/570325280.db2.gz LDPKQFWBACRNAK-UHFFFAOYSA-N 0 0 387.464 5.380 50 0 GKAARN CC(C)c1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000003004497 570325738 /nfs/dbraw/zinc/32/57/38/570325738.db2.gz CIOIXSRXWRZQTR-UHFFFAOYSA-N 0 0 387.104 6.132 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003003937 570325821 /nfs/dbraw/zinc/32/58/21/570325821.db2.gz IHKRMQDLMNFSTK-UHFFFAOYSA-N 0 0 381.703 5.938 50 0 GKAARN Cc1cccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NC[C@H](C)S2)c1 ZINC000001645030 570326006 /nfs/dbraw/zinc/32/60/06/570326006.db2.gz ZQTGDEHCVGFQCB-LBPRGKRZSA-N 0 0 394.327 5.832 50 0 GKAARN C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 ZINC000023547578 570326092 /nfs/dbraw/zinc/32/60/92/570326092.db2.gz RBZIZBWYTXJODJ-CQSZACIVSA-N 0 0 389.417 5.034 50 0 GKAARN CSc1ccccc1NC(=O)CSCc1ccc(Br)cc1 ZINC000003017051 570326130 /nfs/dbraw/zinc/32/61/30/570326130.db2.gz XNAGJUAGKDDNFK-UHFFFAOYSA-N 0 0 382.348 5.043 50 0 GKAARN Cc1cc(C)cc(OP(=O)(Oc2ccccc2)Oc2cc(C)cc(C)c2)c1 ZINC000003039737 570326570 /nfs/dbraw/zinc/32/65/70/570326570.db2.gz QNHJGRCAAFTBKH-UHFFFAOYSA-N 0 0 382.396 6.565 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccccc2)C1=O ZINC000034734925 570326607 /nfs/dbraw/zinc/32/66/07/570326607.db2.gz KALRPWHNFRZYCD-UHFFFAOYSA-N 0 0 399.494 5.080 50 0 GKAARN Clc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCCCCC2)n1 ZINC000003021378 570326610 /nfs/dbraw/zinc/32/66/10/570326610.db2.gz LUKCALHEOAPCEN-UHFFFAOYSA-N 0 0 379.895 5.375 50 0 GKAARN C[C@H](c1ccccc1)N1CCCN(c2ccccc2NC(=O)CC(C)(C)C)C1=O ZINC000034735106 570326639 /nfs/dbraw/zinc/32/66/39/570326639.db2.gz DLAMMHSYLZVJMQ-GOSISDBHSA-N 0 0 393.531 5.455 50 0 GKAARN Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000003045635 570326930 /nfs/dbraw/zinc/32/69/30/570326930.db2.gz ZJQRGNFTLVZCEA-UHFFFAOYSA-N 0 0 382.315 7.451 50 0 GKAARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Sc1cccc(Cl)c1Cl ZINC000003078741 570327639 /nfs/dbraw/zinc/32/76/39/570327639.db2.gz WEDMQNFMZSTXLQ-UHFFFAOYSA-N 0 0 398.698 6.543 50 0 GKAARN CCc1cc2c(cc1-c1csc(-c3ccncc3)n1)C(C)(C)CCC2(C)C ZINC000003078907 570327747 /nfs/dbraw/zinc/32/77/47/570327747.db2.gz ITADMZHFPIWQLF-UHFFFAOYSA-N 0 0 376.569 6.784 50 0 GKAARN Cc1ccc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c(C)c1 ZINC000011689799 570327764 /nfs/dbraw/zinc/32/77/64/570327764.db2.gz OXVVOMFIIDHXHV-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN Cc1c(C)c(CSc2nc3ccccc3s2)c(C)c(C)c1Br ZINC000003092593 570328022 /nfs/dbraw/zinc/32/80/22/570328022.db2.gz ZJIICKAPXCLSEU-UHFFFAOYSA-N 0 0 392.387 6.585 50 0 GKAARN Cn1cc(CCCC(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)c2ccccc21 ZINC000524729637 570328164 /nfs/dbraw/zinc/32/81/64/570328164.db2.gz BGOWGRZYXCRCKL-QFIPXVFZSA-N 0 0 385.511 5.176 50 0 biogenic GKAARN CC(C)(C)c1cc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1 ZINC000003107443 570328628 /nfs/dbraw/zinc/32/86/28/570328628.db2.gz RPBTURXQUMQCJP-UHFFFAOYSA-N 0 0 393.659 8.620 50 0 GKAARN Brc1ccc(-c2ccc(-c3ccc(Br)cc3)s2)cc1 ZINC000001701422 570328926 /nfs/dbraw/zinc/32/89/26/570328926.db2.gz NSEMERYXZLFBKN-UHFFFAOYSA-N 0 0 394.131 6.607 50 0 GKAARN Nc1ccccc1S[C@H](CC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003118420 570329109 /nfs/dbraw/zinc/32/91/09/570329109.db2.gz SYYBPBAHXRMMLZ-RUZDIDTESA-N 0 0 383.516 6.528 50 0 GKAARN COc1ccccc1-n1cnnc1SCc1cc2ccc(C)cc2nc1Cl ZINC000023646147 570329271 /nfs/dbraw/zinc/32/92/71/570329271.db2.gz UKMCHLASIPECMR-UHFFFAOYSA-N 0 0 396.903 5.078 50 0 GKAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000524735444 570329369 /nfs/dbraw/zinc/32/93/69/570329369.db2.gz CQJCWQVNWQIDDS-RTWAWAEBSA-N 0 0 389.524 5.204 50 0 GKAARN O=C(C[C@H](c1ccsc1)n1cccc1)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000524735442 570329591 /nfs/dbraw/zinc/32/95/91/570329591.db2.gz CQJCWQVNWQIDDS-LEWJYISDSA-N 0 0 389.524 5.204 50 0 GKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000003129194 570329683 /nfs/dbraw/zinc/32/96/83/570329683.db2.gz JXWFTKSCADYUAE-UHFFFAOYSA-N 0 0 382.699 6.628 50 0 GKAARN O=C1NN(c2ccccc2)C(SCc2ccccc2Cl)=Nc2ccccc21 ZINC000003128957 570329690 /nfs/dbraw/zinc/32/96/90/570329690.db2.gz ZKUCBXPDCBOPKM-UHFFFAOYSA-N 0 0 393.899 5.426 50 0 GKAARN CSc1cc(-c2ccc(Oc3ccccc3)cc2)nn1C(=O)c1ccccc1 ZINC000003171218 570331631 /nfs/dbraw/zinc/33/16/31/570331631.db2.gz JWGCWRWESQKIIV-UHFFFAOYSA-N 0 0 386.476 5.753 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000003170884 570331764 /nfs/dbraw/zinc/33/17/64/570331764.db2.gz OWRBRDVCPXCJPT-UHFFFAOYSA-N 0 0 385.866 6.216 50 0 GKAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)C1(c2cccs2)CCCC1 ZINC000575609365 570332616 /nfs/dbraw/zinc/33/26/16/570332616.db2.gz BDEDWMJAYYUFTN-IBGZPJMESA-N 0 0 397.565 5.138 50 0 GKAARN Cc1ccc2c(c1)N[C@@]1(c3ccccc3)c3ccc(C)cc3N[C@@]21c1ccccc1 ZINC000003219832 570332705 /nfs/dbraw/zinc/33/27/05/570332705.db2.gz DAUGNHXGAFWCAK-NSOVKSMOSA-N 0 0 388.514 6.342 50 0 GKAARN CC[C@@H](C)Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1 ZINC000003254782 570334738 /nfs/dbraw/zinc/33/47/38/570334738.db2.gz VTQDUGXMWDOFKB-CYBMUJFWSA-N 0 0 390.892 5.038 50 0 GKAARN c1c(-c2ccccc2)sc2ncnc(N3CCC(Cc4ccccc4)CC3)c12 ZINC000003267609 570335135 /nfs/dbraw/zinc/33/51/35/570335135.db2.gz YDJQVDAHGUKRIJ-UHFFFAOYSA-N 0 0 385.536 5.817 50 0 GKAARN c1c(-c2ccccc2)sc2ncnc(Oc3ccc(Cc4ccccc4)cc3)c12 ZINC000003267619 570335138 /nfs/dbraw/zinc/33/51/38/570335138.db2.gz AFULXONYHNHFGI-UHFFFAOYSA-N 0 0 394.499 6.741 50 0 GKAARN O=C(CC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl ZINC000003269846 570335245 /nfs/dbraw/zinc/33/52/45/570335245.db2.gz WEMXGSAYLGOBEN-UHFFFAOYSA-N 0 0 392.069 5.268 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1)c1ccccc1 ZINC000034793677 570336487 /nfs/dbraw/zinc/33/64/87/570336487.db2.gz SZBKAYGYLGZFIC-SFHVURJKSA-N 0 0 379.891 5.740 50 0 GKAARN CC[C@@H](C(=O)Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1)c1ccccc1 ZINC000034793679 570336672 /nfs/dbraw/zinc/33/66/72/570336672.db2.gz SZBKAYGYLGZFIC-GOSISDBHSA-N 0 0 379.891 5.740 50 0 GKAARN Cc1sc2ncnc(SCC(=O)Nc3cccc4ccccc43)c2c1C ZINC000003303722 570336707 /nfs/dbraw/zinc/33/67/07/570336707.db2.gz LFCSUBDNRRUCLX-UHFFFAOYSA-N 0 0 379.510 5.192 50 0 GKAARN CCCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccc(F)cc1F ZINC000034795870 570337262 /nfs/dbraw/zinc/33/72/62/570337262.db2.gz MOXNDPYHBSVPJH-UHFFFAOYSA-N 0 0 397.469 5.857 50 0 GKAARN CCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1c(F)cccc1F ZINC000034795525 570337266 /nfs/dbraw/zinc/33/72/66/570337266.db2.gz JVVQSPSZXCGIMN-UHFFFAOYSA-N 0 0 395.331 5.188 50 0 GKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccccc1OC ZINC000034795785 570337271 /nfs/dbraw/zinc/33/72/71/570337271.db2.gz ZVQQLKFWZQLMTJ-UHFFFAOYSA-N 0 0 377.488 5.198 50 0 GKAARN CCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034795365 570337283 /nfs/dbraw/zinc/33/72/83/570337283.db2.gz RYDLRUWLHWEHTR-UHFFFAOYSA-N 0 0 391.368 5.439 50 0 GKAARN O=C(Cc1ccccc1)Nc1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1C1CC1 ZINC000034795533 570337301 /nfs/dbraw/zinc/33/73/01/570337301.db2.gz XQUCFKAHFJXZPU-UHFFFAOYSA-N 0 0 385.389 5.154 50 0 GKAARN CC(C)(C)c1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000034795840 570337355 /nfs/dbraw/zinc/33/73/55/570337355.db2.gz DDTWNXLTBACBPY-UHFFFAOYSA-N 0 0 395.453 5.782 50 0 GKAARN CCCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1cccc(Cl)c1 ZINC000034795862 570337382 /nfs/dbraw/zinc/33/73/82/570337382.db2.gz JCJUJQZWYVCOAV-UHFFFAOYSA-N 0 0 395.934 6.232 50 0 GKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034795767 570337485 /nfs/dbraw/zinc/33/74/85/570337485.db2.gz GHZJGIOBXWVABM-FQEVSTJZSA-N 0 0 389.543 6.069 50 0 GKAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccc(Cl)cc2)c1 ZINC000034796186 570337675 /nfs/dbraw/zinc/33/76/75/570337675.db2.gz NVZKZCBOHXSENF-UHFFFAOYSA-N 0 0 383.879 5.190 50 0 GKAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(Cl)c2)c1 ZINC000034796204 570337803 /nfs/dbraw/zinc/33/78/03/570337803.db2.gz JCNJMFQAFNQILD-UHFFFAOYSA-N 0 0 383.879 5.190 50 0 GKAARN CC[C@@H](C(=O)Nc1c(CC(C)C)[nH]nc1-c1cccc(OC)c1)c1ccccc1 ZINC000034796194 570337840 /nfs/dbraw/zinc/33/78/40/570337840.db2.gz BKHJGMJTMOAKEJ-HXUWFJFHSA-N 0 0 391.515 5.416 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2ccccc2OC)n[nH]c1C1CC1)c1ccccc1 ZINC000034796291 570337857 /nfs/dbraw/zinc/33/78/57/570337857.db2.gz PASKQCGHGJOQCS-KRWDZBQOSA-N 0 0 375.472 5.095 50 0 GKAARN CC[C@@H](C(=O)Nc1c(-c2ccccc2OC)n[nH]c1C1CC1)c1ccccc1 ZINC000034796292 570337882 /nfs/dbraw/zinc/33/78/82/570337882.db2.gz PASKQCGHGJOQCS-QGZVFWFLSA-N 0 0 375.472 5.095 50 0 GKAARN CCCc1[nH]nc(-c2cccs2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034796479 570338117 /nfs/dbraw/zinc/33/81/17/570338117.db2.gz XCVGXIHJVRIVJI-UHFFFAOYSA-N 0 0 379.407 5.362 50 0 GKAARN COc1ccccc1NC(=O)Nc1c(-c2cccc(Cl)c2)n[nH]c1C1CC1 ZINC000034796554 570338191 /nfs/dbraw/zinc/33/81/91/570338191.db2.gz VFWFSBMHTABBJM-UHFFFAOYSA-N 0 0 382.851 5.260 50 0 GKAARN Cc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)Nc1ccc(F)c(F)c1 ZINC000034796668 570338290 /nfs/dbraw/zinc/33/82/90/570338290.db2.gz XNJSGZNXYYEWSL-UHFFFAOYSA-N 0 0 384.430 5.605 50 0 GKAARN O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(CCc2ccccc2)CC1 ZINC000034904420 570338599 /nfs/dbraw/zinc/33/85/99/570338599.db2.gz SXNGCYZOYMBCPN-UHFFFAOYSA-N 0 0 379.397 5.330 50 0 GKAARN CCCCCc1c(C)c2cc3c(-c4cccc(OC)c4)coc3c(C)c2oc1=O ZINC000011691917 570339134 /nfs/dbraw/zinc/33/91/34/570339134.db2.gz ZUIOPAIHNPCLKR-UHFFFAOYSA-N 0 0 390.479 6.564 50 0 GKAARN CCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccc(F)cc1F ZINC000034907272 570339272 /nfs/dbraw/zinc/33/92/72/570339272.db2.gz BHPYPOASJJSOFY-UHFFFAOYSA-N 0 0 383.442 5.263 50 0 GKAARN CCc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(Cl)cc1 ZINC000034907359 570339742 /nfs/dbraw/zinc/33/97/42/570339742.db2.gz 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ZINC000034908565 570340101 /nfs/dbraw/zinc/34/01/01/570340101.db2.gz HEUGVINGUHCJQD-JOCHJYFZSA-N 0 0 397.478 6.172 50 0 GKAARN CC(C)CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908133 570340108 /nfs/dbraw/zinc/34/01/08/570340108.db2.gz KTVMAIRNXYWXSU-IBGZPJMESA-N 0 0 384.426 5.483 50 0 GKAARN CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908013 570340110 /nfs/dbraw/zinc/34/01/10/570340110.db2.gz YYVOEMPPFQMKLX-IBGZPJMESA-N 0 0 398.453 5.873 50 0 GKAARN COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)C3CCCC3)nc2c1 ZINC000034908439 570340141 /nfs/dbraw/zinc/34/01/41/570340141.db2.gz IKERWOSHUBSEIG-HXUWFJFHSA-N 0 0 390.483 5.357 50 0 GKAARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2Cc2ccccc2)cc1 ZINC000035325778 570340204 /nfs/dbraw/zinc/34/02/04/570340204.db2.gz ACLYNQDUKLGXFZ-HSZRJFAPSA-N 0 0 380.491 6.007 50 0 GKAARN CCCCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)c(C)c3)ccc2o1 ZINC000034908681 570340345 /nfs/dbraw/zinc/34/03/45/570340345.db2.gz GOYZWWPILNKSLK-FQEVSTJZSA-N 0 0 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Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3C)oc2c(C)c1 ZINC000003770786 570350729 /nfs/dbraw/zinc/35/07/29/570350729.db2.gz CUKJTUSWKUJKOP-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 ZINC000003770777 570350828 /nfs/dbraw/zinc/35/08/28/570350828.db2.gz OYAFSMRMRHPXMF-UHFFFAOYSA-N 0 0 390.870 6.271 50 0 GKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000004868195 570351629 /nfs/dbraw/zinc/35/16/29/570351629.db2.gz QEPBINCFNHKRJZ-UHFFFAOYSA-N 0 0 379.891 6.531 50 0 GKAARN COc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC ZINC000006259121 570351661 /nfs/dbraw/zinc/35/16/61/570351661.db2.gz PHLGEWURVODYPN-UHFFFAOYSA-N 0 0 398.286 5.117 50 0 GKAARN O=C(c1sc(Nc2ccccc2)c2c1CCC2)c1ccc(-c2ccccc2)cc1 ZINC000006258032 570352099 /nfs/dbraw/zinc/35/20/99/570352099.db2.gz XIMBFDYQEBWWPT-UHFFFAOYSA-N 0 0 395.527 6.878 50 0 GKAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000004871514 570352159 /nfs/dbraw/zinc/35/21/59/570352159.db2.gz 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O=C(Nc1cccc2c1CCCC2)c1cc(-c2cccs2)nc2ccccc21 ZINC000004874264 570352755 /nfs/dbraw/zinc/35/27/55/570352755.db2.gz QKTMRZLGEKMFLD-UHFFFAOYSA-N 0 0 384.504 6.094 50 0 GKAARN Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)c1 ZINC000006261090 570353005 /nfs/dbraw/zinc/35/30/05/570353005.db2.gz KFMZEUYDXWJPAY-UHFFFAOYSA-N 0 0 390.464 5.084 50 0 GKAARN CCOc1ccccc1OCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000006260912 570353038 /nfs/dbraw/zinc/35/30/38/570353038.db2.gz WPAJYSAAXOMLMY-UHFFFAOYSA-N 0 0 396.512 5.152 50 0 GKAARN O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000003875911 570353035 /nfs/dbraw/zinc/35/30/35/570353035.db2.gz DVLXEVMGHXWBOZ-UHFFFAOYSA-N 0 0 382.500 5.594 50 0 GKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12 ZINC000003894499 570353317 /nfs/dbraw/zinc/35/33/17/570353317.db2.gz LPXVCPVAKUZWGD-UHFFFAOYSA-N 0 0 379.548 5.544 50 0 GKAARN C[C@@H]1C[C@@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000006266331 570353422 /nfs/dbraw/zinc/35/34/22/570353422.db2.gz BTKLISRXRMVGRX-QVKFZJNVSA-N 0 0 394.877 6.071 50 0 GKAARN C[C@H]1CCc2c(sc3nc(CSc4ccc(Cl)cc4)nc(Cl)c32)C1 ZINC000003886947 570353550 /nfs/dbraw/zinc/35/35/50/570353550.db2.gz YKZAUHIOUPLVSV-JTQLQIEISA-N 0 0 395.380 6.415 50 0 GKAARN CCCCCC1CCC(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000003997494 570353897 /nfs/dbraw/zinc/35/38/97/570353897.db2.gz UDZQIABKVDIALT-UHFFFAOYSA-N 0 0 399.600 6.650 50 0 GKAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000004880148 570354122 /nfs/dbraw/zinc/35/41/22/570354122.db2.gz TTYAPZOMCSUYPW-AHWVRZQESA-N 0 0 398.506 6.025 50 0 GKAARN O=C(Nc1cc(F)cc(F)c1)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023320919 570354457 /nfs/dbraw/zinc/35/44/57/570354457.db2.gz IEPHHPPXUYHVJW-NRFANRHFSA-N 0 0 382.385 5.284 50 0 GKAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3c(Cl)cccc3Cl)noc1-2 ZINC000004881370 570354648 /nfs/dbraw/zinc/35/46/48/570354648.db2.gz ZENQGGURHUVZGQ-UHFFFAOYSA-N 0 0 389.238 5.008 50 0 GKAARN COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000023320048 570354673 /nfs/dbraw/zinc/35/46/73/570354673.db2.gz JNMCCCDDSJZPLZ-QFIPXVFZSA-N 0 0 377.871 5.137 50 0 GKAARN Fc1ccc(/C=C/C2=NN(c3ccc(F)cc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004031132 570354845 /nfs/dbraw/zinc/35/48/45/570354845.db2.gz VTZIEUDMZRPDQQ-JVSHPESMSA-N 0 0 378.397 6.125 50 0 GKAARN Brc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1 ZINC000004021029 570354857 /nfs/dbraw/zinc/35/48/57/570354857.db2.gz OXRJNZPSRSCDCT-SFHVURJKSA-N 0 0 383.314 5.866 50 0 GKAARN Brc1ccccc1N1C[C@@H](c2ccccc2)C(c2cccs2)=N1 ZINC000004021907 570354861 /nfs/dbraw/zinc/35/48/61/570354861.db2.gz AGNKCSRZROVWNS-HNNXBMFYSA-N 0 0 383.314 5.519 50 0 GKAARN O=C(Nc1cc(F)ccc1F)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023329217 570354831 /nfs/dbraw/zinc/35/48/31/570354831.db2.gz KRBVYFMYEVZFCR-OAQYLSRUSA-N 0 0 398.840 5.798 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCc1ccccc1 ZINC000004040538 570355160 /nfs/dbraw/zinc/35/51/60/570355160.db2.gz UOVDJFQSEPRODC-UHFFFAOYSA-N 0 0 379.481 5.163 50 0 GKAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000004885996 570355258 /nfs/dbraw/zinc/35/52/58/570355258.db2.gz PLOOQOABGGBCRN-UHFFFAOYSA-N 0 0 396.899 5.981 50 0 GKAARN C[C@H](c1cccs1)N(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000023338506 570355301 /nfs/dbraw/zinc/35/53/01/570355301.db2.gz YMVZNLFSCPAPNW-QGZVFWFLSA-N 0 0 389.524 5.504 50 0 GKAARN CCOc1ccccc1NC(=O)c1cc2cc3ccc(OC)cc3nc2s1 ZINC000004886339 570355288 /nfs/dbraw/zinc/35/52/88/570355288.db2.gz ZDKBUZOIYZFSGZ-UHFFFAOYSA-N 0 0 378.453 5.109 50 0 GKAARN CCCCSC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccc(OCC)cc1 ZINC000004883228 570356356 /nfs/dbraw/zinc/35/63/56/570356356.db2.gz TUDZZPQBEQSEKC-PGMHBOJBSA-N 0 0 394.540 5.671 50 0 GKAARN Cc1ccccc1-n1c(/C=C/c2ccc(C(C)C)cc2)nc2ccccc2c1=O ZINC000004889339 570356639 /nfs/dbraw/zinc/35/66/39/570356639.db2.gz GKJGYKDOWQCASE-SAPNQHFASA-N 0 0 380.491 5.988 50 0 GKAARN O=C(C[C@@H]1C=CCC1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000023360038 570356680 /nfs/dbraw/zinc/35/66/80/570356680.db2.gz BQBLJTBKTZTOMX-JLTOFOAXSA-N 0 0 399.416 5.144 50 0 GKAARN CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000004083344 570357106 /nfs/dbraw/zinc/35/71/06/570357106.db2.gz QBDHHZLEIBPNSS-UVQPOKPKSA-N 0 0 386.576 5.722 50 0 biogenic GKAARN CC1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccccc1)=N2 ZINC000004890551 570357370 /nfs/dbraw/zinc/35/73/70/570357370.db2.gz SOUPMMMMWOXBOY-UHFFFAOYSA-N 0 0 391.540 5.166 50 0 GKAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc4ccccc4c3)c12 ZINC000006274378 570357407 /nfs/dbraw/zinc/35/74/07/570357407.db2.gz LMSHGCDDAHJPAT-UHFFFAOYSA-N 0 0 386.447 5.469 50 0 GKAARN CCCCCOC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000004105395 570357392 /nfs/dbraw/zinc/35/73/92/570357392.db2.gz YTRRLRILJSLFDB-HNNXBMFYSA-N 0 0 391.870 5.248 50 0 GKAARN Fc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCC3)cc1 ZINC000035323937 570357438 /nfs/dbraw/zinc/35/74/38/570357438.db2.gz HNRWKTXNOHZYTD-UHFFFAOYSA-N 0 0 391.877 6.125 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)N[C@H](C)c3ccccc3)nc3ccccc32)cc1 ZINC000035429730 570357615 /nfs/dbraw/zinc/35/76/15/570357615.db2.gz VKLHVDBHMVOEEU-QGZVFWFLSA-N 0 0 382.467 5.173 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000035429680 570357674 /nfs/dbraw/zinc/35/76/74/570357674.db2.gz KVNGNAVIATTXKE-UHFFFAOYSA-N 0 0 388.858 5.588 50 0 GKAARN CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=S)N1C(=O)c1ccccc1 ZINC000004891770 570357724 /nfs/dbraw/zinc/35/77/24/570357724.db2.gz MMJWWTYAFXIEOF-UHFFFAOYSA-N 0 0 377.296 5.002 50 0 GKAARN c1cc(-c2cccc(-c3ccc(-c4ccccc4)s3)c2)sc1-c1ccccc1 ZINC000004114331 570357964 /nfs/dbraw/zinc/35/79/64/570357964.db2.gz ZZBRMHSYHTXNIZ-UHFFFAOYSA-N 0 0 394.564 8.478 50 0 GKAARN CC(C)COC1=C[C@H](C/C=C/C[C@H]2C=C(OCC(C)C)CCC2=O)C(=O)CC1 ZINC000004114437 570357990 /nfs/dbraw/zinc/35/79/90/570357990.db2.gz SFDJJZLRMSVNSF-KJBZUCPPSA-N 0 0 388.548 5.394 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000004893832 570357989 /nfs/dbraw/zinc/35/79/89/570357989.db2.gz FMYWLAXGTOWEMV-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429904 570358003 /nfs/dbraw/zinc/35/80/03/570358003.db2.gz IIVAANKSFHCRNB-UHFFFAOYSA-N 0 0 388.858 5.588 50 0 GKAARN CCCCCCOc1ccc(C(=O)Oc2ccc(CCCCC)c(F)c2)cc1 ZINC000004113940 570358065 /nfs/dbraw/zinc/35/80/65/570358065.db2.gz POWCIEPROUJGJF-UHFFFAOYSA-N 0 0 386.507 6.737 50 0 GKAARN Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 ZINC000004119152 570358394 /nfs/dbraw/zinc/35/83/94/570358394.db2.gz QLVMMKVYYHBENK-FOCLMDBBSA-N 0 0 377.447 5.048 50 0 GKAARN c1ccc(Cc2nc(-c3ccccc3)c(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000004127686 570358569 /nfs/dbraw/zinc/35/85/69/570358569.db2.gz LBPGDQBNYLHQES-UHFFFAOYSA-N 0 0 398.509 7.068 50 0 GKAARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c1 ZINC000004899201 570358659 /nfs/dbraw/zinc/35/86/59/570358659.db2.gz VJRVLQLMFWKVHW-ZJSXRUAMSA-N 0 0 376.500 5.132 50 0 GKAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000008133197 570358815 /nfs/dbraw/zinc/35/88/15/570358815.db2.gz ZSTOGMQFEJBUNY-JTQLQIEISA-N 0 0 399.825 5.073 50 0 GKAARN c1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 ZINC000004898450 570359183 /nfs/dbraw/zinc/35/91/83/570359183.db2.gz UDRZLISEXTZBMW-PYLWXJQRSA-N 0 0 394.518 6.284 50 0 GKAARN CCN(C(=O)c1cc2cc3ccc(OC)cc3nc2s1)c1ccccc1C ZINC000004899920 570359222 /nfs/dbraw/zinc/35/92/22/570359222.db2.gz GGQVPZJZRIJRAC-UHFFFAOYSA-N 0 0 376.481 5.433 50 0 GKAARN O=C(c1ccccc1Nc1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023383972 570359731 /nfs/dbraw/zinc/35/97/31/570359731.db2.gz SMSZTTMGAUSOIO-DEOSSOPVSA-N 0 0 386.495 5.016 50 0 GKAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000004146221 570359844 /nfs/dbraw/zinc/35/98/44/570359844.db2.gz KKJBWYAGHOQEEX-ILBGXUMGSA-N 0 0 384.479 5.636 50 0 GKAARN COc1cc(Cl)c(C)cc1N[C@@H]1c2ccccc2C(=O)N1c1cc(C)ccn1 ZINC000004900532 570359961 /nfs/dbraw/zinc/35/99/61/570359961.db2.gz DZPBGOJQXFPJFP-NRFANRHFSA-N 0 0 393.874 5.132 50 0 GKAARN Cc1ccc(Nc2nc(-c3nnc(-c4ccc(C)cc4)o3)nc3ccccc32)cc1 ZINC000035446489 570360237 /nfs/dbraw/zinc/36/02/37/570360237.db2.gz VQTAAQZIYMWIQC-UHFFFAOYSA-N 0 0 393.450 5.707 50 0 GKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2cc(F)ccc2F)o1 ZINC000008156469 570360212 /nfs/dbraw/zinc/36/02/12/570360212.db2.gz JIUYSHNBPCFRGJ-UHFFFAOYSA-N 0 0 385.395 5.271 50 0 GKAARN O=C(Nc1ccccc1Cl)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035446638 570360372 /nfs/dbraw/zinc/36/03/72/570360372.db2.gz ZBAFSRUYWSGYOY-UHFFFAOYSA-N 0 0 392.890 5.079 50 0 biogenic GKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(Nc4cccc(C)c4)n3)o2)cc1 ZINC000035446491 570360401 /nfs/dbraw/zinc/36/04/01/570360401.db2.gz HPISZBOMNSKDJZ-UHFFFAOYSA-N 0 0 393.450 5.707 50 0 GKAARN Clc1ccc(-c2ccc([C@@H]3CC(c4ccccc4)=NN3c3ccccc3)o2)cc1 ZINC000004158720 570360561 /nfs/dbraw/zinc/36/05/61/570360561.db2.gz ISLBLCJIGPATEU-QHCPKHFHSA-N 0 0 398.893 6.956 50 0 GKAARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 ZINC000100425861 570360646 /nfs/dbraw/zinc/36/06/46/570360646.db2.gz MGARZUPAKSXWQY-FNZWTVRRSA-N 0 0 380.491 6.624 50 0 GKAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Cl)cc1 ZINC000004173974 570360840 /nfs/dbraw/zinc/36/08/40/570360840.db2.gz ZIHIVEJKJZSGRT-UHFFFAOYSA-N 0 0 378.811 5.004 50 0 GKAARN O=c1oc2ccccc2c2c1[C@@H](c1ccncc1)c1c(ccc3ccccc31)N2 ZINC000004173602 570360909 /nfs/dbraw/zinc/36/09/09/570360909.db2.gz OTPDUIMBFVVOKJ-NRFANRHFSA-N 0 0 376.415 5.578 50 0 GKAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000004904823 570361115 /nfs/dbraw/zinc/36/11/15/570361115.db2.gz PYVQEQMEMAHEQS-UHFFFAOYSA-N 0 0 377.435 5.024 50 0 GKAARN COc1ccc(N[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1Cl ZINC000006285542 570361161 /nfs/dbraw/zinc/36/11/61/570361161.db2.gz YOGZJBSDGLJHGP-QFIPXVFZSA-N 0 0 394.902 5.757 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)oc3nc2c1 ZINC000004907856 570361405 /nfs/dbraw/zinc/36/14/05/570361405.db2.gz CFOMKVSTBLARFP-UHFFFAOYSA-N 0 0 386.329 5.261 50 0 GKAARN C[C@@H](NC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2)c1ccccc1 ZINC000004907865 570361468 /nfs/dbraw/zinc/36/14/68/570361468.db2.gz LFUCKUNRGKIGLC-GOSISDBHSA-N 0 0 388.536 5.290 50 0 GKAARN Brc1cccc(N2C[C@@H](c3ccccc3)C(c3cccs3)=N2)c1 ZINC000004179082 570361613 /nfs/dbraw/zinc/36/16/13/570361613.db2.gz IIKQJIJBTVEQBZ-KRWDZBQOSA-N 0 0 383.314 5.519 50 0 GKAARN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2cccc3ccccc32)cc1 ZINC000004179205 570361619 /nfs/dbraw/zinc/36/16/19/570361619.db2.gz DXWNEBLAIMZSMI-TXKCWOHGSA-N 0 0 383.447 5.168 50 0 GKAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Cl)cc2)cc1 ZINC000004187623 570361864 /nfs/dbraw/zinc/36/18/64/570361864.db2.gz QBMNMFLASNRTLE-JOCHJYFZSA-N 0 0 397.305 6.358 50 0 GKAARN COc1ccc(Nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000004909864 570361930 /nfs/dbraw/zinc/36/19/30/570361930.db2.gz WUCHWNBMMXCLHG-HRAATJIYSA-N 0 0 389.499 5.296 50 0 GKAARN CC1(C)[C@@]2(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC[C@]1(C)C(=O)O2 ZINC000004185589 570361938 /nfs/dbraw/zinc/36/19/38/570361938.db2.gz FTVULSRTMZLZCU-YADHBBJMSA-N 0 0 399.874 5.193 50 0 GKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000004909116 570361946 /nfs/dbraw/zinc/36/19/46/570361946.db2.gz UGANGUWGWRIHAJ-QFIPXVFZSA-N 0 0 387.389 5.105 50 0 GKAARN Cc1cc(=O)oc2cc(Nc3c4c(nc5ccc(Cl)cc53)CCC4)ccc12 ZINC000004905695 570362497 /nfs/dbraw/zinc/36/24/97/570362497.db2.gz IWPINMGQHSUNED-UHFFFAOYSA-N 0 0 376.843 5.535 50 0 GKAARN Cc1cccc(C(=O)Oc2ccc(Cl)c(OC(=O)c3cccc(C)c3)c2)c1 ZINC000004199173 570362710 /nfs/dbraw/zinc/36/27/10/570362710.db2.gz JFGDOLVRNSMTFL-UHFFFAOYSA-N 0 0 380.827 5.395 50 0 GKAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1F ZINC000004199442 570362731 /nfs/dbraw/zinc/36/27/31/570362731.db2.gz AEVXTBIXYOCVNH-NRFANRHFSA-N 0 0 380.850 5.843 50 0 GKAARN CCc1ccccc1Nc1cc(C(=O)NCc2ccc(C)cc2)c2ccccc2n1 ZINC000004910239 570362776 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CCc1ccc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)cc1 ZINC000004910521 570363125 /nfs/dbraw/zinc/36/31/25/570363125.db2.gz JNVXWZCHPCVJIK-UHFFFAOYSA-N 0 0 391.515 5.086 50 0 GKAARN CCc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 ZINC000004910532 570363184 /nfs/dbraw/zinc/36/31/84/570363184.db2.gz AEADXJJAHCUPJJ-UHFFFAOYSA-N 0 0 395.506 5.513 50 0 GKAARN Cc1ccccc1Nc1cc(C(=O)NCCc2ccccc2)c2ccccc2n1 ZINC000004910884 570363198 /nfs/dbraw/zinc/36/31/98/570363198.db2.gz QBZNLKNLDIRBRT-UHFFFAOYSA-N 0 0 381.479 5.259 50 0 GKAARN COc1ccc(CNC(=O)c2cc(Nc3ccccc3C)nc3ccccc32)cc1 ZINC000004910795 570363237 /nfs/dbraw/zinc/36/32/37/570363237.db2.gz GEAZREXDWSRROR-UHFFFAOYSA-N 0 0 397.478 5.225 50 0 GKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccccc2C)cc1 ZINC000004913386 570363602 /nfs/dbraw/zinc/36/36/02/570363602.db2.gz ZSRZZEHFAORMJU-QHCPKHFHSA-N 0 0 382.463 5.245 50 0 GKAARN Fc1ccc(CSc2nc3ccncc3n2Cc2ccccc2Cl)cc1 ZINC000004914303 570363764 /nfs/dbraw/zinc/36/37/64/570363764.db2.gz 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Cc1nc2c(-c3ccc(Cl)cc3)noc2c(NC[C@@H](C)c2ccccc2)n1 ZINC000035475886 570365546 /nfs/dbraw/zinc/36/55/46/570365546.db2.gz VDAUZPGBAYRNNG-CYBMUJFWSA-N 0 0 378.863 5.462 50 0 GKAARN O=C(Nc1c(F)cc(F)cc1Br)c1ccc(Cl)c(Cl)c1 ZINC000004300034 570366402 /nfs/dbraw/zinc/36/64/02/570366402.db2.gz JCTLJVAUJCLSQZ-UHFFFAOYSA-N 0 0 381.003 5.286 50 0 GKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc3ccccc32)cc1 ZINC000004301380 570366500 /nfs/dbraw/zinc/36/65/00/570366500.db2.gz JWIKPNSCURVCHF-AZGAKELHSA-N 0 0 376.459 6.082 50 0 GKAARN CN(Cn1nc(NC2CCCCC2)sc1=S)[C@@H]1CCCc2ccccc21 ZINC000023611981 570366580 /nfs/dbraw/zinc/36/65/80/570366580.db2.gz CPFMEZSRHSQUDO-GOSISDBHSA-N 0 0 388.606 5.386 50 0 GKAARN CCCCc1ccc(Nc2ncc(C(=O)OCC)c(C(F)(F)F)n2)c(C)c1 ZINC000004307209 570366714 /nfs/dbraw/zinc/36/67/14/570366714.db2.gz DMGUADKZWNDGLX-UHFFFAOYSA-N 0 0 381.398 5.067 50 0 GKAARN Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000004301885 570366790 /nfs/dbraw/zinc/36/67/90/570366790.db2.gz 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CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)C(CC)CC)cc21 ZINC000006308355 570367338 /nfs/dbraw/zinc/36/73/38/570367338.db2.gz LVHJEYPEZJMDLO-UHFFFAOYSA-N 0 0 393.483 5.457 50 0 GKAARN O=C(NCc1c(Cl)cccc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC000004323462 570367755 /nfs/dbraw/zinc/36/77/55/570367755.db2.gz BXESCXWLWFAHCY-UHFFFAOYSA-N 0 0 388.319 6.075 50 0 GKAARN CCCc1ccc(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cc1 ZINC000004324550 570367825 /nfs/dbraw/zinc/36/78/25/570367825.db2.gz ZJLDHBPGIFIPAL-UHFFFAOYSA-N 0 0 384.932 6.285 50 0 GKAARN CC1CCN(Cc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)CC1 ZINC000004322686 570367921 /nfs/dbraw/zinc/36/79/21/570367921.db2.gz XKUXJIRHBZCWOK-UHFFFAOYSA-N 0 0 393.331 5.006 50 0 GKAARN O=C(NCc1cncc(-c2ccoc2)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575619826 570368508 /nfs/dbraw/zinc/36/85/08/570368508.db2.gz GGYXZYWYWZYEJY-UHFFFAOYSA-N 0 0 380.875 5.123 50 0 GKAARN O=C(NCc1cncc(-c2ccoc2)c1)c1cccc(Oc2ccc(F)cc2)c1 ZINC000575620043 570368688 /nfs/dbraw/zinc/36/86/88/570368688.db2.gz 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O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]12N=NC[C@H]2c1ccc(Cl)cc1 ZINC000004343403 570369601 /nfs/dbraw/zinc/36/96/01/570369601.db2.gz OAQHVOFDSXZHLQ-PMOQBDJRSA-N 0 0 388.854 5.645 50 0 GKAARN Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004921879 570369629 /nfs/dbraw/zinc/36/96/29/570369629.db2.gz ZUVFQKUDYNBCLG-UHFFFAOYSA-N 0 0 377.469 5.194 50 0 GKAARN CCc1cccc(CC)c1Nc1nc2c(s1)c(Cl)c(Cl)cc2Cl ZINC000004347921 570369935 /nfs/dbraw/zinc/36/99/35/570369935.db2.gz CZWQXQUTRNHPRA-UHFFFAOYSA-N 0 0 385.747 7.125 50 0 GKAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccccn2)c1 ZINC000390831600 570370116 /nfs/dbraw/zinc/37/01/16/570370116.db2.gz STYHFWRUJNBDIF-SFHVURJKSA-N 0 0 384.545 5.400 50 0 GKAARN COc1ccc(NC(=O)CSc2c3c(nc4ccccc42)CCC3)cc1Cl ZINC000004923686 570370266 /nfs/dbraw/zinc/37/02/66/570370266.db2.gz VKNLAQJZWITYBF-UHFFFAOYSA-N 0 0 398.915 5.116 50 0 GKAARN COc1cc(OC)c(Nc2c3c(nc4ccc(Cl)cc42)CCC3)cc1Cl ZINC000004924158 570370528 /nfs/dbraw/zinc/37/05/28/570370528.db2.gz 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Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCCCC1)CCCC2 ZINC000004568495 570385033 /nfs/dbraw/zinc/38/50/33/570385033.db2.gz AYLCRVZOYBTMDU-UHFFFAOYSA-N 0 0 396.556 5.204 50 0 GKAARN Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970031 570385083 /nfs/dbraw/zinc/38/50/83/570385083.db2.gz LRXZHLJZMFLFLM-UHFFFAOYSA-N 0 0 377.491 6.474 50 0 GKAARN COc1ccc(C(C)=O)cc1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000024527351 570385174 /nfs/dbraw/zinc/38/51/74/570385174.db2.gz SICKOOQTLUTRNR-OAQYLSRUSA-N 0 0 383.538 5.169 50 0 GKAARN COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970137 570385323 /nfs/dbraw/zinc/38/53/23/570385323.db2.gz LXVLPXQYVKDCCR-UHFFFAOYSA-N 0 0 393.490 6.175 50 0 GKAARN CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc(F)c4)c3c2c1 ZINC000004970173 570385385 /nfs/dbraw/zinc/38/53/85/570385385.db2.gz SWONKKDKWUBRLH-UHFFFAOYSA-N 0 0 397.453 6.087 50 0 GKAARN COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)cc1 ZINC000004970192 570385441 /nfs/dbraw/zinc/38/54/41/570385441.db2.gz 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ZINC000004599086 570386850 /nfs/dbraw/zinc/38/68/50/570386850.db2.gz SGJUTBFCZLFMRW-CQSZACIVSA-N 0 0 391.298 5.108 50 0 GKAARN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc(C)ccc3C)c2c1 ZINC000004610373 570387424 /nfs/dbraw/zinc/38/74/24/570387424.db2.gz JKTYAFBFKLLJHO-UHFFFAOYSA-N 0 0 380.491 6.333 50 0 GKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000004611741 570387643 /nfs/dbraw/zinc/38/76/43/570387643.db2.gz CNXVPVQONQWZQX-UHFFFAOYSA-N 0 0 399.277 5.806 50 0 GKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004615065 570387973 /nfs/dbraw/zinc/38/79/73/570387973.db2.gz KNNCEEOPXYBUNT-UHFFFAOYSA-N 0 0 377.532 5.012 50 0 GKAARN COC(=O)CCCCCCCCCCNC(=O)c1cc(F)c(F)cc1Cl ZINC000004614923 570388000 /nfs/dbraw/zinc/38/80/00/570388000.db2.gz BIOKLMXHEFBUGO-UHFFFAOYSA-N 0 0 389.870 5.032 50 0 GKAARN CCCCc1ccc(N2C[C@@H](C(=O)Nc3c(CC)cccc3CC)CC2=O)cc1 ZINC000004616151 570388015 /nfs/dbraw/zinc/38/80/15/570388015.db2.gz ICCIPWDOEJCEDX-NRFANRHFSA-N 0 0 392.543 5.146 50 0 GKAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000526052258 570388216 /nfs/dbraw/zinc/38/82/16/570388216.db2.gz KYOKLQDBQVVOMS-UHFFFAOYSA-N 0 0 396.244 5.146 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000004622289 570388277 /nfs/dbraw/zinc/38/82/77/570388277.db2.gz JHGAESJFFVPQRJ-UHFFFAOYSA-N 0 0 391.515 5.973 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1-c1ccccc1 ZINC000004619536 570388318 /nfs/dbraw/zinc/38/83/18/570388318.db2.gz UKBGEDUMUVGZGK-UHFFFAOYSA-N 0 0 388.854 6.223 50 0 GKAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c(-c3ccccc3)csc21 ZINC000035511611 570388348 /nfs/dbraw/zinc/38/83/48/570388348.db2.gz FZXHDCWBBRGZGG-MRXNPFEDSA-N 0 0 379.481 5.297 50 0 GKAARN Cc1cccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3cccc(C)c3)C2=O)c1 ZINC000004628728 570388667 /nfs/dbraw/zinc/38/86/67/570388667.db2.gz UQJVXSHRNNOGNJ-AREMUKBSSA-N 0 0 396.534 6.511 50 0 GKAARN O=C1C[C@H](c2cccc(Br)c2)c2scc(-c3ccccc3)c2N1 ZINC000035511612 570388691 /nfs/dbraw/zinc/38/86/91/570388691.db2.gz 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ZINC000004649857 570389461 /nfs/dbraw/zinc/38/94/61/570389461.db2.gz GCEKHHGXCGEYIV-UHFFFAOYSA-N 0 0 376.847 5.607 50 0 GKAARN O=C1[C@@H]2C=C(c3ccccc3)S[C@]2(c2ccccc2)c2nc3ccccc3n21 ZINC000004649806 570389476 /nfs/dbraw/zinc/38/94/76/570389476.db2.gz NVDNIASDSUXYAW-UUOWRZLLSA-N 0 0 380.472 5.338 50 0 GKAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000035515030 570389501 /nfs/dbraw/zinc/38/95/01/570389501.db2.gz FKYAYCAEWNMDQU-KRWDZBQOSA-N 0 0 383.451 5.011 50 0 GKAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](Sc1ccccc1)c1ccccc1 ZINC000004652364 570389721 /nfs/dbraw/zinc/38/97/21/570389721.db2.gz FEBMTBCAYYMSQQ-SOSWSAFESA-N 0 0 377.553 5.605 50 0 GKAARN COc1cc2c(cc1NC(=O)c1ccccc1OC(F)F)oc1ccccc12 ZINC000004652248 570389743 /nfs/dbraw/zinc/38/97/43/570389743.db2.gz RBCXFBLDDSUDNM-UHFFFAOYSA-N 0 0 383.350 5.448 50 0 GKAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cccc(C)c3C)cc12 ZINC000006339827 570389816 /nfs/dbraw/zinc/38/98/16/570389816.db2.gz KMDPEYFVYVUHIX-UHFFFAOYSA-N 0 0 393.487 5.463 50 0 GKAARN Cc1ccc([C@@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@@H]3c2ccccc2)cc1 ZINC000004659037 570390088 /nfs/dbraw/zinc/39/00/88/570390088.db2.gz HBDPEZFBCAFRLQ-FMNCTDSISA-N 0 0 385.532 5.905 50 0 GKAARN CCOc1ccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1C ZINC000004660129 570390230 /nfs/dbraw/zinc/39/02/30/570390230.db2.gz BVNSYGCPYAYLBT-UHFFFAOYSA-N 0 0 380.491 6.537 50 0 GKAARN CN(C)c1ccc(CCC(=O)Nc2ccccc2SCc2ccsc2)cc1 ZINC000024707846 570390372 /nfs/dbraw/zinc/39/03/72/570390372.db2.gz DWEFIIKTDZQENC-UHFFFAOYSA-N 0 0 396.581 5.678 50 0 GKAARN C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@H](OC(=O)c4ccccc4)CC[C@]3(C)[C@H]1CC2 ZINC000004660224 570390409 /nfs/dbraw/zinc/39/04/09/570390409.db2.gz TYIHIKBNILWRFK-KMYZZSPRSA-N 0 0 378.556 6.421 50 0 GKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004660179 570390428 /nfs/dbraw/zinc/39/04/28/570390428.db2.gz KENBMGLNKHDSFE-NZQKXSOJSA-N 0 0 390.508 5.779 50 0 GKAARN CCc1ccccc1NC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000035536374 570390487 /nfs/dbraw/zinc/39/04/87/570390487.db2.gz OZULGSPOWRZLHP-UHFFFAOYSA-N 0 0 385.261 5.227 50 0 GKAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(C)c(F)c1 ZINC000035536432 570390549 /nfs/dbraw/zinc/39/05/49/570390549.db2.gz HXRCYJMKEJSULW-UHFFFAOYSA-N 0 0 389.224 5.112 50 0 GKAARN CCCCC(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2OC)cc1 ZINC000004661534 570390719 /nfs/dbraw/zinc/39/07/19/570390719.db2.gz AHHLPPJMYVJEPN-UHFFFAOYSA-N 0 0 381.303 5.743 50 0 GKAARN O=C(CCNc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000012360498 570391113 /nfs/dbraw/zinc/39/11/13/570391113.db2.gz CQHJOHVRMXDBBJ-UHFFFAOYSA-N 0 0 386.495 5.151 50 0 GKAARN Cc1cccc(OCc2nn3c(nnc3-c3ccc(C(C)(C)C)cc3)s2)c1 ZINC000004664900 570391160 /nfs/dbraw/zinc/39/11/60/570391160.db2.gz QYZAHIPWPROYMQ-UHFFFAOYSA-N 0 0 378.501 5.038 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(Sc3ccc(O)cc3)cc2)cc1 ZINC000004666519 570391181 /nfs/dbraw/zinc/39/11/81/570391181.db2.gz ZBSKMEOWNJLRKS-UHFFFAOYSA-N 0 0 378.493 6.060 50 0 GKAARN O=C(c1ccccc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1Cl ZINC000004665078 570391213 /nfs/dbraw/zinc/39/12/13/570391213.db2.gz PXOBSIKPNHLHFA-OFNKIYASSA-N 0 0 386.882 5.504 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000004666481 570391240 /nfs/dbraw/zinc/39/12/40/570391240.db2.gz GJOSAFOCDBVXTP-UHFFFAOYSA-N 0 0 388.250 5.803 50 0 GKAARN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl ZINC000004667057 570391420 /nfs/dbraw/zinc/39/14/20/570391420.db2.gz OICOFAVPTWFKGP-UHFFFAOYSA-N 0 0 388.316 5.100 50 0 GKAARN O=C(Oc1ccc(Br)cc1Br)c1ccccc1Cl ZINC000004666852 570391425 /nfs/dbraw/zinc/39/14/25/570391425.db2.gz CGRQDSHXUSPPAH-UHFFFAOYSA-N 0 0 390.458 5.084 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3C(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004666784 570391508 /nfs/dbraw/zinc/39/15/08/570391508.db2.gz CPAUUYSBSATDDQ-AFRLTHKQSA-N 0 0 386.620 6.466 50 0 GKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000004995481 570391705 /nfs/dbraw/zinc/39/17/05/570391705.db2.gz WESQJLMPQCRDEJ-QFIPXVFZSA-N 0 0 390.870 5.340 50 0 GKAARN Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000006341935 570391783 /nfs/dbraw/zinc/39/17/83/570391783.db2.gz XYNUROOVYSPRLQ-UHFFFAOYSA-N 0 0 375.453 5.334 50 0 GKAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc(COc2ccccc2)cc1 ZINC000006343007 570391939 /nfs/dbraw/zinc/39/19/39/570391939.db2.gz BKEUXXNPSIHMEI-UHFFFAOYSA-N 0 0 378.428 5.267 50 0 GKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000004675156 570392082 /nfs/dbraw/zinc/39/20/82/570392082.db2.gz SBYSRIPKIDETEL-UHFFFAOYSA-N 0 0 386.923 5.255 50 0 GKAARN C/C(=C/C(=O)n1nc(-c2ccccc2)c2c1[C@@H](C(C)C)CC[C@@H]2C)c1ccccc1 ZINC000004671452 570392113 /nfs/dbraw/zinc/39/21/13/570392113.db2.gz NEOLYGWYOAJSFY-VNVRIYADSA-N 0 0 398.550 6.931 50 0 GKAARN CCN(c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1)C(C)C ZINC000024763507 570392393 /nfs/dbraw/zinc/39/23/93/570392393.db2.gz JYFAFXSTYJTZDF-KRWDZBQOSA-N 0 0 389.543 5.780 50 0 GKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([C@@H](C)CC)cc2)c1 ZINC000004679957 570392454 /nfs/dbraw/zinc/39/24/54/570392454.db2.gz AUVJYQSOROEAMR-AWEZNQCLSA-N 0 0 388.895 5.220 50 0 GKAARN O=C(NC1CCCCC1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035527223 570392626 /nfs/dbraw/zinc/39/26/26/570392626.db2.gz JHASOQLRZJJSEY-UHFFFAOYSA-N 0 0 391.446 5.138 50 0 GKAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000004686584 570393156 /nfs/dbraw/zinc/39/31/56/570393156.db2.gz WGBVGEACRNRQHE-DYESRHJHSA-N 0 0 392.499 5.124 50 0 GKAARN C[C@H](CNC(=O)CC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2 ZINC000004685994 570393181 /nfs/dbraw/zinc/39/31/81/570393181.db2.gz NXXAEJGVFKDDPI-IYNZRFGGSA-N 0 0 385.592 5.083 50 0 GKAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1(C)C ZINC000004686572 570393249 /nfs/dbraw/zinc/39/32/49/570393249.db2.gz XPCIBMOVRSBQDM-QUCCMNQESA-N 0 0 380.463 5.255 50 0 GKAARN O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCc2ccccc21 ZINC000024776999 570393312 /nfs/dbraw/zinc/39/33/12/570393312.db2.gz YENCACIBJCSWCG-UHFFFAOYSA-N 0 0 385.492 5.058 50 0 GKAARN CC[C@@H](C)n1cc(/C=C2/SC(=O)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000004687794 570393322 /nfs/dbraw/zinc/39/33/22/570393322.db2.gz NIVYKVYCNRDGTG-MQMKENTISA-N 0 0 394.471 5.992 50 0 GKAARN CC(C)COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000004689068 570393327 /nfs/dbraw/zinc/39/33/27/570393327.db2.gz BHBMNCYJWCHONY-UHFFFAOYSA-N 0 0 394.496 5.288 50 0 GKAARN Cc1ccccc1[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000033668125 570393406 /nfs/dbraw/zinc/39/34/06/570393406.db2.gz BOMURZHGWXKMQH-SANMLTNESA-N 0 0 392.502 5.709 50 0 GKAARN CC(C)c1sc(NC(=O)c2cccc(C[S@](C)=O)c2)nc1-c1ccccc1 ZINC000032743106 570393479 /nfs/dbraw/zinc/39/34/79/570393479.db2.gz JFMQWQHPPNCBLT-HHHXNRCGSA-N 0 0 398.553 5.064 50 0 GKAARN Cc1cc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1 ZINC000024805829 570393576 /nfs/dbraw/zinc/39/35/76/570393576.db2.gz KTSZIFIHEIEARM-UHFFFAOYSA-N 0 0 392.890 5.121 50 0 GKAARN CC[C@@](C)(Nc1cccc(C(F)(F)F)c1)c1nnnn1-c1c(C)cccc1C ZINC000005003529 570393542 /nfs/dbraw/zinc/39/35/42/570393542.db2.gz IUJJREBIRNJKRU-LJQANCHMSA-N 0 0 389.425 5.035 50 0 GKAARN Cc1cc(S[C@H](C)C(=O)c2ccc(Br)cc2)nc2ccccc12 ZINC000006330656 570393770 /nfs/dbraw/zinc/39/37/70/570393770.db2.gz KZQDWYHQTFYKBD-CYBMUJFWSA-N 0 0 386.314 5.669 50 0 GKAARN O=C(/C=C/c1ccco1)N[C@@H](c1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000004695529 570393847 /nfs/dbraw/zinc/39/38/47/570393847.db2.gz DPJOSLIUBBNYMU-FPBAGDOUSA-N 0 0 379.459 5.450 50 0 GKAARN Clc1ccccc1NC=CC1=NN=N[C@H]1c1ccc(Br)cc1 ZINC000004697387 570394217 /nfs/dbraw/zinc/39/42/17/570394217.db2.gz JQDGRGVKFXJHGE-YDZSZYSISA-N 0 0 375.657 5.591 50 0 GKAARN FC(F)(F)COc1ccc(Cl)cc1NCc1nc(-c2ccsc2)no1 ZINC000024830782 570394742 /nfs/dbraw/zinc/39/47/42/570394742.db2.gz YGPJUUGCDXRPTO-UHFFFAOYSA-N 0 0 389.786 5.005 50 0 GKAARN COc1cc(Cl)ccc1C(=O)Nc1cccc(-c2noc(C3CCCC3)n2)c1 ZINC000035552410 570394840 /nfs/dbraw/zinc/39/48/40/570394840.db2.gz FGQOHVTVJLNULF-UHFFFAOYSA-N 0 0 397.862 5.309 50 0 GKAARN c1ccc2c(c1)oc1c2ncnc1Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006347006 570394848 /nfs/dbraw/zinc/39/48/48/570394848.db2.gz NHBGKZFNQAFDAO-UHFFFAOYSA-N 0 0 395.506 6.587 50 0 GKAARN COC(=O)c1sc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1C ZINC000005008972 570394876 /nfs/dbraw/zinc/39/48/76/570394876.db2.gz KOVKWTFYWXJUNN-UHFFFAOYSA-N 0 0 391.452 5.322 50 0 GKAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc2c1CCCC2 ZINC000004700932 570394849 /nfs/dbraw/zinc/39/48/49/570394849.db2.gz PDSMOJVAYWPKRB-UHFFFAOYSA-N 0 0 378.299 5.670 50 0 GKAARN C/C=C/c1ccc(OCCOCCOc2c(Cl)cccc2Cl)c(OC)c1 ZINC000004701770 570394980 /nfs/dbraw/zinc/39/49/80/570394980.db2.gz ZBFWKYBRVBIUKM-HWKANZROSA-N 0 0 397.298 5.510 50 0 GKAARN c1c2ccccc2oc1[C@@H](NCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000024835035 570395167 /nfs/dbraw/zinc/39/51/67/570395167.db2.gz JBZSUPWNMWIROB-QHCPKHFHSA-N 0 0 381.435 5.362 50 0 GKAARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2OC(F)F)c1 ZINC000024837186 570395248 /nfs/dbraw/zinc/39/52/48/570395248.db2.gz NTCXUDHZAQCRJU-UHFFFAOYSA-N 0 0 397.381 5.184 50 0 GKAARN O=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)Nc1ccc(F)c(Cl)c1 ZINC000035553281 570395243 /nfs/dbraw/zinc/39/52/43/570395243.db2.gz IOJYDAKLQDRCBH-UHFFFAOYSA-N 0 0 386.814 5.441 50 0 GKAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000035554893 570395580 /nfs/dbraw/zinc/39/55/80/570395580.db2.gz PHCAURARVKQRRP-UHFFFAOYSA-N 0 0 381.501 5.534 50 0 GKAARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)Cc1ccccc1 ZINC000004703984 570395611 /nfs/dbraw/zinc/39/56/11/570395611.db2.gz AWPPUVFVAUWAAV-UHFFFAOYSA-N 0 0 392.462 5.063 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1 ZINC000035555111 570395878 /nfs/dbraw/zinc/39/58/78/570395878.db2.gz GAGPHFQTBSYXCS-UHFFFAOYSA-N 0 0 383.473 5.025 50 0 GKAARN Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000004705015 570395974 /nfs/dbraw/zinc/39/59/74/570395974.db2.gz HMFVPULDBYHLAW-UHFFFAOYSA-N 0 0 387.792 6.068 50 0 GKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccc4)n3)o2)c1 ZINC000035560814 570396713 /nfs/dbraw/zinc/39/67/13/570396713.db2.gz PKGVKOCAKLZRAL-UHFFFAOYSA-N 0 0 393.450 5.267 50 0 GKAARN CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1C1CC1 ZINC000032913774 570396829 /nfs/dbraw/zinc/39/68/29/570396829.db2.gz WABGERMXUGHACS-UHFFFAOYSA-N 0 0 390.965 5.168 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000024864930 570396812 /nfs/dbraw/zinc/39/68/12/570396812.db2.gz LTMVJXZFBPNSRA-UHFFFAOYSA-N 0 0 376.840 5.075 50 0 GKAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 ZINC000035561245 570397119 /nfs/dbraw/zinc/39/71/19/570397119.db2.gz TUICRXOTOBJQEZ-UHFFFAOYSA-N 0 0 390.483 5.434 50 0 GKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000004715909 570397168 /nfs/dbraw/zinc/39/71/68/570397168.db2.gz GSZYCJOQZHGZME-UNMCSNQZSA-N 0 0 396.824 5.861 50 0 GKAARN Brc1ccc(N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 ZINC000004712877 570397196 /nfs/dbraw/zinc/39/71/96/570397196.db2.gz 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ZINC000032960537 570397646 /nfs/dbraw/zinc/39/76/46/570397646.db2.gz CKUGXKMJDQTSBC-UHFFFAOYSA-N 0 0 380.854 5.882 50 0 GKAARN COc1cccc(-n2c(/C=C\c3ccccc3Cl)nc3ccccc3c2=O)c1 ZINC000004724552 570397733 /nfs/dbraw/zinc/39/77/33/570397733.db2.gz WPKYGSGLTHLHNP-YPKPFQOOSA-N 0 0 388.854 5.218 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCCc3ccccc3)s2)cc1 ZINC000035563591 570397746 /nfs/dbraw/zinc/39/77/46/570397746.db2.gz HVAASAPPVIVADS-UHFFFAOYSA-N 0 0 397.569 5.423 50 0 GKAARN Cc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000005020504 570397881 /nfs/dbraw/zinc/39/78/81/570397881.db2.gz XWOXCSNGJFGVAT-UHFFFAOYSA-N 0 0 383.314 5.725 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000004723361 570397928 /nfs/dbraw/zinc/39/79/28/570397928.db2.gz YOPSAHFKVPNRGK-CQSZACIVSA-N 0 0 387.262 6.033 50 0 GKAARN Fc1ccc(-c2cn3cc(Cc4ccc(Cl)c(Cl)c4)sc3n2)cc1 ZINC000005020496 570397921 /nfs/dbraw/zinc/39/79/21/570397921.db2.gz MIKMBUZEMACKOI-UHFFFAOYSA-N 0 0 377.271 6.100 50 0 GKAARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(/C=C/c3ccccc3)s2)cc1 ZINC000004725351 570398204 /nfs/dbraw/zinc/39/82/04/570398204.db2.gz DQGAMLSPQZEJRE-NTEUORMPSA-N 0 0 378.501 5.650 50 0 GKAARN COc1ccccc1-n1c(/C=C\c2ccccc2Cl)nc2ccccc2c1=O ZINC000004725237 570398311 /nfs/dbraw/zinc/39/83/11/570398311.db2.gz NFZXEKJJGDVASO-PFONDFGASA-N 0 0 388.854 5.218 50 0 GKAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000004727324 570398501 /nfs/dbraw/zinc/39/85/01/570398501.db2.gz CVLAOSZLEOUEEU-UHFFFAOYSA-N 0 0 386.904 5.335 50 0 GKAARN Fc1ccc([C@H]2CC(c3cccs3)=NN2c2cc(Cl)ccc2Cl)cc1 ZINC000004725711 570398514 /nfs/dbraw/zinc/39/85/14/570398514.db2.gz OTUDETUUPZJCPS-QGZVFWFLSA-N 0 0 391.298 6.550 50 0 GKAARN COc1ccc(-n2c(/C=C/c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 ZINC000004725815 570398583 /nfs/dbraw/zinc/39/85/83/570398583.db2.gz UVBPJUDHWSVNFU-XNTDXEJSSA-N 0 0 393.446 5.046 50 0 GKAARN Fc1ccc([C@@H]2CC(c3cccs3)=NN2c2cc(Cl)ccc2Cl)cc1 ZINC000004725710 570398599 /nfs/dbraw/zinc/39/85/99/570398599.db2.gz 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570399620 /nfs/dbraw/zinc/39/96/20/570399620.db2.gz BETZZIKVHHJDDK-UHFFFAOYSA-N 0 0 399.947 5.576 50 0 GKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cccnc2)nn1 ZINC000033086762 570400080 /nfs/dbraw/zinc/40/00/80/570400080.db2.gz PHRDWYCOZRXDQA-UHFFFAOYSA-N 0 0 382.539 5.324 50 0 GKAARN Cc1ccc(OCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1C ZINC000032995763 570400087 /nfs/dbraw/zinc/40/00/87/570400087.db2.gz CQLSONXSKHJIKM-UHFFFAOYSA-N 0 0 380.513 5.370 50 0 GKAARN COc1ccccc1CNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12 ZINC000033036682 570400114 /nfs/dbraw/zinc/40/01/14/570400114.db2.gz DTTSMNBCRJINIE-UHFFFAOYSA-N 0 0 382.463 5.149 50 0 GKAARN CCC[C@@H](C)c1nnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 ZINC000004740476 570400547 /nfs/dbraw/zinc/40/05/47/570400547.db2.gz SEJKGFHKKWHQMR-QAPCUYQASA-N 0 0 397.569 5.914 50 0 GKAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 ZINC000005030875 570400657 /nfs/dbraw/zinc/40/06/57/570400657.db2.gz VZEDFCWIJYEVBP-AMGIVPHBSA-N 0 0 389.476 5.287 50 0 GKAARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000004740449 570400716 /nfs/dbraw/zinc/40/07/16/570400716.db2.gz VRPSMGUDWDTLGB-UHFFFAOYSA-N 0 0 378.394 5.332 50 0 GKAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000005030815 570400782 /nfs/dbraw/zinc/40/07/82/570400782.db2.gz IHEKCSLAZNYVKJ-IBVKSMDESA-N 0 0 395.867 5.063 50 0 GKAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc21 ZINC000004741890 570401253 /nfs/dbraw/zinc/40/12/53/570401253.db2.gz SWVGZXPMYAEXMF-QFIPXVFZSA-N 0 0 383.451 5.042 50 0 GKAARN CCOc1ccccc1NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124096 570401534 /nfs/dbraw/zinc/40/15/34/570401534.db2.gz YCQYAEFBJGTLTE-UHFFFAOYSA-N 0 0 389.480 6.006 50 0 GKAARN CCc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033128648 570401839 /nfs/dbraw/zinc/40/18/39/570401839.db2.gz VQVJIIGGJGABIP-UHFFFAOYSA-N 0 0 399.494 5.404 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccccc4C)cn3)cc2)cc1 ZINC000033139256 570401915 /nfs/dbraw/zinc/40/19/15/570401915.db2.gz 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Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000005035453 570403953 /nfs/dbraw/zinc/40/39/53/570403953.db2.gz VUVLCKXYYGMQSY-UHFFFAOYSA-N 0 0 388.398 5.385 50 0 GKAARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1ccccc1F ZINC000005035462 570403962 /nfs/dbraw/zinc/40/39/62/570403962.db2.gz SSNOMZNLQMCJGV-UHFFFAOYSA-N 0 0 392.361 5.216 50 0 GKAARN COc1ccccc1NC1(c2nnnn2-c2ccc(C(C)C)cc2)CCCCC1 ZINC000035622304 570404084 /nfs/dbraw/zinc/40/40/84/570404084.db2.gz DSMZZUDQHQHFEI-UHFFFAOYSA-N 0 0 391.519 5.066 50 0 GKAARN O=S(=O)(NC[C@H](c1ccccc1)C1CCCCC1)c1ccc2ccccc2c1 ZINC000004761362 570404449 /nfs/dbraw/zinc/40/44/49/570404449.db2.gz FDHKTRHMYYNWJY-XMMPIXPASA-N 0 0 393.552 5.482 50 0 GKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)cc2)N3)C1 ZINC000006396190 570404493 /nfs/dbraw/zinc/40/44/93/570404493.db2.gz KCDHDASIRYJFQS-AUUYWEPGSA-N 0 0 384.545 5.727 50 0 GKAARN CCCNC(=O)Nc1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1 ZINC000033257134 570404561 /nfs/dbraw/zinc/40/45/61/570404561.db2.gz 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ZINC000000834956 570405021 /nfs/dbraw/zinc/40/50/21/570405021.db2.gz CMVBLGVAGPWGPB-UHFFFAOYSA-N 0 0 390.826 5.591 50 0 GKAARN COc1ccc([C@H]2CC(c3ccccc3)=Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000004776922 570405025 /nfs/dbraw/zinc/40/50/25/570405025.db2.gz NGEIVCREGMWGOV-XMMPIXPASA-N 0 0 393.490 5.981 50 0 GKAARN Cc1ccc(NC(=O)c2nnc(CSc3nc4ccccc4s3)s2)cc1 ZINC000025061094 570405083 /nfs/dbraw/zinc/40/50/83/570405083.db2.gz HLEMUNBADYPQJE-UHFFFAOYSA-N 0 0 398.538 5.001 50 0 GKAARN Cc1ccc(N2C(=S)N=NC2CSCc2ccccc2C)cc1Cl ZINC000006401685 570405073 /nfs/dbraw/zinc/40/50/73/570405073.db2.gz JKLXTJVIEIXJHA-UHFFFAOYSA-N 0 0 375.950 5.260 50 0 GKAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1csc(-c2ccsc2)n1 ZINC000025063355 570405122 /nfs/dbraw/zinc/40/51/22/570405122.db2.gz XQNQFBKGCGKGJQ-UHFFFAOYSA-N 0 0 384.482 5.165 50 0 GKAARN Cc1cccc(NC(=O)c2cc(-c3ccccc3C)nc3c(Cl)cccc23)n1 ZINC000006401892 570405135 /nfs/dbraw/zinc/40/51/35/570405135.db2.gz SJFNCHGINDWIRS-UHFFFAOYSA-N 0 0 387.870 5.819 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)NCc2ccccn2)c2cccc(Cl)c2n1 ZINC000006401885 570405172 /nfs/dbraw/zinc/40/51/72/570405172.db2.gz CTXKEKOTPGJEDP-UHFFFAOYSA-N 0 0 387.870 5.189 50 0 GKAARN Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cccc(C)c3n2)cc1C ZINC000006401596 570405176 /nfs/dbraw/zinc/40/51/76/570405176.db2.gz HMXJWWALVXDAEO-UHFFFAOYSA-N 0 0 381.479 5.152 50 0 GKAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)c(OC)c1 ZINC000005043417 570405237 /nfs/dbraw/zinc/40/52/37/570405237.db2.gz GUDQEHUCYIHDIL-UHFFFAOYSA-N 0 0 386.860 5.173 50 0 GKAARN Fc1cc(Cl)c(CSc2nn(-c3ccccc3)c(=S)s2)cc1F ZINC000004779448 570405361 /nfs/dbraw/zinc/40/53/61/570405361.db2.gz KRMNYJYSTIBKEZ-UHFFFAOYSA-N 0 0 386.901 5.887 50 0 GKAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024695675 570405657 /nfs/dbraw/zinc/40/56/57/570405657.db2.gz QEDDKWJMSZRVDK-CYBMUJFWSA-N 0 0 380.444 5.201 50 0 GKAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc1 ZINC000005049879 570405654 /nfs/dbraw/zinc/40/56/54/570405654.db2.gz 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ZINC000005051349 570406656 /nfs/dbraw/zinc/40/66/56/570406656.db2.gz LKTZXSHGBDWKLV-UHFFFAOYSA-N 0 0 381.522 5.002 50 0 GKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc(F)ccc1C ZINC000012983023 570406844 /nfs/dbraw/zinc/40/68/44/570406844.db2.gz NNPSGBYZMKMLRE-UHFFFAOYSA-N 0 0 390.867 5.384 50 0 GKAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2nccnc2c1 ZINC000004810961 570407394 /nfs/dbraw/zinc/40/73/94/570407394.db2.gz LRMVHENXMOQTHO-UHFFFAOYSA-N 0 0 375.815 5.328 50 0 GKAARN Cc1ccc(-c2nnc(-c3ccc(NC(=O)COc4cccc(C)c4)cc3)o2)cc1 ZINC000004813927 570407671 /nfs/dbraw/zinc/40/76/71/570407671.db2.gz PABRXRDXKHZRPP-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000004811678 570407718 /nfs/dbraw/zinc/40/77/18/570407718.db2.gz ZWGDBUNMHUYOIW-GMAHTHKFSA-N 0 0 390.870 5.591 50 0 GKAARN CCOc1c(Cl)cc(C(=O)Nc2nc3ccc(C)cc3s2)cc1Cl ZINC000004813565 570407747 /nfs/dbraw/zinc/40/77/47/570407747.db2.gz RHUNKZHZKLTWEO-UHFFFAOYSA-N 0 0 381.284 5.563 50 0 GKAARN O=C(CCc1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 ZINC000004820861 570408604 /nfs/dbraw/zinc/40/86/04/570408604.db2.gz RYFVSYYOBYWJMR-UHFFFAOYSA-N 0 0 384.504 6.048 50 0 GKAARN COC(=O)Nc1ccc(NCc2cc(C)c(OCc3ccccn3)c(C)c2)cc1 ZINC000123157904 570408715 /nfs/dbraw/zinc/40/87/15/570408715.db2.gz ONOUKPSXLAHSCW-UHFFFAOYSA-N 0 0 391.471 5.068 50 0 GKAARN O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)Nc1cccc(F)c1 ZINC000032978794 570409075 /nfs/dbraw/zinc/40/90/75/570409075.db2.gz IYANGHUMYAIXDE-UHFFFAOYSA-N 0 0 394.496 5.859 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)c1ccccc1 ZINC000004828812 570409133 /nfs/dbraw/zinc/40/91/33/570409133.db2.gz LIVKCDWBRFGWSX-JOCHJYFZSA-N 0 0 397.478 5.844 50 0 GKAARN Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000005061295 570409427 /nfs/dbraw/zinc/40/94/27/570409427.db2.gz FUHZOSFGLFYCIN-UHFFFAOYSA-N 0 0 396.446 5.006 50 0 GKAARN O=C(Nc1ccc(F)cc1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004833299 570409461 /nfs/dbraw/zinc/40/94/61/570409461.db2.gz 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570411247 /nfs/dbraw/zinc/41/12/47/570411247.db2.gz ZXGZVFWGBSAUIA-UHFFFAOYSA-N 0 0 388.920 5.166 50 0 GKAARN CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1OCc1ccccc1 ZINC000004845209 570411551 /nfs/dbraw/zinc/41/15/51/570411551.db2.gz WDCXPZBFKHEWEM-SDNWHVSQSA-N 0 0 397.474 6.089 50 0 GKAARN Clc1ccc(-c2csc3ncnc(NCc4cn5ccccc5n4)c23)cc1 ZINC000025347542 570411831 /nfs/dbraw/zinc/41/18/31/570411831.db2.gz JHKLHVPRKFASSG-UHFFFAOYSA-N 0 0 391.887 5.272 50 0 GKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 ZINC000005070887 570412366 /nfs/dbraw/zinc/41/23/66/570412366.db2.gz PUVRCEYHNUEIAR-DOMZBBRYSA-N 0 0 395.500 5.113 50 0 GKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000004854196 570412376 /nfs/dbraw/zinc/41/23/76/570412376.db2.gz QLTHEAUBVAFHOR-GHTZIAJQSA-N 0 0 380.900 5.952 50 0 GKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000004854043 570412417 /nfs/dbraw/zinc/41/24/17/570412417.db2.gz GXWXUVHDWZHDTI-PZJWPPBQSA-N 0 0 396.277 5.631 50 0 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O=C(Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)c1ccccc1 ZINC000001770854 570422841 /nfs/dbraw/zinc/42/28/41/570422841.db2.gz HJQMVWYOGJWPDE-UHFFFAOYSA-N 0 0 376.795 5.333 50 0 GKAARN Cc1ccc(-c2csc3ncn(Cc4ccccc4Cl)c(=O)c23)cc1C ZINC000001778495 570422993 /nfs/dbraw/zinc/42/29/93/570422993.db2.gz UXHJBNGNGBEJGE-UHFFFAOYSA-N 0 0 380.900 5.444 50 0 GKAARN CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001775069 570423113 /nfs/dbraw/zinc/42/31/13/570423113.db2.gz NVNMXZJHBWZPLY-UHFFFAOYSA-N 0 0 388.803 5.554 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000026158828 570423063 /nfs/dbraw/zinc/42/30/63/570423063.db2.gz PMXCNRIWLKOWFU-UHFFFAOYSA-N 0 0 377.463 5.013 50 0 GKAARN CCC(=O)N(CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000001774421 570423124 /nfs/dbraw/zinc/42/31/24/570423124.db2.gz LUVDFJKIHZPFDY-FGZHOGPDSA-N 0 0 397.559 5.472 50 0 biogenic GKAARN CCOC(=O)c1cccc(Nc2nc(-c3cccc(C)c3)nc3ccccc32)c1 ZINC000001775559 570423136 /nfs/dbraw/zinc/42/31/36/570423136.db2.gz 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ZINC000005053599 570426810 /nfs/dbraw/zinc/42/68/10/570426810.db2.gz SWWCBNFQAQXMQS-LRYXAPPNSA-N 0 0 397.950 5.038 50 0 GKAARN Cc1ccc(-c2nnc3sc(C(c4ccccc4)c4ccccc4)nn32)cc1 ZINC000005054961 570426994 /nfs/dbraw/zinc/42/69/94/570426994.db2.gz YMKYTDJZCHPYQG-UHFFFAOYSA-N 0 0 382.492 5.341 50 0 GKAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055401 570427117 /nfs/dbraw/zinc/42/71/17/570427117.db2.gz KPCKDJMJKKKZCZ-XMMPIXPASA-N 0 0 380.491 5.178 50 0 GKAARN Cc1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Cl)cc2)c1 ZINC000005061503 570427590 /nfs/dbraw/zinc/42/75/90/570427590.db2.gz OTPMCDBXYLUDAL-RCCKNPSSSA-N 0 0 390.870 5.058 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000005064174 570427914 /nfs/dbraw/zinc/42/79/14/570427914.db2.gz FWTKUGQIIZTBSJ-UHFFFAOYSA-N 0 0 394.540 5.545 50 0 GKAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1OC ZINC000005073979 570428360 /nfs/dbraw/zinc/42/83/60/570428360.db2.gz GEMARUXNGYWZLQ-NRFANRHFSA-N 0 0 376.431 5.199 50 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/nfs/dbraw/zinc/43/33/03/570433303.db2.gz MWPPKBVKJMBEEN-UHFFFAOYSA-N 0 0 398.329 5.577 50 0 GKAARN Clc1ccc(-c2csc3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1 ZINC000005313453 570433597 /nfs/dbraw/zinc/43/35/97/570433597.db2.gz AEHLLHCTTBFXEK-UHFFFAOYSA-N 0 0 386.907 7.050 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1C ZINC000032953739 570433838 /nfs/dbraw/zinc/43/38/38/570433838.db2.gz NAGXIGLTWQYGIS-UHFFFAOYSA-N 0 0 388.515 5.794 50 0 GKAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(=O)OCC)C1 ZINC000022653480 570434308 /nfs/dbraw/zinc/43/43/08/570434308.db2.gz KIYLUBQRIHCXHI-CQSZACIVSA-N 0 0 389.517 5.292 50 0 GKAARN CCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000022653760 570434693 /nfs/dbraw/zinc/43/46/93/570434693.db2.gz MIVICENZMRULNB-OAHLLOKOSA-N 0 0 385.529 5.182 50 0 GKAARN O=C1c2cccc3cccc(c23)N1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000027498383 570434726 /nfs/dbraw/zinc/43/47/26/570434726.db2.gz ZQGNNQDCPJEVPX-LJQANCHMSA-N 0 0 385.492 5.204 50 0 GKAARN CC(=O)c1sc2nc3ccccc3n2c1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000005351042 570434819 /nfs/dbraw/zinc/43/48/19/570434819.db2.gz LIKUQELMCAXCRZ-UHFFFAOYSA-N 0 0 376.481 5.280 50 0 GKAARN CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)cc1 ZINC000027489514 570434966 /nfs/dbraw/zinc/43/49/66/570434966.db2.gz BDBKVMZDRRXTOZ-JKSUJKDBSA-N 0 0 394.441 5.032 50 0 GKAARN C[C@@H](NC(=O)[C@]1(C)CCCc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000072271235 570435567 /nfs/dbraw/zinc/43/55/67/570435567.db2.gz CYKYYALTWLEWCC-WAIKUNEKSA-N 0 0 376.525 5.282 50 0 GKAARN CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001814620 570436002 /nfs/dbraw/zinc/43/60/02/570436002.db2.gz LYFZIUZIXYUXFU-DEOSSOPVSA-N 0 0 390.552 5.294 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1Cl ZINC000100729592 570436235 /nfs/dbraw/zinc/43/62/35/570436235.db2.gz ONJKAMSMYAANQO-FQEVSTJZSA-N 0 0 387.310 6.865 50 0 GKAARN Cc1ccc2c(Cl)c(C(=O)N(Cc3cccs3)c3ccccn3)sc2c1 ZINC000027580218 570436240 /nfs/dbraw/zinc/43/62/40/570436240.db2.gz KPRATAZUKWQECK-UHFFFAOYSA-N 0 0 398.940 6.167 50 0 GKAARN Cc1cc(OCC(=O)N(Cc2cccs2)c2ccccn2)cc(C)c1Cl ZINC000027580224 570436256 /nfs/dbraw/zinc/43/62/56/570436256.db2.gz OITIGWXIJZZTIO-UHFFFAOYSA-N 0 0 386.904 5.026 50 0 GKAARN COc1ccc(CN(CC[C@H](c2ccc(OC(C)C)cc2)C(C)C)C(C)=O)cc1 ZINC000001834689 570436747 /nfs/dbraw/zinc/43/67/47/570436747.db2.gz QMBGNVYXGLACJE-VWLOTQADSA-N 0 0 397.559 5.661 50 0 biogenic GKAARN Cc1cccc(OCC(=O)N(Cc2cccs2)c2cccc(Cl)c2)c1C ZINC000027582621 570436796 /nfs/dbraw/zinc/43/67/96/570436796.db2.gz OGZLIXRAXUZYPB-UHFFFAOYSA-N 0 0 385.916 5.631 50 0 GKAARN CCCCCCNc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 ZINC000001833776 570436798 /nfs/dbraw/zinc/43/67/98/570436798.db2.gz YGDNDXAXEYBVLF-UHFFFAOYSA-N 0 0 382.577 6.063 50 0 GKAARN Clc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027585918 570437077 /nfs/dbraw/zinc/43/70/77/570437077.db2.gz WEMSOXGQCKOGMB-UHFFFAOYSA-N 0 0 396.881 6.460 50 0 GKAARN Cc1ccc(-c2cnn3c2nc(C)cc3Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000027585881 570437115 /nfs/dbraw/zinc/43/71/15/570437115.db2.gz OQDNSPQJTJRWCP-UHFFFAOYSA-N 0 0 383.282 6.064 50 0 GKAARN Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585681 570437128 /nfs/dbraw/zinc/43/71/28/570437128.db2.gz UDHWVVVSBRHRDX-UHFFFAOYSA-N 0 0 396.416 6.084 50 0 GKAARN C[C@H](Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn21)c1ccccc1 ZINC000027586081 570437189 /nfs/dbraw/zinc/43/71/89/570437189.db2.gz MCHZLUBZJZFAAJ-IBGZPJMESA-N 0 0 390.490 6.236 50 0 GKAARN CC(C)c1cc(Nc2cc(Cl)cc(Cl)c2)n2ncc(-c3ccccc3)c2n1 ZINC000027585304 570437213 /nfs/dbraw/zinc/43/72/13/570437213.db2.gz FOYQRISYONYXGO-UHFFFAOYSA-N 0 0 397.309 6.570 50 0 GKAARN CCCc1cc(Nc2ccc(C)c(Cl)c2)n2ncc(-c3ccccc3)c2n1 ZINC000027585156 570437228 /nfs/dbraw/zinc/43/72/28/570437228.db2.gz MBIOQKTZTVFEMZ-UHFFFAOYSA-N 0 0 376.891 6.054 50 0 GKAARN COc1cc(OC)c(NCC(=O)Nc2ccccc2-c2ccccc2)cc1Cl ZINC000005156874 570438305 /nfs/dbraw/zinc/43/83/05/570438305.db2.gz AIMPCRXQSCLNIC-UHFFFAOYSA-N 0 0 396.874 5.075 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)no2)cc1C ZINC000027662592 570438645 /nfs/dbraw/zinc/43/86/45/570438645.db2.gz AMWNYQMYXCYLAR-UHFFFAOYSA-N 0 0 394.780 5.883 50 0 GKAARN CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(F)c(Cl)c3)c2c1 ZINC000001892381 570438947 /nfs/dbraw/zinc/43/89/47/570438947.db2.gz BPVOMJHSXFPLPR-YYADALCUSA-N 0 0 377.846 6.687 50 0 GKAARN CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\CCc3ccccc3)c2c1 ZINC000001892494 570438991 /nfs/dbraw/zinc/43/89/91/570438991.db2.gz FQCQZJNXJTWFDZ-SOYKGTTHSA-N 0 0 383.491 5.814 50 0 GKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3F)n2)c1 ZINC000027663793 570439169 /nfs/dbraw/zinc/43/91/69/570439169.db2.gz QUTWWWTWZYVKPZ-UHFFFAOYSA-N 0 0 387.867 5.122 50 0 GKAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(C)c3)n2)c1 ZINC000027664167 570439274 /nfs/dbraw/zinc/43/92/74/570439274.db2.gz IZVMCGORBFAFGX-UHFFFAOYSA-N 0 0 383.904 5.291 50 0 GKAARN CC(C)Oc1ccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 ZINC000027664006 570439287 /nfs/dbraw/zinc/43/92/87/570439287.db2.gz RTMBGNQTESCPCU-UHFFFAOYSA-N 0 0 385.916 6.036 50 0 GKAARN CCOc1ccc(N(Cc2cccs2)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027664455 570439721 /nfs/dbraw/zinc/43/97/21/570439721.db2.gz QVOBVBBAFRFQPA-UHFFFAOYSA-N 0 0 395.568 5.896 50 0 GKAARN CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(Cl)c2)cc1 ZINC000027739887 570440706 /nfs/dbraw/zinc/44/07/06/570440706.db2.gz DQPRPEXAYFSAQZ-UHFFFAOYSA-N 0 0 385.916 5.956 50 0 GKAARN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 ZINC000005477803 570441221 /nfs/dbraw/zinc/44/12/21/570441221.db2.gz GJMDVBDJVPFSLC-UHFFFAOYSA-N 0 0 378.328 5.873 50 0 GKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000005469958 570441286 /nfs/dbraw/zinc/44/12/86/570441286.db2.gz LZBHSVAGOMLYBQ-YOEHRIQHSA-N 0 0 377.307 5.180 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000013586467 570441357 /nfs/dbraw/zinc/44/13/57/570441357.db2.gz BYALFPUQWRIWML-UHFFFAOYSA-N 0 0 385.854 5.716 50 0 in-vivo GKAARN COc1ccc(-c2c(C)c3cc(OC(=O)C4CCCCC4)ccc3oc2=O)cc1 ZINC000011866205 570441374 /nfs/dbraw/zinc/44/13/74/570441374.db2.gz AYAPSHGTNZKMMG-UHFFFAOYSA-N 0 0 392.451 5.263 50 0 GKAARN Cc1ccc2nc(/N=c3\cc(-c4ccccc4)oc4ccc(C)cc43)sc2c1 ZINC000001904668 570441522 /nfs/dbraw/zinc/44/15/22/570441522.db2.gz PWYMZAFPJYJJHB-LHLOQNFPSA-N 0 0 382.488 6.559 50 0 GKAARN CC(C)(OC(=O)Nc1cccc2ccccc21)C(F)(F)[C@@H](F)C(F)(F)F ZINC000005481351 570441652 /nfs/dbraw/zinc/44/16/52/570441652.db2.gz REVZXCMXLVDDKI-CYBMUJFWSA-N 0 0 379.300 5.703 50 0 GKAARN CC(C)(OC(=O)Nc1cccc2ccccc21)C(F)(F)[C@H](F)C(F)(F)F ZINC000005481350 570441718 /nfs/dbraw/zinc/44/17/18/570441718.db2.gz REVZXCMXLVDDKI-ZDUSSCGKSA-N 0 0 379.300 5.703 50 0 GKAARN Cc1nc(-c2ccccc2)ccc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000026855094 570441872 /nfs/dbraw/zinc/44/18/72/570441872.db2.gz LQQZUWNONGJTDJ-UHFFFAOYSA-N 0 0 388.492 5.554 50 0 GKAARN CCC(=O)N(CC[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccc(OC)cc1 ZINC000001906652 570441891 /nfs/dbraw/zinc/44/18/91/570441891.db2.gz NYEHLIZUHZWKED-QHCPKHFHSA-N 0 0 383.532 5.272 50 0 biogenic GKAARN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3cccs3)c3ccc(C)cc32)cc1 ZINC000005486049 570442206 /nfs/dbraw/zinc/44/22/06/570442206.db2.gz LIYAPMXMMPCRAX-PXNSSMCTSA-N 0 0 376.525 5.957 50 0 GKAARN CCCCCCN(CC(=O)Nc1ccon1)C(=O)c1ccc(CCCCC)cc1 ZINC000035758528 570442702 /nfs/dbraw/zinc/44/27/02/570442702.db2.gz OVLKSQMFZZJCMV-UHFFFAOYSA-N 0 0 399.535 5.069 50 0 GKAARN Cc1ccc2c(=O)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)oc2c1 ZINC000027795136 570443461 /nfs/dbraw/zinc/44/34/61/570443461.db2.gz KKPKACCELMYHGC-UHFFFAOYSA-N 0 0 381.737 5.026 50 0 GKAARN O=C(c1ccc(Br)o1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795302 570443584 /nfs/dbraw/zinc/44/35/84/570443584.db2.gz COVQKSZNPQWMGQ-UHFFFAOYSA-N 0 0 380.625 5.136 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000005540651 570444616 /nfs/dbraw/zinc/44/46/16/570444616.db2.gz KMTBLBWYJZLGSA-UHFFFAOYSA-N 0 0 380.285 5.528 50 0 GKAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 ZINC000006474585 570444797 /nfs/dbraw/zinc/44/47/97/570444797.db2.gz AZKQJAKPKCXTNY-UHFFFAOYSA-N 0 0 395.503 5.564 50 0 GKAARN CCOc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000005561053 570446320 /nfs/dbraw/zinc/44/63/20/570446320.db2.gz ZPFHZZAFIWGSLR-UHFFFAOYSA-N 0 0 378.906 5.079 50 0 GKAARN Cc1cccc(C)c1OCC(=O)N(Cc1cccs1)c1ccc(Cl)cc1 ZINC000011916506 570447232 /nfs/dbraw/zinc/44/72/32/570447232.db2.gz HVXZUZQPGRXMDN-UHFFFAOYSA-N 0 0 385.916 5.631 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(F)cc3)no2)cc1 ZINC000011916472 570447250 /nfs/dbraw/zinc/44/72/50/570447250.db2.gz WTHMQGIQDSKZQP-UHFFFAOYSA-N 0 0 390.414 5.225 50 0 GKAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)Nc1ccccc1-2 ZINC000005585129 570447673 /nfs/dbraw/zinc/44/76/73/570447673.db2.gz NYRYNMLQMUUJIN-GOSISDBHSA-N 0 0 396.541 5.266 50 0 GKAARN CCC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000005591520 570447874 /nfs/dbraw/zinc/44/78/74/570447874.db2.gz IDZWPEFKFRCPQU-UWJYYQICSA-N 0 0 386.879 5.027 50 0 GKAARN Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccccc2Cl)cc1C ZINC000027988954 570447981 /nfs/dbraw/zinc/44/79/81/570447981.db2.gz LLIZKXVDZHTIOL-UHFFFAOYSA-N 0 0 385.916 5.631 50 0 GKAARN COc1cccc(C(=O)N(Cc2cccs2)c2cccc(C(F)(F)F)c2)c1 ZINC000027989107 570448022 /nfs/dbraw/zinc/44/80/22/570448022.db2.gz XGHMHROUNZYEOV-UHFFFAOYSA-N 0 0 391.414 5.623 50 0 GKAARN Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1 ZINC000011914842 570448062 /nfs/dbraw/zinc/44/80/62/570448062.db2.gz WTYQPVYDEYKQFK-GOSISDBHSA-N 0 0 394.902 5.353 50 0 GKAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000064372593 570448487 /nfs/dbraw/zinc/44/84/87/570448487.db2.gz TWVVQOPEYQYOAW-INIZCTEOSA-N 0 0 390.270 5.171 50 0 GKAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(F)c(Cl)cc1Cl ZINC000011918034 570448590 /nfs/dbraw/zinc/44/85/90/570448590.db2.gz ZWOMWHVVYVBUQH-UHFFFAOYSA-N 0 0 382.218 5.426 50 0 GKAARN COc1c(Cl)cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1Cl ZINC000011918084 570448621 /nfs/dbraw/zinc/44/86/21/570448621.db2.gz GRDWXCWWUVVMDL-UHFFFAOYSA-N 0 0 394.254 5.296 50 0 GKAARN COc1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)c2ccccn2)cc1 ZINC000027995050 570449167 /nfs/dbraw/zinc/44/91/67/570449167.db2.gz JUSDDWIMODXUML-UHFFFAOYSA-N 0 0 390.414 5.131 50 0 GKAARN CCc1cc(Oc2cccc(F)c2)nc(SCc2cc(F)ccc2F)n1 ZINC000035793696 570449371 /nfs/dbraw/zinc/44/93/71/570449371.db2.gz PJRUATMTJPBKRO-UHFFFAOYSA-N 0 0 376.403 5.541 50 0 GKAARN C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1 ZINC000005662453 570450302 /nfs/dbraw/zinc/45/03/02/570450302.db2.gz FFJYJYSZDVKMTN-AWEZNQCLSA-N 0 0 381.273 5.002 50 0 GKAARN Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1=NN=C(c2ccc(Cl)cc2)[C@H]1C ZINC000005675647 570451046 /nfs/dbraw/zinc/45/10/46/570451046.db2.gz WNFRVPGJIFLLMJ-TXEJJXNPSA-N 0 0 383.282 5.283 50 0 GKAARN Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1=NN=C(c2ccc(Cl)cc2)[C@@H]1C ZINC000005675639 570451145 /nfs/dbraw/zinc/45/11/45/570451145.db2.gz WNFRVPGJIFLLMJ-RYUDHWBXSA-N 0 0 383.282 5.283 50 0 GKAARN C[C@@H]1CCO[P@@](=O)(C(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000005672889 570451170 /nfs/dbraw/zinc/45/11/70/570451170.db2.gz QAFHOWGDYORPLY-WINIVTDRSA-N 0 0 378.408 5.997 50 0 GKAARN c1oc(-c2ccccc2)nc1Cn1c(COc2ccccc2)nc2ccccc21 ZINC000032957698 570451373 /nfs/dbraw/zinc/45/13/73/570451373.db2.gz KNSRNFYBAPKWEZ-UHFFFAOYSA-N 0 0 381.435 5.319 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3C(C)C)cc1 ZINC000005682752 570451495 /nfs/dbraw/zinc/45/14/95/570451495.db2.gz BEJDFYNKSDSVQO-UYAOXDASSA-N 0 0 375.299 5.827 50 0 GKAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1 ZINC000001982115 570451791 /nfs/dbraw/zinc/45/17/91/570451791.db2.gz YJVBGNNQHLFWQE-IBGZPJMESA-N 0 0 397.515 5.447 50 0 GKAARN COc1ccc(-c2oc3ccccc3c(=O)c2Oc2ncnc3ccccc32)cc1 ZINC000001987879 570452002 /nfs/dbraw/zinc/45/20/02/570452002.db2.gz QCGNZUDYKKOUKH-UHFFFAOYSA-N 0 0 396.402 5.204 50 0 GKAARN COc1ccc(NC(=O)C[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001321634 570453018 /nfs/dbraw/zinc/45/30/18/570453018.db2.gz NYQZDJBSIDBENP-XMMPIXPASA-N 0 0 389.495 5.643 50 0 biogenic GKAARN CCCCCOc1ccc(S(=O)(=O)NC2CCCCCC2)c2ccccc12 ZINC000028251936 570453221 /nfs/dbraw/zinc/45/32/21/570453221.db2.gz YGGSPQYFQHIGKB-UHFFFAOYSA-N 0 0 389.561 5.410 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ccccn1 ZINC000028287299 570454147 /nfs/dbraw/zinc/45/41/47/570454147.db2.gz RLVGHYDDIRLJGR-UHFFFAOYSA-N 0 0 376.481 5.662 50 0 GKAARN Cc1nc(SCC(=O)Nc2ccccc2C(C)C)cc(-c2ccccc2)n1 ZINC000012016820 570454352 /nfs/dbraw/zinc/45/43/52/570454352.db2.gz JOHIDHZDWPHKTP-UHFFFAOYSA-N 0 0 377.513 5.306 50 0 GKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000005739529 570454561 /nfs/dbraw/zinc/45/45/61/570454561.db2.gz POSXOANVMSYICF-IRLDBZIGSA-N 0 0 395.289 6.236 50 0 GKAARN Cn1c(=S)n(CN2CCC(c3ccccc3)CC2)nc1-c1ccccc1Cl ZINC000005748889 570454874 /nfs/dbraw/zinc/45/48/74/570454874.db2.gz UCLKDBJXHKISJN-UHFFFAOYSA-N 0 0 398.963 5.109 50 0 GKAARN CCCOc1ccc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 ZINC000028289632 570455639 /nfs/dbraw/zinc/45/56/39/570455639.db2.gz VDGCVLPLAJRQKM-UHFFFAOYSA-N 0 0 398.865 5.510 50 0 GKAARN Cc1cc(Cc2cc(C)cc(C3CCCCC3)c2O)c(O)c(C2CCCCC2)c1 ZINC000005765105 570455891 /nfs/dbraw/zinc/45/58/91/570455891.db2.gz AKNMPWVTPUHKCG-UHFFFAOYSA-N 0 0 392.583 7.401 50 0 GKAARN O=C(COc1ccccc1Cl)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028290862 570455952 /nfs/dbraw/zinc/45/59/52/570455952.db2.gz BYVYSBLLOKVOHR-UHFFFAOYSA-N 0 0 387.266 5.001 50 0 GKAARN Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)c2ccccn2)ccc1Cl ZINC000028292130 570456478 /nfs/dbraw/zinc/45/64/78/570456478.db2.gz LMEYUKMLTFOXGG-MRXNPFEDSA-N 0 0 398.865 5.183 50 0 GKAARN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1cccc(F)c1 ZINC000006496542 570456730 /nfs/dbraw/zinc/45/67/30/570456730.db2.gz QLYMLMJKYFDAJK-UHFFFAOYSA-N 0 0 382.394 6.039 50 0 GKAARN CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028292933 570457061 /nfs/dbraw/zinc/45/70/61/570457061.db2.gz IWXGDRSQAHPZTN-FQEVSTJZSA-N 0 0 398.865 5.265 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)NCc2ccccc2)cc1 ZINC000035818765 570457687 /nfs/dbraw/zinc/45/76/87/570457687.db2.gz LWEJWJCHBSDIJL-HSZRJFAPSA-N 0 0 387.527 5.100 50 0 GKAARN CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1Cl ZINC000254770143 570457878 /nfs/dbraw/zinc/45/78/78/570457878.db2.gz GMSCJEOWAWNKKA-UHFFFAOYSA-N 0 0 383.731 6.429 50 0 GKAARN CC(=Cc1ccccc1)C=C1SC(Nc2cccc(C(F)(F)F)c2)=NC1=O ZINC000001834161 570459383 /nfs/dbraw/zinc/45/93/83/570459383.db2.gz JUQFGVQOLJBRKI-VHDJGTGISA-N 0 0 388.414 5.734 50 0 GKAARN CC(=O)Nc1s/c(=N\c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1 ZINC000028405592 570459475 /nfs/dbraw/zinc/45/94/75/570459475.db2.gz NSHWNTGKXCJRDX-LCUIJRPUSA-N 0 0 399.519 5.456 50 0 GKAARN C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000006508325 570461060 /nfs/dbraw/zinc/46/10/60/570461060.db2.gz BPZHVOPGZWVJCU-INIZCTEOSA-N 0 0 393.870 5.042 50 0 GKAARN COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc21 ZINC000005942506 570462488 /nfs/dbraw/zinc/46/24/88/570462488.db2.gz RNLFJPVCTCWJOU-UHFFFAOYSA-N 0 0 382.463 5.780 50 0 GKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3cccc4c3CCCC4)nc2cc1C ZINC000064439054 570462856 /nfs/dbraw/zinc/46/28/56/570462856.db2.gz PVIHIDKUYNZTTF-UHFFFAOYSA-N 0 0 389.499 5.165 50 0 GKAARN CCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000005950949 570463043 /nfs/dbraw/zinc/46/30/43/570463043.db2.gz GAKPKQQGUWUBPA-UHFFFAOYSA-N 0 0 382.847 5.591 50 0 GKAARN O=C(CSc1nnc(NC2CCCCC2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000006513404 570463863 /nfs/dbraw/zinc/46/38/63/570463863.db2.gz WASNILXLRYCBGM-UHFFFAOYSA-N 0 0 391.606 5.160 50 0 GKAARN Cc1ccc(N(C(=O)Nc2ccc(F)c(Cl)c2)C2=NC[C@@H](C)S2)cc1 ZINC000003114454 570464537 /nfs/dbraw/zinc/46/45/37/570464537.db2.gz QJJHJDUEZMDHKJ-GFCCVEGCSA-N 0 0 377.872 5.317 50 0 GKAARN Cc1ccc(NC(=O)NCc2ccc(-c3ccccc3C)c3ccncc23)cc1C ZINC000035844658 570464776 /nfs/dbraw/zinc/46/47/76/570464776.db2.gz MXIQMZIBJPIWNK-UHFFFAOYSA-N 0 0 395.506 6.149 50 0 GKAARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(C)cc1)O2 ZINC000006048345 570464912 /nfs/dbraw/zinc/46/49/12/570464912.db2.gz FOGRDVGCAFALFO-ZCYQVOJMSA-N 0 0 384.479 5.636 50 0 GKAARN CCC[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(CC)cc3)=NN21 ZINC000006046044 570465060 /nfs/dbraw/zinc/46/50/60/570465060.db2.gz URTQTUCJQNJLTB-FPOVZHCZSA-N 0 0 399.332 5.681 50 0 GKAARN O=C(Nc1ccc(Oc2ccncc2)cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000050805301 570465538 /nfs/dbraw/zinc/46/55/38/570465538.db2.gz AFVSUZXTWVBHSY-UHFFFAOYSA-N 0 0 395.871 5.836 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000006526965 570465635 /nfs/dbraw/zinc/46/56/35/570465635.db2.gz HGHWUJRDMXLKMS-UHFFFAOYSA-N 0 0 375.255 5.821 50 0 GKAARN C[C@@H]1CCc2c(C(=O)Nc3c(F)cc(F)cc3Br)csc2C1 ZINC000006523321 570465690 /nfs/dbraw/zinc/46/56/90/570465690.db2.gz MOUOMNBPAHLPSE-MRVPVSSYSA-N 0 0 386.261 5.166 50 0 GKAARN Cc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1C ZINC000064471602 570466994 /nfs/dbraw/zinc/46/69/94/570466994.db2.gz IUHVCKHTYAVVCA-UHFFFAOYSA-N 0 0 377.463 5.360 50 0 GKAARN Cc1ccc(-c2csc(C(=O)Nc3ccc(C)cc3C)c2-n2cccc2)cc1 ZINC000064472530 570467563 /nfs/dbraw/zinc/46/75/63/570467563.db2.gz MVLOQSQPARDVKF-UHFFFAOYSA-N 0 0 386.520 6.383 50 0 GKAARN O=C(Nc1ccccc1Cl)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472453 570467592 /nfs/dbraw/zinc/46/75/92/570467592.db2.gz QFFLCTDEUWGBBR-UHFFFAOYSA-N 0 0 378.884 6.112 50 0 GKAARN CC(C)c1c(C(=O)Nc2ccc(-c3cnco3)cc2)cnn1-c1ccc(F)cc1 ZINC000133295065 570467996 /nfs/dbraw/zinc/46/79/96/570467996.db2.gz PFHQNZFQLHUVFR-UHFFFAOYSA-N 0 0 390.418 5.042 50 0 GKAARN CC(C)c1ccc([C@H](C)NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 ZINC000029086661 570468410 /nfs/dbraw/zinc/46/84/10/570468410.db2.gz SGYDGQYIZGCEDR-HNNXBMFYSA-N 0 0 398.453 5.553 50 0 GKAARN CO[C@@H](C)c1cccc(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000133715098 570468557 /nfs/dbraw/zinc/46/85/57/570468557.db2.gz NIGASIHXNOZPLX-NSHDSACASA-N 0 0 378.259 5.363 50 0 GKAARN c1nc(CSc2nnc(C3CC3)n2Cc2ccccc2)oc1-c1ccccc1 ZINC000006532067 570468787 /nfs/dbraw/zinc/46/87/87/570468787.db2.gz KEVYXJSTPIARPZ-UHFFFAOYSA-N 0 0 388.496 5.151 50 0 GKAARN Fc1cc(-c2ccccc2NCc2csc([C@H]3CCCO3)n2)cc(F)c1F ZINC000134868642 570470297 /nfs/dbraw/zinc/47/02/97/570470297.db2.gz MFCKOFVNBQMQDE-GOSISDBHSA-N 0 0 390.430 5.691 50 0 GKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc2c(c1)CCCC2 ZINC000006536687 570470290 /nfs/dbraw/zinc/47/02/90/570470290.db2.gz YEIJLJMZPCGYKB-UHFFFAOYSA-N 0 0 384.504 6.094 50 0 GKAARN CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000029246772 570470853 /nfs/dbraw/zinc/47/08/53/570470853.db2.gz XLJYJIRNTSTBJF-UHFFFAOYSA-N 0 0 387.464 5.260 50 0 GKAARN COc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn42)CCCC3)cc1 ZINC000002327277 570473007 /nfs/dbraw/zinc/47/30/07/570473007.db2.gz ATHCYXAZCMHTLI-UHFFFAOYSA-N 0 0 384.483 5.336 50 0 GKAARN O=C(Cc1csc(-c2ccsc2)n1)NCC1(c2ccccc2)CCCC1 ZINC000029412529 570473217 /nfs/dbraw/zinc/47/32/17/570473217.db2.gz QZJLOUMFMSODQM-UHFFFAOYSA-N 0 0 382.554 5.042 50 0 GKAARN Cc1ccc(-c2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cs2)cc1 ZINC000006543624 570473411 /nfs/dbraw/zinc/47/34/11/570473411.db2.gz ZYQSXLOCIGEZHO-UHFFFAOYSA-N 0 0 384.810 5.001 50 0 GKAARN Cc1cccc(NC(=O)CCCSc2nc(C)nc3sc4c(c32)CCC4)c1 ZINC000006543640 570473450 /nfs/dbraw/zinc/47/34/50/570473450.db2.gz YSJOVHNUWQKVFB-UHFFFAOYSA-N 0 0 397.569 5.308 50 0 GKAARN CCOc1ccc2oc(C(=O)NCCc3ccc(C(F)(F)F)cc3)c(C)c2c1 ZINC000006549931 570473493 /nfs/dbraw/zinc/47/34/93/570473493.db2.gz WMEXZJQWWBZDAS-UHFFFAOYSA-N 0 0 391.389 5.131 50 0 GKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)c1 ZINC000006248505 570473895 /nfs/dbraw/zinc/47/38/95/570473895.db2.gz IXINHVQGGVHBQG-GHTZIAJQSA-N 0 0 396.899 5.652 50 0 GKAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)c1 ZINC000006248504 570473957 /nfs/dbraw/zinc/47/39/57/570473957.db2.gz SRHBRLGFOSQQHF-JTHBVZDNSA-N 0 0 390.870 5.591 50 0 GKAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)c1 ZINC000006248511 570473961 /nfs/dbraw/zinc/47/39/61/570473961.db2.gz SRHBRLGFOSQQHF-FYYLOGMGSA-N 0 0 390.870 5.591 50 0 GKAARN C[C@@H]1CCc2c(sc3nc(CCc4ccccc4)nc(N4CCCC4)c23)C1 ZINC000035892668 570474241 /nfs/dbraw/zinc/47/42/41/570474241.db2.gz PKAPHFXBEUEIBR-MRXNPFEDSA-N 0 0 377.557 5.202 50 0 GKAARN CC(C)Cc1nc2sc3c(c2c(N2CCc4ccccc4C2)n1)CC[C@@H](C)C3 ZINC000035892820 570474377 /nfs/dbraw/zinc/47/43/77/570474377.db2.gz RTGNXBUEYBJIAJ-MRXNPFEDSA-N 0 0 391.584 5.577 50 0 GKAARN CCOc1ccc(-c2nc(-c3ccc(-c4ccccc4)nc3OCC)no2)cc1 ZINC000006554475 570475866 /nfs/dbraw/zinc/47/58/66/570475866.db2.gz BKIVPWKBZADIJN-UHFFFAOYSA-N 0 0 387.439 5.263 50 0 GKAARN Fc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000006337046 570477281 /nfs/dbraw/zinc/47/72/81/570477281.db2.gz BCKRGHLZGVAVNY-FXAWDEMLSA-N 0 0 384.863 5.783 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000006562992 570478595 /nfs/dbraw/zinc/47/85/95/570478595.db2.gz DOSRFFMEIDRJLT-UHFFFAOYSA-N 0 0 389.238 5.464 50 0 GKAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Br)cc1 ZINC000000754396 570479042 /nfs/dbraw/zinc/47/90/42/570479042.db2.gz CPKHQODSHDTWHQ-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN Cc1nc2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)C[C@@H](C)CC5)cc2s1 ZINC000006566084 570479239 /nfs/dbraw/zinc/47/92/39/570479239.db2.gz ZXVLZTPQJQXFIA-LBPRGKRZSA-N 0 0 375.497 5.463 50 0 GKAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1cccc2ccccc21 ZINC000072289088 570480178 /nfs/dbraw/zinc/48/01/78/570480178.db2.gz ZJCRPRDAGBHWIJ-JOCHJYFZSA-N 0 0 380.463 5.202 50 0 GKAARN COc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)c(OC)c1 ZINC000006570892 570480522 /nfs/dbraw/zinc/48/05/22/570480522.db2.gz XYZJYMFYDMTALK-OAQYLSRUSA-N 0 0 381.522 6.123 50 0 GKAARN O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccccc1-c1ccccc1 ZINC000006580320 570481096 /nfs/dbraw/zinc/48/10/96/570481096.db2.gz DUNLQXAOBGSVBF-UHFFFAOYSA-N 0 0 387.508 5.741 50 0 GKAARN Cc1ccc(NC(=O)N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000022658202 570481736 /nfs/dbraw/zinc/48/17/36/570481736.db2.gz BLXJTFVIOMHNTH-UHFFFAOYSA-N 0 0 384.523 6.149 50 0 GKAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1C(F)(F)F)CCCC3 ZINC000006537527 570482641 /nfs/dbraw/zinc/48/26/41/570482641.db2.gz XXHPMHNJMMKMRP-UHFFFAOYSA-N 0 0 382.432 5.007 50 0 GKAARN CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000022658646 570482726 /nfs/dbraw/zinc/48/27/26/570482726.db2.gz AKBTZXVQMQWRFG-QGZVFWFLSA-N 0 0 399.556 5.572 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3ccc(F)c(F)c3)c2c1 ZINC000064568478 570483593 /nfs/dbraw/zinc/48/35/93/570483593.db2.gz CIHWYYOXOBKYPP-HNNXBMFYSA-N 0 0 395.453 5.437 50 0 GKAARN COc1cccc2c(Nc3ccc(C)c(F)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568487 570483594 /nfs/dbraw/zinc/48/35/94/570483594.db2.gz BPGALXJEONUVTJ-UHFFFAOYSA-N 0 0 393.462 5.061 50 0 GKAARN Cc1ccc(F)cc1Nc1cc(C(=O)N2CCC(C)CC2)nc2ccccc21 ZINC000064568410 570483670 /nfs/dbraw/zinc/48/36/70/570483670.db2.gz GKSLFVNNPYHFSW-UHFFFAOYSA-N 0 0 377.463 5.298 50 0 GKAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccccc3)cc2)ncn1 ZINC000064568549 570483683 /nfs/dbraw/zinc/48/36/83/570483683.db2.gz YKIVBWPSRIRKMM-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1noc(C)c1CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000006585969 570483971 /nfs/dbraw/zinc/48/39/71/570483971.db2.gz HODIBLIMQIFMIV-UHFFFAOYSA-N 0 0 394.475 5.013 50 0 GKAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3ccc(C(=O)OC(C)C)o3)c2n1 ZINC000006586729 570484335 /nfs/dbraw/zinc/48/43/35/570484335.db2.gz XSIQDNXHFGIVNV-UHFFFAOYSA-N 0 0 394.254 5.587 50 0 GKAARN O=C(Nc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1)c1ccccc1 ZINC000006595240 570484394 /nfs/dbraw/zinc/48/43/94/570484394.db2.gz SFGSPOFCBFMTKH-UHFFFAOYSA-N 0 0 385.250 5.498 50 0 GKAARN COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccc2)cc1 ZINC000006614651 570484709 /nfs/dbraw/zinc/48/47/09/570484709.db2.gz FVGKLXGCHZDHBP-UHFFFAOYSA-N 0 0 387.508 5.544 50 0 GKAARN C[C@@H](SC1=Nc2ccccc2CS1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000006588278 570486688 /nfs/dbraw/zinc/48/66/88/570486688.db2.gz GYWCGFSLFODNFZ-KUHUBIRLSA-N 0 0 382.554 5.236 50 0 GKAARN CCOC(=O)c1cc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1 ZINC000006667978 570487065 /nfs/dbraw/zinc/48/70/65/570487065.db2.gz QJHMOVCIALWYHG-UHFFFAOYSA-N 0 0 383.513 5.233 50 0 GKAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3C2)cc1OCc1ccccc1 ZINC000006667537 570487133 /nfs/dbraw/zinc/48/71/33/570487133.db2.gz MTNXTHBMMHAUIF-UHFFFAOYSA-N 0 0 398.506 5.314 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000064578632 570487161 /nfs/dbraw/zinc/48/71/61/570487161.db2.gz XZUXZOLWBIQIDP-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN CC[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006596478 570489657 /nfs/dbraw/zinc/48/96/57/570489657.db2.gz MNHRWQCFEBFBNK-SXYIGIQMSA-N 0 0 389.967 5.609 50 0 GKAARN CCCCc1ccc(-c2nc3ccccc3c(Nc3ccc(F)cc3F)n2)cc1 ZINC000006720315 570489754 /nfs/dbraw/zinc/48/97/54/570489754.db2.gz YXVRJPPESAPBCE-UHFFFAOYSA-N 0 0 389.449 6.661 50 0 GKAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000035970869 570490160 /nfs/dbraw/zinc/49/01/60/570490160.db2.gz 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Cc1ccsc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000033605969 570528197 /nfs/dbraw/zinc/52/81/97/570528197.db2.gz NQJJJQDIBVAZAF-AUWJEWJLSA-N 0 0 384.309 5.600 50 0 GKAARN Cc1c(C)n(-c2ccccc2)c2nc(C)nc(Nc3ccc(Cl)cc3F)c12 ZINC000032960439 570528526 /nfs/dbraw/zinc/52/85/26/570528526.db2.gz ZPWSQLCGZVSWJE-UHFFFAOYSA-N 0 0 380.854 5.882 50 0 GKAARN O=C(c1cccs1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000005259271 570528532 /nfs/dbraw/zinc/52/85/32/570528532.db2.gz SPXZIRSKCASAAU-JSQQYZCHSA-N 0 0 398.531 6.185 50 0 GKAARN Cc1c(C)n(-c2ccccc2)c2nc(C)nc(Nc3cc(Cl)ccc3C)c12 ZINC000032960433 570528622 /nfs/dbraw/zinc/52/86/22/570528622.db2.gz QJMKPFAKBMJPTG-UHFFFAOYSA-N 0 0 376.891 6.051 50 0 GKAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncnc(NCc3cccc(C)c3)c12 ZINC000032960431 570528820 /nfs/dbraw/zinc/52/88/20/570528820.db2.gz LHLDOIFRGKQMKY-UHFFFAOYSA-N 0 0 376.891 5.611 50 0 GKAARN Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(NCc3cccc(C)c3)c12 ZINC000032960459 570529019 /nfs/dbraw/zinc/52/90/19/570529019.db2.gz 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Cc1ccc(OCc2nc(CN(C(=O)C3CCCC3)C3CC3)cs2)cc1C ZINC000036107003 570542425 /nfs/dbraw/zinc/54/24/25/570542425.db2.gz JGMXMFCSQRCLNB-UHFFFAOYSA-N 0 0 384.545 5.020 50 0 GKAARN C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000034627525 570542551 /nfs/dbraw/zinc/54/25/51/570542551.db2.gz MVATYZASHIXZEL-OUOWLKGYSA-N 0 0 384.479 5.612 50 0 GKAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Cl)cc1Cl)CO3 ZINC000002119776 570542731 /nfs/dbraw/zinc/54/27/31/570542731.db2.gz LAFXVBBAOYYCHW-UHFFFAOYSA-N 0 0 376.239 5.073 50 0 GKAARN Cc1nc2c(-c3ccc(Cl)cc3)noc2c(NCCc2ccc(Cl)cc2)n1 ZINC000064775644 570542740 /nfs/dbraw/zinc/54/27/40/570542740.db2.gz NEGVJTHKYXESSI-UHFFFAOYSA-N 0 0 399.281 5.555 50 0 GKAARN O=C(Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1)Nc1ccccc1F ZINC000008914414 570542765 /nfs/dbraw/zinc/54/27/65/570542765.db2.gz ZATBNPLSNIGZJH-UHFFFAOYSA-N 0 0 397.262 5.219 50 0 GKAARN CCCc1sc(Nc2ccccc2Cl)nc1-c1ccc(Cl)c(Cl)c1 ZINC000002176713 570542771 /nfs/dbraw/zinc/54/27/71/570542771.db2.gz 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VAFKGTSAUCISKG-UHFFFAOYSA-N 0 0 395.228 5.103 50 0 GKAARN CSc1nc2cc(Oc3ccc(Cl)c4ccccc34)c(Cl)cc2[nH]1 ZINC000001513626 570585186 /nfs/dbraw/zinc/58/51/86/570585186.db2.gz OSDDXEWTQZXREV-UHFFFAOYSA-N 0 0 375.280 6.537 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000001506352 570585385 /nfs/dbraw/zinc/58/53/85/570585385.db2.gz NNOCKJRWLIENGQ-UHFFFAOYSA-N 0 0 390.464 5.320 50 0 GKAARN C=C1C(Nc2cccc(SC)c2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006780413 570587175 /nfs/dbraw/zinc/58/71/75/570587175.db2.gz FOYXHZLYAIXJTF-UHFFFAOYSA-N 0 0 386.542 5.117 50 0 GKAARN COCc1ccccc1NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C ZINC000225555151 570587591 /nfs/dbraw/zinc/58/75/91/570587591.db2.gz JYPXBJWSGGXYBY-OAQYLSRUSA-N 0 0 396.531 5.213 50 0 GKAARN O=C(Nc1scc(-c2ccccc2)c1C(=O)N1CCCCC1)c1ccccc1 ZINC000005413486 570588424 /nfs/dbraw/zinc/58/84/24/570588424.db2.gz SNRMXWZVUFUQHL-UHFFFAOYSA-N 0 0 390.508 5.294 50 0 GKAARN COc1ccccc1Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1ccccc1OC2 ZINC000006780829 570588714 /nfs/dbraw/zinc/58/87/14/570588714.db2.gz XIXRUMMLKSUSPJ-UHFFFAOYSA-N 0 0 399.425 5.594 50 0 GKAARN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000005420023 570588814 /nfs/dbraw/zinc/58/88/14/570588814.db2.gz VWBWLOJCOGEHQR-OAHLLOKOSA-N 0 0 389.879 5.011 50 0 GKAARN Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000002443121 570589271 /nfs/dbraw/zinc/58/92/71/570589271.db2.gz BKJQQYFNPHGBBZ-DHZHZOJOSA-N 0 0 383.520 6.048 50 0 GKAARN O=P(Oc1ccccc1)(Oc1ccccc1)N1CCCC[C@H]1c1cccnc1 ZINC000002294254 570589825 /nfs/dbraw/zinc/58/98/25/570589825.db2.gz UNLLUEZFNLORCH-QFIPXVFZSA-N 0 0 394.411 5.875 50 0 biogenic GKAARN CCCOc1ccc(-c2nc3ccccc3c(Nc3ccc(OC)cc3)n2)cc1 ZINC000006783472 570590025 /nfs/dbraw/zinc/59/00/25/570590025.db2.gz IIZNLXPDTZHJQM-UHFFFAOYSA-N 0 0 385.467 5.838 50 0 GKAARN CCc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1 ZINC000002590976 570590292 /nfs/dbraw/zinc/59/02/92/570590292.db2.gz GLDIAMPTCBVDEK-UHFFFAOYSA-N 0 0 381.412 6.544 50 0 GKAARN CCCC(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc2n1C ZINC000005426167 570590312 /nfs/dbraw/zinc/59/03/12/570590312.db2.gz ZSEYNKVUUUBDGA-UHFFFAOYSA-N 0 0 389.282 5.251 50 0 GKAARN Cc1cc(C)c(N2COc3c(Cl)cc4c(C)c(C)c(=O)oc4c3C2)c(C)c1 ZINC000005427114 570590348 /nfs/dbraw/zinc/59/03/48/570590348.db2.gz DXLKFVCSVAKIKX-UHFFFAOYSA-N 0 0 383.875 5.345 50 0 GKAARN O=C(CSc1ccccc1Cl)Nc1c(F)cc(F)cc1Br ZINC000029275698 570590406 /nfs/dbraw/zinc/59/04/06/570590406.db2.gz RGUXPYVASWMONP-UHFFFAOYSA-N 0 0 392.652 5.112 50 0 GKAARN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)s1 ZINC000002617623 570590757 /nfs/dbraw/zinc/59/07/57/570590757.db2.gz NFNNDTPQXXIDFN-UHFFFAOYSA-N 0 0 383.494 5.003 50 0 GKAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)NC[C@@H](C)c3ccccc3)c2c1C ZINC000005428809 570591192 /nfs/dbraw/zinc/59/11/92/570591192.db2.gz XHSNLUBLXFHSJQ-IUODEOHRSA-N 0 0 399.585 5.017 50 0 GKAARN COc1cc(C(=O)Nc2ccccc2Cc2ccccc2)cc(Cl)c1OC ZINC000006786620 570591498 /nfs/dbraw/zinc/59/14/98/570591498.db2.gz YHZCDFIMJGASAZ-UHFFFAOYSA-N 0 0 381.859 5.200 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000002633151 570591703 /nfs/dbraw/zinc/59/17/03/570591703.db2.gz CMPQIOOVCPJQKA-UHFFFAOYSA-N 0 0 383.463 6.162 50 0 GKAARN CCn1cc(CN2CC[C@@H](c3cccc(F)c3)Sc3ccccc32)c(C)n1 ZINC000011913549 570592141 /nfs/dbraw/zinc/59/21/41/570592141.db2.gz UEJNTKDKJHEKKG-NRFANRHFSA-N 0 0 381.520 5.594 50 0 GKAARN CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ncccc1C ZINC000225595733 570592309 /nfs/dbraw/zinc/59/23/09/570592309.db2.gz DWADPWKYQXWWGU-UHFFFAOYSA-N 0 0 379.074 5.065 50 0 GKAARN Cc1ccc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1C ZINC000002655038 570593169 /nfs/dbraw/zinc/59/31/69/570593169.db2.gz HKYRDQDXLKCCHS-QHCPKHFHSA-N 0 0 395.955 6.418 50 0 GKAARN O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccccc1Br ZINC000006787790 570593426 /nfs/dbraw/zinc/59/34/26/570593426.db2.gz QCOAOPNBUGYGMH-UHFFFAOYSA-N 0 0 390.224 5.199 50 0 GKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000006788406 570593744 /nfs/dbraw/zinc/59/37/44/570593744.db2.gz PXVGPLCVHZPDGH-HXUWFJFHSA-N 0 0 376.525 5.163 50 0 GKAARN C[C@H]1C[C@H](C)CN(P2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)C1 ZINC000005446823 570594278 /nfs/dbraw/zinc/59/42/78/570594278.db2.gz MSQIQVIKCCSRNP-OALUTQOASA-N 0 0 379.440 6.270 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@H](O)c1cccnc1 ZINC000005446732 570595784 /nfs/dbraw/zinc/59/57/84/570595784.db2.gz SVZCUZNTBHVSQC-PCHLXZDWSA-N 0 0 387.460 5.154 50 0 GKAARN CC(=O)c1cc(CN2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)cs1 ZINC000011948976 570595861 /nfs/dbraw/zinc/59/58/61/570595861.db2.gz WXLMSBPGECTQLP-LJQANCHMSA-N 0 0 377.509 5.199 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1C(F)(F)F ZINC000003181943 570596126 /nfs/dbraw/zinc/59/61/26/570596126.db2.gz OUQNJIGDAJKUTQ-UHFFFAOYSA-N 0 0 398.595 5.683 50 0 GKAARN Cc1ccc(NC(=O)[C@@H](Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000006790505 570596458 /nfs/dbraw/zinc/59/64/58/570596458.db2.gz SARCWYZAIIGEPI-FQEVSTJZSA-N 0 0 385.294 6.094 50 0 GKAARN CC(C)(C)[P@@](=O)(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005447466 570596709 /nfs/dbraw/zinc/59/67/09/570596709.db2.gz CBLZDCZJVKQRHY-MHZLTWQESA-N 0 0 377.468 6.091 50 0 GKAARN CCc1ccc(-c2nc(NC(=O)Nc3ccc(Cl)cc3)sc2C)s1 ZINC000003136449 570596963 /nfs/dbraw/zinc/59/69/63/570596963.db2.gz CIMDVOMJMCZTIE-UHFFFAOYSA-N 0 0 377.922 6.040 50 0 GKAARN O=C(C1CCCCC1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000005447392 570597061 /nfs/dbraw/zinc/59/70/61/570597061.db2.gz ZZJQCYTYPWLKLR-KYIXNBJTSA-N 0 0 378.472 5.576 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2C)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793620 570597402 /nfs/dbraw/zinc/59/74/02/570597402.db2.gz UPKHMZVRTJEDIP-UHFFFAOYSA-N 0 0 389.451 5.580 50 0 biogenic GKAARN O=C(Nc1nonc1-c1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000005452235 570597622 /nfs/dbraw/zinc/59/76/22/570597622.db2.gz FQXHRVHEOXHFEA-UHFFFAOYSA-N 0 0 390.251 5.510 50 0 GKAARN O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2F)C1c1ccc(F)cc1 ZINC000040485798 570597977 /nfs/dbraw/zinc/59/79/77/570597977.db2.gz JZMAKRQCUUCZRP-OAQYLSRUSA-N 0 0 377.390 5.018 50 0 GKAARN COc1cc(CNc2ccccc2NC(=O)OC(C)(C)C)ccc1OC(C)C ZINC000225647350 570598002 /nfs/dbraw/zinc/59/80/02/570598002.db2.gz XXNYTVVNLNPZAW-UHFFFAOYSA-N 0 0 386.492 5.442 50 0 GKAARN Cc1c(C(=O)NC2CCCCC2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793791 570598194 /nfs/dbraw/zinc/59/81/94/570598194.db2.gz UBHKMAICXBKOHB-UHFFFAOYSA-N 0 0 381.472 5.082 50 0 biogenic GKAARN Clc1ccc(CSc2nc3cc(Br)cnc3[nH]2)cc1Cl ZINC000005454300 570598272 /nfs/dbraw/zinc/59/82/72/570598272.db2.gz IFPSSQNQWDEBHC-UHFFFAOYSA-N 0 0 389.105 5.320 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc21 ZINC000003225427 570598453 /nfs/dbraw/zinc/59/84/53/570598453.db2.gz PCRLCBCNZTWIAI-UHFFFAOYSA-N 0 0 384.813 5.998 50 0 GKAARN CCc1ccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)cc1 ZINC000003226983 570598461 /nfs/dbraw/zinc/59/84/61/570598461.db2.gz GKSDJMUXCACUFE-UHFFFAOYSA-N 0 0 392.911 6.491 50 0 GKAARN CCCCc1ccc(N(C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000003228751 570598582 /nfs/dbraw/zinc/59/85/82/570598582.db2.gz NNNANBJEGPVFCL-UHFFFAOYSA-N 0 0 386.520 6.617 50 0 GKAARN Cc1ccc2c(c1)[nH]c(C(=O)NCc1ccccc1F)c2Sc1ccccc1 ZINC000006798848 570598874 /nfs/dbraw/zinc/59/88/74/570598874.db2.gz SPORPBFUIGGRNM-UHFFFAOYSA-N 0 0 390.483 5.697 50 0 GKAARN Cc1ccc(CNC(=O)c2[nH]c3cc(C)ccc3c2Sc2ccccc2)cc1 ZINC000006798844 570598966 /nfs/dbraw/zinc/59/89/66/570598966.db2.gz BNUMHLMFFUFIEM-UHFFFAOYSA-N 0 0 386.520 5.866 50 0 GKAARN Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)sc2c1 ZINC000005451492 570599440 /nfs/dbraw/zinc/59/94/40/570599440.db2.gz XYAXOKMXXAVGOX-HNNXBMFYSA-N 0 0 388.920 5.023 50 0 GKAARN Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccccc3)oc12 ZINC000005451346 570599531 /nfs/dbraw/zinc/59/95/31/570599531.db2.gz FYUPEBTUVHHAKX-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)NCC1CCCCC1 ZINC000003240417 570599823 /nfs/dbraw/zinc/59/98/23/570599823.db2.gz OGMDKLCTMGRQQU-UHFFFAOYSA-N 0 0 397.569 5.147 50 0 GKAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003241816 570599874 /nfs/dbraw/zinc/59/98/74/570599874.db2.gz QTPIWURBJWAJNH-UHFFFAOYSA-N 0 0 379.891 6.531 50 0 GKAARN Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000005459789 570600136 /nfs/dbraw/zinc/60/01/36/570600136.db2.gz BEUYECLFJIHHDZ-ICSRJNTNSA-N 0 0 377.850 5.975 50 0 GKAARN C/C=C/c1ccc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc32)c(OC)c1 ZINC000003267839 570600248 /nfs/dbraw/zinc/60/02/48/570600248.db2.gz XEEGAYKYQYNVDF-VMPITWQZSA-N 0 0 396.490 6.748 50 0 GKAARN Fc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000005460119 570600376 /nfs/dbraw/zinc/60/03/76/570600376.db2.gz JNGXLRWALCBKEI-CTNGQTDRSA-N 0 0 377.850 5.975 50 0 GKAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1C ZINC000003271571 570600816 /nfs/dbraw/zinc/60/08/16/570600816.db2.gz NDSAAPMQITULKM-UHFFFAOYSA-N 0 0 379.525 5.312 50 0 GKAARN Clc1cccc(-c2nc(N3CCCCC3)nc3c2COc2ccccc2-3)c1 ZINC000006800246 570601221 /nfs/dbraw/zinc/60/12/21/570601221.db2.gz HOQXFFMWHMCBBR-UHFFFAOYSA-N 0 0 377.875 5.347 50 0 GKAARN O=C(OCc1c(F)cccc1Cl)/C(=C/c1cccs1)c1cccs1 ZINC000003281943 570601290 /nfs/dbraw/zinc/60/12/90/570601290.db2.gz NNCBHNWJRCXUTH-JLHYYAGUSA-N 0 0 378.877 5.886 50 0 GKAARN Cc1occc1-c1nn2cc(-c3ccc(Br)cc3)c3c2n1CCCC3 ZINC000003281611 570601364 /nfs/dbraw/zinc/60/13/64/570601364.db2.gz VRXLZSKODDPLBH-UHFFFAOYSA-N 0 0 396.288 5.470 50 0 GKAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000005458306 570601873 /nfs/dbraw/zinc/60/18/73/570601873.db2.gz VMFJGHWHHQTYJC-PZJWPPBQSA-N 0 0 389.886 5.845 50 0 GKAARN Clc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3c4ccccc4nc3N2)cc1 ZINC000005458487 570601999 /nfs/dbraw/zinc/60/19/99/570601999.db2.gz CAFKQBMEQHJCTH-FPOVZHCZSA-N 0 0 394.305 6.489 50 0 GKAARN Cc1cc2occ(CC(=O)NCCc3ccc(Cl)cc3Cl)c2cc1C ZINC000003328566 570602122 /nfs/dbraw/zinc/60/21/22/570602122.db2.gz NECMLAYIUYJITJ-UHFFFAOYSA-N 0 0 376.283 5.258 50 0 GKAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 ZINC000003317034 570602782 /nfs/dbraw/zinc/60/27/82/570602782.db2.gz LZKGEZKDKOCKSO-UHFFFAOYSA-N 0 0 383.826 5.447 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)c(C)c1 ZINC000003316120 570602853 /nfs/dbraw/zinc/60/28/53/570602853.db2.gz GMPNQANRJXNKOL-UHFFFAOYSA-N 0 0 390.483 5.434 50 0 GKAARN O=C(c1cccnc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(Cl)c1 ZINC000012057579 570603051 /nfs/dbraw/zinc/60/30/51/570603051.db2.gz CJEYGRYMNXUKPC-QFIPXVFZSA-N 0 0 387.870 5.004 50 0 GKAARN O=C(c1cccnc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(Cl)c1 ZINC000012057580 570603065 /nfs/dbraw/zinc/60/30/65/570603065.db2.gz CJEYGRYMNXUKPC-JOCHJYFZSA-N 0 0 387.870 5.004 50 0 GKAARN C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)c1nnc(-c2cccs2)o1 ZINC000005467695 570603285 /nfs/dbraw/zinc/60/32/85/570603285.db2.gz LRKUNATVKBGWQT-SSDOTTSWSA-N 0 0 375.664 5.898 50 0 GKAARN COc1cccc(/C=C(/C(=O)OCc2ccccc2Cl)c2ccccc2)c1 ZINC000003319724 570603327 /nfs/dbraw/zinc/60/33/27/570603327.db2.gz SNHDHTQSGXXDKH-RCCKNPSSSA-N 0 0 378.855 5.633 50 0 GKAARN Cc1c2c(n(Cc3cccc(C)c3)c1C(=O)NCc1ccc(F)cc1)CCCC2 ZINC000006801291 570603622 /nfs/dbraw/zinc/60/36/22/570603622.db2.gz ZKTWLNYPXUHUEA-UHFFFAOYSA-N 0 0 390.502 5.101 50 0 GKAARN CC(C)c1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 ZINC000005461201 570604352 /nfs/dbraw/zinc/60/43/52/570604352.db2.gz PDEMWRQRXNPOBF-ISKFKSNPSA-N 0 0 385.486 6.445 50 0 GKAARN CC(C)CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 ZINC000003359694 570604366 /nfs/dbraw/zinc/60/43/66/570604366.db2.gz JQHWQTOTZQYHJA-UHFFFAOYSA-N 0 0 384.526 5.256 50 0 GKAARN O=C(CCCOC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 ZINC000003329194 570605224 /nfs/dbraw/zinc/60/52/24/570605224.db2.gz TYYSSERYDYNWQZ-UHFFFAOYSA-N 0 0 378.399 5.438 50 0 GKAARN COc1cccc(/C=C(/C(=O)OCc2c(F)cccc2Cl)c2ccccc2)c1 ZINC000003330674 570605300 /nfs/dbraw/zinc/60/53/00/570605300.db2.gz WLWFNTOJQFNUFQ-XMHGGMMESA-N 0 0 396.845 5.772 50 0 GKAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+]C3CCC(C)CC3)c2C(=O)[O-])cc1 ZINC000006803488 570605643 /nfs/dbraw/zinc/60/56/43/570605643.db2.gz VPDCDXOMGFSPIG-UHFFFAOYSA-N 0 0 390.527 5.365 50 0 GKAARN C[C@@H](C[NH2+]Cc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-])c1ccccc1 ZINC000006803674 570605663 /nfs/dbraw/zinc/60/56/63/570605663.db2.gz ICEMGQDBOGVEEZ-IBGZPJMESA-N 0 0 398.506 5.281 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806223 570606998 /nfs/dbraw/zinc/60/69/98/570606998.db2.gz WIKMWDBZGCDCAB-UHFFFAOYSA-N 0 0 385.920 5.501 50 0 GKAARN CSc1cccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)c1 ZINC000006806239 570607061 /nfs/dbraw/zinc/60/70/61/570607061.db2.gz QLVPHDYZINBRTD-UHFFFAOYSA-N 0 0 383.542 5.261 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCc1ccc(C(F)(F)F)cc1 ZINC000003422298 570607328 /nfs/dbraw/zinc/60/73/28/570607328.db2.gz QHIYVSKLNKQPMP-XBXARRHUSA-N 0 0 388.216 5.384 50 0 GKAARN CC(C)c1ccc(NC(=S)Nc2ccccc2I)cc1 ZINC000003425631 570607366 /nfs/dbraw/zinc/60/73/66/570607366.db2.gz MJDNIHPIQBINBW-UHFFFAOYSA-N 0 0 396.297 5.224 50 0 GKAARN CC(C)c1ccc(C(=O)Oc2c3ccccc3oc(=O)c2Cc2ccccc2)cc1 ZINC000005477855 570607798 /nfs/dbraw/zinc/60/77/98/570607798.db2.gz XALLDRVLJVMZNA-UHFFFAOYSA-N 0 0 398.458 5.726 50 0 GKAARN Cc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c(C)c1 ZINC000005477960 570608180 /nfs/dbraw/zinc/60/81/80/570608180.db2.gz ZAVGVWSNAMFYDT-UHFFFAOYSA-N 0 0 383.447 5.433 50 0 biogenic GKAARN CC(C)CCNC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000006804761 570608333 /nfs/dbraw/zinc/60/83/33/570608333.db2.gz VRPZZZFDAZFQRK-UHFFFAOYSA-N 0 0 383.923 5.299 50 0 GKAARN CC(C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000006804843 570608404 /nfs/dbraw/zinc/60/84/04/570608404.db2.gz HBYPYMGBPNDELT-UHFFFAOYSA-N 0 0 381.497 5.589 50 0 GKAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc(-c2ccccc2)cc1 ZINC000005478660 570608534 /nfs/dbraw/zinc/60/85/34/570608534.db2.gz FDVRUXUEIOSFPB-DRTHVRHMSA-N 0 0 394.518 5.381 50 0 GKAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000006808135 570609557 /nfs/dbraw/zinc/60/95/57/570609557.db2.gz SVRJFYJHXIKFHL-UHFFFAOYSA-N 0 0 386.860 5.499 50 0 aggregator GKAARN O=C(Nc1ccccc1F)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808469 570610068 /nfs/dbraw/zinc/61/00/68/570610068.db2.gz DMOCSGQIERCCHM-UHFFFAOYSA-N 0 0 375.877 6.066 50 0 GKAARN CC(C)OCCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808528 570610085 /nfs/dbraw/zinc/61/00/85/570610085.db2.gz UWWDFBOXBKJQPX-UHFFFAOYSA-N 0 0 381.950 5.219 50 0 GKAARN O=C(NCCC1=CCCCC1)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808466 570610147 /nfs/dbraw/zinc/61/01/47/570610147.db2.gz DOBKRTSBFGBCOB-UHFFFAOYSA-N 0 0 389.973 6.295 50 0 GKAARN CCc1ccccc1N(C)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808515 570610166 /nfs/dbraw/zinc/61/01/66/570610166.db2.gz ATQOWJNXDIZNAR-UHFFFAOYSA-N 0 0 399.968 6.513 50 0 GKAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000006808495 570610242 /nfs/dbraw/zinc/61/02/42/570610242.db2.gz FPASQFDJZHAPTM-TXEJJXNPSA-N 0 0 377.962 5.792 50 0 GKAARN CCc1ccc(NC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000006808869 570610501 /nfs/dbraw/zinc/61/05/01/570610501.db2.gz DJHJXAYMEFEMGA-UHFFFAOYSA-N 0 0 398.510 5.065 50 0 GKAARN Cc1nn2c(nc(C)c(CC(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccccc1 ZINC000006808889 570610641 /nfs/dbraw/zinc/61/06/41/570610641.db2.gz MKZQZRFLOZHSHN-UHFFFAOYSA-N 0 0 398.510 5.120 50 0 GKAARN Cc1cccc2c(=O)c(-c3cccc4ccccc43)c(NC(=O)c3ccco3)oc12 ZINC000005482844 570610921 /nfs/dbraw/zinc/61/09/21/570610921.db2.gz ORCQZKWSTNWGFY-UHFFFAOYSA-N 0 0 395.414 5.767 50 0 GKAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)Nc3cccc(C)c3C)c(C)c12 ZINC000006809018 570611093 /nfs/dbraw/zinc/61/10/93/570611093.db2.gz SMKZYABKHVQTBG-UHFFFAOYSA-N 0 0 392.547 5.300 50 0 GKAARN Cc1ccc(Cn2nnc3cc(C(=O)Nc4cccc5ccccc54)ccc32)cc1 ZINC000064956737 570611353 /nfs/dbraw/zinc/61/13/53/570611353.db2.gz JBBAJIHFQIUBGQ-UHFFFAOYSA-N 0 0 392.462 5.194 50 0 GKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955833 570611811 /nfs/dbraw/zinc/61/18/11/570611811.db2.gz UTVREEYGWZMJOU-QHCPKHFHSA-N 0 0 399.469 5.031 50 0 GKAARN Cc1ccc(Cn2ncc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc32)cc1 ZINC000064955937 570612316 /nfs/dbraw/zinc/61/23/16/570612316.db2.gz WOIWGUIUMMNZFM-XMMPIXPASA-N 0 0 395.506 5.200 50 0 GKAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2ccc(C)cc2C)CO1 ZINC000005484583 570612339 /nfs/dbraw/zinc/61/23/39/570612339.db2.gz VMBWGTIKVHDRLM-UHFFFAOYSA-N 0 0 383.875 5.372 50 0 GKAARN Cc1ccc(Cn2ncc3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc32)cc1 ZINC000064955931 570612522 /nfs/dbraw/zinc/61/25/22/570612522.db2.gz QJOYXIQNIUNFKM-FQEVSTJZSA-N 0 0 397.522 5.144 50 0 GKAARN O=C(Oc1cc2sc(=O)oc2c(-c2ccc(F)cc2)c1)c1ccccc1F ZINC000006809700 570613561 /nfs/dbraw/zinc/61/35/61/570613561.db2.gz UQTBUWVLIIJMKZ-UHFFFAOYSA-N 0 0 384.359 5.019 50 0 GKAARN COc1ccccc1C(=O)Oc1cc2sc(=O)oc2c(-c2ccccc2C)c1 ZINC000006809726 570613716 /nfs/dbraw/zinc/61/37/16/570613716.db2.gz RBEWYFCCMNCHJI-UHFFFAOYSA-N 0 0 392.432 5.058 50 0 GKAARN COc1cccc(-c2cc(OC(=O)c3cccc(C)c3)cc3sc(=O)oc32)c1 ZINC000006809716 570613754 /nfs/dbraw/zinc/61/37/54/570613754.db2.gz XOCBTPUJCXEBRT-UHFFFAOYSA-N 0 0 392.432 5.058 50 0 GKAARN O=C(NCc1cccnc1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005488528 570613914 /nfs/dbraw/zinc/61/39/14/570613914.db2.gz FELGAFNEYRIONA-FQEVSTJZSA-N 0 0 397.305 5.011 50 0 GKAARN CCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000006810580 570614367 /nfs/dbraw/zinc/61/43/67/570614367.db2.gz KHNUQSDVGRTLRD-UHFFFAOYSA-N 0 0 383.875 5.564 50 0 GKAARN Cc1cccc(C)c1OCC(=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000006810578 570614587 /nfs/dbraw/zinc/61/45/87/570614587.db2.gz YESAUSCXIZXGAS-UHFFFAOYSA-N 0 0 383.875 5.158 50 0 GKAARN CC(C)c1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000006810592 570614882 /nfs/dbraw/zinc/61/48/82/570614882.db2.gz DXIAVFGQNLZIDM-UHFFFAOYSA-N 0 0 397.902 5.664 50 0 GKAARN Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1C ZINC000006810631 570614888 /nfs/dbraw/zinc/61/48/88/570614888.db2.gz XBKWWXFQOWVUCK-UHFFFAOYSA-N 0 0 383.875 5.158 50 0 GKAARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000006810687 570615333 /nfs/dbraw/zinc/61/53/33/570615333.db2.gz XADWUHQDBMVLOM-UHFFFAOYSA-N 0 0 397.902 5.466 50 0 GKAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3)sc2c1 ZINC000033000453 570617432 /nfs/dbraw/zinc/61/74/32/570617432.db2.gz YKSZGHMFCSQYAE-UHFFFAOYSA-N 0 0 399.541 5.074 50 0 GKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033003952 570617657 /nfs/dbraw/zinc/61/76/57/570617657.db2.gz IGQFMPDXFMRHFX-FQEVSTJZSA-N 0 0 388.492 5.759 50 0 GKAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000033003972 570618010 /nfs/dbraw/zinc/61/80/10/570618010.db2.gz GLEJMCYCUHUITB-OAQYLSRUSA-N 0 0 386.451 5.599 50 0 GKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000033003992 570618132 /nfs/dbraw/zinc/61/81/32/570618132.db2.gz YRAWRWRHQZIEKQ-FQEVSTJZSA-N 0 0 390.414 5.430 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000033004020 570618273 /nfs/dbraw/zinc/61/82/73/570618273.db2.gz VDWURIKKLUQSPE-UHFFFAOYSA-N 0 0 396.805 5.305 50 0 GKAARN O=C(NCc1ccccc1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000064968479 570618543 /nfs/dbraw/zinc/61/85/43/570618543.db2.gz KLQORWDOCCEVTO-UHFFFAOYSA-N 0 0 376.843 5.002 50 0 GKAARN O=C(NC1CCCCCCC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968042 570618802 /nfs/dbraw/zinc/61/88/02/570618802.db2.gz DFCKNYGWMWYLPQ-UHFFFAOYSA-N 0 0 376.500 5.456 50 0 GKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000005500860 570619126 /nfs/dbraw/zinc/61/91/26/570619126.db2.gz UWAMUNPBEBFNCZ-UHFFFAOYSA-N 0 0 391.496 5.286 50 0 GKAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(N4CCCCCC4)n3)o2)cc1 ZINC000064969962 570620322 /nfs/dbraw/zinc/62/03/22/570620322.db2.gz YZEZZFROCSBMBH-UHFFFAOYSA-N 0 0 385.471 5.036 50 0 GKAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(C)cc3Cl)cc2s1 ZINC000033008028 570620970 /nfs/dbraw/zinc/62/09/70/570620970.db2.gz IEVSBFKTGKVOOJ-UHFFFAOYSA-N 0 0 388.880 5.251 50 0 GKAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3cccc(SC)c3)cc2s1 ZINC000033008078 570621325 /nfs/dbraw/zinc/62/13/25/570621325.db2.gz KPHOMNLBNZKLCL-UHFFFAOYSA-N 0 0 386.502 5.011 50 0 GKAARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)sc3Cl)n2)cc1C ZINC000004173461 570621618 /nfs/dbraw/zinc/62/16/18/570621618.db2.gz LPDUHAVFTPYFBN-UHFFFAOYSA-N 0 0 399.324 5.748 50 0 GKAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1ccc(-c2ccccc2)cc1 ZINC000004590616 570621789 /nfs/dbraw/zinc/62/17/89/570621789.db2.gz CCICPYUKEXORND-JJIBRWJFSA-N 0 0 390.442 5.764 50 0 GKAARN CCOc1ccc([C@@H](C)NC(=O)Cc2cccc3ccccc32)cc1OCC ZINC000005510585 570621930 /nfs/dbraw/zinc/62/19/30/570621930.db2.gz RYVYMCADVUARRJ-QGZVFWFLSA-N 0 0 377.484 5.057 50 0 GKAARN CCCN(CCC)C(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1 ZINC000033010545 570622280 /nfs/dbraw/zinc/62/22/80/570622280.db2.gz WJXBBVYFIXSYCY-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN O=C(Nc1ccc(C(=O)NC2CCCCCC2)cc1)c1nsc2ccccc21 ZINC000064972523 570622498 /nfs/dbraw/zinc/62/24/98/570622498.db2.gz 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CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1Cl ZINC000012619266 570691057 /nfs/dbraw/zinc/69/10/57/570691057.db2.gz PBSOXOQGNSPMQL-UHFFFAOYSA-N 0 0 376.847 5.024 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)CCOc4ccccc4)cc3)sc2c1 ZINC000005795780 570691224 /nfs/dbraw/zinc/69/12/24/570691224.db2.gz GIGXUGVEKBEFDF-UHFFFAOYSA-N 0 0 388.492 5.679 50 0 GKAARN CC(C)[C@@H]1Cc2c(sc3nc(SC/C=C\c4ccccc4)nc(N)c23)CO1 ZINC000005796532 570691277 /nfs/dbraw/zinc/69/12/77/570691277.db2.gz HCGYCTGQSXLEHQ-HWYHOQROSA-N 0 0 397.569 5.176 50 0 GKAARN CCCC[C@H](NC(=O)c1cccc(NCc2cccnc2)c1C)c1cccnc1 ZINC000055343268 570691863 /nfs/dbraw/zinc/69/18/63/570691863.db2.gz HDTYTWJRKJKGOO-QHCPKHFHSA-N 0 0 388.515 5.058 50 0 GKAARN C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 ZINC000012627582 570691885 /nfs/dbraw/zinc/69/18/85/570691885.db2.gz KVCZMRIYPHBYJP-INIZCTEOSA-N 0 0 399.947 5.275 50 0 GKAARN Cc1cc2c(cc3c(SCc4nc(-c5ccccc5)oc4C)nncn23)o1 ZINC000006894018 570693361 /nfs/dbraw/zinc/69/33/61/570693361.db2.gz 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570695519 /nfs/dbraw/zinc/69/55/19/570695519.db2.gz MAGLXEMUZOCQIV-UHFFFAOYSA-N 0 0 399.244 5.153 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)oc2c1 ZINC000012651236 570695595 /nfs/dbraw/zinc/69/55/95/570695595.db2.gz SLMPYDHAPYPXCJ-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)C1(c2cccs2)CCCC1 ZINC000207970338 570696087 /nfs/dbraw/zinc/69/60/87/570696087.db2.gz ZUFCJITXMMBQLZ-FQEVSTJZSA-N 0 0 397.565 5.020 50 0 GKAARN O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C1(c2cccs2)CCCC1 ZINC000207970377 570696141 /nfs/dbraw/zinc/69/61/41/570696141.db2.gz ZUFCJITXMMBQLZ-HXUWFJFHSA-N 0 0 397.565 5.020 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(F)cc2)cc1 ZINC000004356793 570696404 /nfs/dbraw/zinc/69/64/04/570696404.db2.gz HUQGQJRFPGATKI-UHFFFAOYSA-N 0 0 375.472 5.674 50 0 GKAARN FC(F)(F)c1cccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000055543863 570696746 /nfs/dbraw/zinc/69/67/46/570696746.db2.gz JXAKCXNWRWMIHV-UHFFFAOYSA-N 0 0 389.248 5.334 50 0 GKAARN 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0 GKAARN CCc1cccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)c1 ZINC000065114594 570700051 /nfs/dbraw/zinc/70/00/51/570700051.db2.gz OGPOWDYVDWSWQO-INIZCTEOSA-N 0 0 388.515 5.116 50 0 GKAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCCCCn1cccc1 ZINC000604419070 570700804 /nfs/dbraw/zinc/70/08/04/570700804.db2.gz UDHAKOWGGJJZHG-QFIPXVFZSA-N 0 0 392.547 5.343 50 0 GKAARN OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CCCC1 ZINC000057381104 570701860 /nfs/dbraw/zinc/70/18/60/570701860.db2.gz UTSUYWZQSWIKHP-DEOSSOPVSA-N 0 0 386.539 5.296 50 0 biogenic GKAARN CCN1c2ccccc2N[C@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@H]21 ZINC000017241567 570702113 /nfs/dbraw/zinc/70/21/13/570702113.db2.gz RSIONSCWANFRLG-RIBBAFADSA-N 0 0 398.547 5.085 50 0 GKAARN Cc1ccc(-c2nc(CN3CCC[C@@H](COc4ccccc4C)C3)c(C)o2)o1 ZINC000012709734 570702256 /nfs/dbraw/zinc/70/22/56/570702256.db2.gz JVCWWAMDDGVJOH-LJQANCHMSA-N 0 0 380.488 5.151 50 0 GKAARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000017281743 570702558 /nfs/dbraw/zinc/70/25/58/570702558.db2.gz HJHJKSSYWCMXQF-PDGQHHTCSA-N 0 0 396.277 5.590 50 0 GKAARN COc1cccc(Nc2nnc(SCc3ncc(-c4ccccc4)o3)s2)c1 ZINC000006911389 570702746 /nfs/dbraw/zinc/70/27/46/570702746.db2.gz KTXFIMKXJKFEBK-UHFFFAOYSA-N 0 0 396.497 5.238 50 0 GKAARN Cc1c(Cl)cccc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000006916626 570703103 /nfs/dbraw/zinc/70/31/03/570703103.db2.gz XRIJJROKNNOEDA-HXUWFJFHSA-N 0 0 393.849 6.039 50 0 aggregator GKAARN O=C(Nc1ccc(F)c(F)c1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000072333685 570704926 /nfs/dbraw/zinc/70/49/26/570704926.db2.gz JGVQHANDRQCSGC-LJQANCHMSA-N 0 0 395.434 5.313 50 0 GKAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(F)c(F)cc1Cl ZINC000017369693 570704961 /nfs/dbraw/zinc/70/49/61/570704961.db2.gz UGZWGUISXRXQAJ-KRWDZBQOSA-N 0 0 381.806 5.338 50 0 GKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1Br ZINC000057986229 570705426 /nfs/dbraw/zinc/70/54/26/570705426.db2.gz GUMZGULXCBMQTC-UHFFFAOYSA-N 0 0 395.253 5.174 50 0 GKAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccnc1Cl ZINC000017588336 570705617 /nfs/dbraw/zinc/70/56/17/570705617.db2.gz VOHCMSKODXTGNU-UHFFFAOYSA-N 0 0 379.872 5.188 50 0 GKAARN Cn1ccnc1[C@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000017590155 570705984 /nfs/dbraw/zinc/70/59/84/570705984.db2.gz GODPWXAZVLKRAS-JOCHJYFZSA-N 0 0 391.478 5.232 50 0 GKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(Cl)cc1 ZINC000032622989 570707052 /nfs/dbraw/zinc/70/70/52/570707052.db2.gz KDUQCYZERAJOQO-UHFFFAOYSA-N 0 0 375.815 5.309 50 0 GKAARN CCOc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000032622692 570707107 /nfs/dbraw/zinc/70/71/07/570707107.db2.gz HJBFIRRJPMIVGM-UHFFFAOYSA-N 0 0 399.450 5.363 50 0 GKAARN CCCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c2cccnc12 ZINC000032623484 570707691 /nfs/dbraw/zinc/70/76/91/570707691.db2.gz LAHKJARYVYRUDB-UHFFFAOYSA-N 0 0 387.439 5.239 50 0 GKAARN CCCOc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c2cccnc12 ZINC000032623475 570707730 /nfs/dbraw/zinc/70/77/30/570707730.db2.gz XDNPOVUFFCAIND-UHFFFAOYSA-N 0 0 378.403 5.470 50 0 GKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N(Cc1ccncc1)C1CC1 ZINC000058061766 570708475 /nfs/dbraw/zinc/70/84/75/570708475.db2.gz HANVGYKZZPHJAL-UHFFFAOYSA-N 0 0 379.463 5.102 50 0 GKAARN CCCCC1CCC(C(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000032624223 570708764 /nfs/dbraw/zinc/70/87/64/570708764.db2.gz QPKHMYHHRWWCHD-UHFFFAOYSA-N 0 0 384.589 5.999 50 0 GKAARN O=C(CC1CCCCC1)N1CCC[C@@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148251 570710352 /nfs/dbraw/zinc/71/03/52/570710352.db2.gz HYMSFVXGTXQHIL-GOSISDBHSA-N 0 0 396.510 5.036 50 0 GKAARN COc1ccccc1Oc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000011171011 570710926 /nfs/dbraw/zinc/71/09/26/570710926.db2.gz IDDPNVXXRGYKSN-OAQYLSRUSA-N 0 0 377.465 5.143 50 0 GKAARN C[C@H](Cc1nc(-c2cccc(Br)c2)cs1)n1cc(Cl)cn1 ZINC000058157106 570711304 /nfs/dbraw/zinc/71/13/04/570711304.db2.gz TWOHBXFYNVVTHU-SNVBAGLBSA-N 0 0 382.714 5.226 50 0 GKAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000058155949 570711390 /nfs/dbraw/zinc/71/13/90/570711390.db2.gz HYWCDXDBBBOSIH-UHFFFAOYSA-N 0 0 399.519 5.356 50 0 GKAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)c1 ZINC000004365799 570711542 /nfs/dbraw/zinc/71/15/42/570711542.db2.gz YWNUZUWUAHWLAX-UHFFFAOYSA-N 0 0 389.499 5.598 50 0 GKAARN Cc1cccc(CSc2nnc(-c3ccccc3F)n2-c2cccc(C)c2)c1 ZINC000004366088 570711627 /nfs/dbraw/zinc/71/16/27/570711627.db2.gz XJPHBVUOPKRTMU-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN COc1ccc(C(C)=O)cc1COc1ccc2cc(Br)ccc2c1 ZINC000001141240 570712486 /nfs/dbraw/zinc/71/24/86/570712486.db2.gz MWOJEVKGQDOBIP-UHFFFAOYSA-N 0 0 385.257 5.393 50 0 GKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000001142582 570712522 /nfs/dbraw/zinc/71/25/22/570712522.db2.gz LGFMOABJEDPAJQ-UHFFFAOYSA-N 0 0 397.327 5.463 50 0 GKAARN CC1=NN(c2ccc(C(=O)Nc3ccc(Oc4ccc(C)cc4)nc3)cc2)CC1 ZINC000058159741 570712492 /nfs/dbraw/zinc/71/24/92/570712492.db2.gz CNOXIUGVTZVFDX-UHFFFAOYSA-N 0 0 386.455 5.021 50 0 GKAARN CC(C)c1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1 ZINC000001154015 570712768 /nfs/dbraw/zinc/71/27/68/570712768.db2.gz RIDBAQXTCZVMHK-UHFFFAOYSA-N 0 0 399.659 5.320 50 0 GKAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1Cl ZINC000006939846 570713406 /nfs/dbraw/zinc/71/34/06/570713406.db2.gz ABDFEKFIVKGBDN-UHFFFAOYSA-N 0 0 394.837 5.016 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br ZINC000001197558 570713681 /nfs/dbraw/zinc/71/36/81/570713681.db2.gz SBHVCXKBFFQPAP-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 ZINC000001234039 570714132 /nfs/dbraw/zinc/71/41/32/570714132.db2.gz PTRWSVWPFJWCFS-UHFFFAOYSA-N 0 0 378.575 5.374 50 0 GKAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2NCc2ccc(C)cc2)n1 ZINC000006935500 570714198 /nfs/dbraw/zinc/71/41/98/570714198.db2.gz LIWQOZZVZBAMPF-UHFFFAOYSA-N 0 0 377.879 5.006 50 0 GKAARN Cc1ccc(CNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000006935651 570714238 /nfs/dbraw/zinc/71/42/38/570714238.db2.gz YNZOLQLDYMYSGJ-UHFFFAOYSA-N 0 0 393.918 5.168 50 0 GKAARN O=C(CSc1ccccc1Cl)Nc1c(-c2ccccc2)ncn1C1CC1 ZINC000058168573 570714934 /nfs/dbraw/zinc/71/49/34/570714934.db2.gz LPGIMXNBZYBSCI-UHFFFAOYSA-N 0 0 383.904 5.269 50 0 GKAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000006943726 570715345 /nfs/dbraw/zinc/71/53/45/570715345.db2.gz QOMXTUCIVKRRIU-UHFFFAOYSA-N 0 0 381.762 5.086 50 0 GKAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3cc(C)ccc3C)o2)cc1 ZINC000012795309 570715744 /nfs/dbraw/zinc/71/57/44/570715744.db2.gz SZFIEMLOYDGTMY-OAHLLOKOSA-N 0 0 382.485 5.116 50 0 GKAARN O=C(CCCC(=O)c1ccccc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000006946630 570716236 /nfs/dbraw/zinc/71/62/36/570716236.db2.gz WZBDEUADFFFYIK-UHFFFAOYSA-N 0 0 393.870 6.124 50 0 GKAARN CCc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000065153631 570716677 /nfs/dbraw/zinc/71/66/77/570716677.db2.gz ZRYZEOJISWDDPR-UHFFFAOYSA-N 0 0 380.451 5.020 50 0 GKAARN Cc1ccc(C)c(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000065153657 570716797 /nfs/dbraw/zinc/71/67/97/570716797.db2.gz VHEJJBGMPJGYBD-UHFFFAOYSA-N 0 0 380.451 5.075 50 0 GKAARN COc1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000002605487 570717521 /nfs/dbraw/zinc/71/75/21/570717521.db2.gz DNEYEKWXACQUEK-UHFFFAOYSA-N 0 0 376.459 6.573 50 0 GKAARN Cc1ccc(Sc2ncccc2C(=O)Nc2cccc3ncccc32)cc1C ZINC000006947597 570718083 /nfs/dbraw/zinc/71/80/83/570718083.db2.gz XOUCBAICSNPCRN-UHFFFAOYSA-N 0 0 385.492 5.650 50 0 GKAARN COc1ccc(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000006947092 570718211 /nfs/dbraw/zinc/71/82/11/570718211.db2.gz QDIYGPQUQAADCP-UHFFFAOYSA-N 0 0 375.424 5.089 50 0 biogenic GKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1 ZINC000006948460 570718469 /nfs/dbraw/zinc/71/84/69/570718469.db2.gz WXTHCPZQGJYBPR-UHFFFAOYSA-N 0 0 382.485 5.005 50 0 GKAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000065172824 570721329 /nfs/dbraw/zinc/72/13/29/570721329.db2.gz PJWWHXJLSQNMPO-UHFFFAOYSA-N 0 0 398.510 5.884 50 0 GKAARN O=c1oc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)c2c1CCC2 ZINC000002826335 570721387 /nfs/dbraw/zinc/72/13/87/570721387.db2.gz VMKQTUQNZFOANL-UHFFFAOYSA-N 0 0 398.458 5.440 50 0 GKAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCCOc1ccc(C)cc1 ZINC000006966333 570721906 /nfs/dbraw/zinc/72/19/06/570721906.db2.gz ILFLAZRIRYOPFL-UHFFFAOYSA-N 0 0 375.390 5.472 50 0 GKAARN Cc1ccc(Cn2ccc(NC(=S)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000006966067 570721952 /nfs/dbraw/zinc/72/19/52/570721952.db2.gz QNNJRILGXHVGSX-UHFFFAOYSA-N 0 0 390.434 5.068 50 0 GKAARN Cc1cc(NC(=S)Nc2cc(C)cc(C)c2)nn1Cc1ccc(Cl)cc1 ZINC000006963237 570721991 /nfs/dbraw/zinc/72/19/91/570721991.db2.gz SIEJVYBEBONUCW-UHFFFAOYSA-N 0 0 384.936 5.319 50 0 GKAARN Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(C)cc(=O)oc4c3)sc2c1 ZINC000002980782 570721921 /nfs/dbraw/zinc/72/19/21/570721921.db2.gz GKCTVJWCFNIWST-UHFFFAOYSA-N 0 0 384.840 5.497 50 0 GKAARN CCn1c(CCc2ccccc2)nnc1SCc1ccc(F)cc1Cl ZINC000006961573 570722048 /nfs/dbraw/zinc/72/20/48/570722048.db2.gz RCCDFBAJVOBQQZ-UHFFFAOYSA-N 0 0 375.900 5.168 50 0 GKAARN COc1ccc(OC)c(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000012822113 570722924 /nfs/dbraw/zinc/72/29/24/570722924.db2.gz BSGUDRMCJPGVTF-UHFFFAOYSA-N 0 0 388.678 5.235 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)cc2Cl)s1 ZINC000065184655 570722956 /nfs/dbraw/zinc/72/29/56/570722956.db2.gz PJTYMNAEMSGOJF-UHFFFAOYSA-N 0 0 389.883 5.802 50 0 GKAARN Cc1nc(Nc2cccc(C)c2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000065184628 570723226 /nfs/dbraw/zinc/72/32/26/570723226.db2.gz MTPCEYJSNBKGDX-UHFFFAOYSA-N 0 0 392.311 6.063 50 0 GKAARN CC(C)(C)[C@@H]1CC(C(=O)Nc2ccc(Br)cc2)C[C@@H](C(C)(C)C)C1 ZINC000003141064 570723826 /nfs/dbraw/zinc/72/38/26/570723826.db2.gz DFGGEBQYBYXKIC-HZPDHXFCSA-N 0 0 394.397 6.512 50 0 GKAARN CCCC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000012860909 570724643 /nfs/dbraw/zinc/72/46/43/570724643.db2.gz YIGGWYUVCFWKIO-UHFFFAOYSA-N 0 0 389.933 5.230 50 0 GKAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000012861017 570724772 /nfs/dbraw/zinc/72/47/72/570724772.db2.gz HKFHPFYYQXKXIC-UHFFFAOYSA-N 0 0 395.418 5.061 50 0 GKAARN Cc1cccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)c1 ZINC000006978495 570725382 /nfs/dbraw/zinc/72/53/82/570725382.db2.gz PZKJTICJHGLFPT-UHFFFAOYSA-N 0 0 390.512 5.034 50 0 GKAARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cccc(F)c1 ZINC000058297968 570725467 /nfs/dbraw/zinc/72/54/67/570725467.db2.gz UUZKLECHMFWYOS-UHFFFAOYSA-N 0 0 398.457 5.232 50 0 GKAARN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccccc1F ZINC000003655919 570725863 /nfs/dbraw/zinc/72/58/63/570725863.db2.gz XEUYMRCFIYAMMG-UHFFFAOYSA-N 0 0 378.447 5.182 50 0 GKAARN COc1cc(-c2nc3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000003770719 570725952 /nfs/dbraw/zinc/72/59/52/570725952.db2.gz DLGICRKDGQDIGC-UHFFFAOYSA-N 0 0 397.499 6.704 50 0 GKAARN Cc1cccc(-c2nc3c(OCc4ccccc4)cccn3c2NC(C)(C)C)c1 ZINC000004382195 570726956 /nfs/dbraw/zinc/72/69/56/570726956.db2.gz PXRJEZZESVJLJG-UHFFFAOYSA-N 0 0 385.511 6.099 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(Nc2ccccc2C)CC1 ZINC000058316714 570726941 /nfs/dbraw/zinc/72/69/41/570726941.db2.gz LVTPBNONMMKFHE-UHFFFAOYSA-N 0 0 399.966 5.882 50 0 GKAARN Nc1c(Cl)cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000004299977 570727209 /nfs/dbraw/zinc/72/72/09/570727209.db2.gz XFOAKZMVEDYTSH-UHFFFAOYSA-N 0 0 384.477 5.788 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1cccs1 ZINC000000934426 570727208 /nfs/dbraw/zinc/72/72/08/570727208.db2.gz LRTGGGJXIHELCK-ZHACJKMWSA-N 0 0 383.494 5.305 50 0 GKAARN Cc1ncc(CN(C)C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)s1 ZINC000058332215 570727703 /nfs/dbraw/zinc/72/77/03/570727703.db2.gz HXVUSURDMZQJQE-UHFFFAOYSA-N 0 0 390.528 5.023 50 0 GKAARN CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000004548247 570728656 /nfs/dbraw/zinc/72/86/56/570728656.db2.gz CEBNPHPWCHMFJU-UHFFFAOYSA-N 0 0 386.451 5.763 50 0 GKAARN Cc1noc(C)c1CCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000032674769 570728700 /nfs/dbraw/zinc/72/87/00/570728700.db2.gz BXDHKLICZIBVMJ-UHFFFAOYSA-N 0 0 377.469 5.139 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000058381655 570730167 /nfs/dbraw/zinc/73/01/67/570730167.db2.gz CINLZIPLUIIAOX-LLVKDONJSA-N 0 0 393.295 5.523 50 0 GKAARN COc1ccccc1NC(=O)c1sc2nc(C)cc(-c3ccccc3)c2c1N ZINC000000938274 570730663 /nfs/dbraw/zinc/73/06/63/570730663.db2.gz SGWCIOICQLJZQW-UHFFFAOYSA-N 0 0 389.480 5.115 50 0 GKAARN CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000005043194 570730706 /nfs/dbraw/zinc/73/07/06/570730706.db2.gz IIGGBYYIXUQAHK-UHFFFAOYSA-N 0 0 380.469 5.042 50 0 GKAARN O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)N1CCCCCCC1 ZINC000058406828 570731504 /nfs/dbraw/zinc/73/15/04/570731504.db2.gz NAFWMWRZYFNOKD-UHFFFAOYSA-N 0 0 390.483 5.020 50 0 GKAARN CNC(=O)c1cnc(/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)s1 ZINC000058411896 570731568 /nfs/dbraw/zinc/73/15/68/570731568.db2.gz HHCZYRQSLNRWJC-SOFGYWHQSA-N 0 0 379.268 5.240 50 0 GKAARN O=C1c2ccccc2-c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc21 ZINC000006998586 570731604 /nfs/dbraw/zinc/73/16/04/570731604.db2.gz 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/nfs/dbraw/zinc/75/50/74/570755074.db2.gz SCFOBEDQTVBLCY-MDZDMXLPSA-N 0 0 379.872 5.368 50 0 GKAARN O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ccc(-n2cccc2)cc1 ZINC000206898160 570755225 /nfs/dbraw/zinc/75/52/25/570755225.db2.gz KLISNGJABOKZNB-UHFFFAOYSA-N 0 0 378.435 5.044 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1 ZINC000036617435 570755505 /nfs/dbraw/zinc/75/55/05/570755505.db2.gz YMZMMVBQJQLAIX-ZDUSSCGKSA-N 0 0 375.428 5.557 50 0 GKAARN Cc1ncsc1CN(Cc1nc(-c2ccsc2)oc1C)Cc1ccccc1 ZINC000064626474 570756184 /nfs/dbraw/zinc/75/61/84/570756184.db2.gz YHRGYCOLJSTFBP-UHFFFAOYSA-N 0 0 395.553 5.679 50 0 GKAARN Cc1ccc2cc(CN(C(=O)C(C)(C)C)c3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000013513558 570756644 /nfs/dbraw/zinc/75/66/44/570756644.db2.gz YCSVNOMHBMJORX-UHFFFAOYSA-N 0 0 376.500 5.033 50 0 GKAARN c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1-c1ccccc1 ZINC000007036651 570756708 /nfs/dbraw/zinc/75/67/08/570756708.db2.gz DQAUSIQSIOZGIK-UHFFFAOYSA-N 0 0 379.488 6.330 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1cncc(-c2ccsc2)c1 ZINC000206947261 570756841 /nfs/dbraw/zinc/75/68/41/570756841.db2.gz YICLGBMYUCFDRQ-UHFFFAOYSA-N 0 0 398.531 5.649 50 0 GKAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000033068758 570756813 /nfs/dbraw/zinc/75/68/13/570756813.db2.gz KPPGKAVVMUXUPX-UHFFFAOYSA-N 0 0 399.519 5.260 50 0 GKAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1Cl)O2 ZINC000004427631 570757019 /nfs/dbraw/zinc/75/70/19/570757019.db2.gz AUESPXDYKILWEC-RBBKRZOGSA-N 0 0 395.289 6.236 50 0 GKAARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000064984106 570757196 /nfs/dbraw/zinc/75/71/96/570757196.db2.gz LHQINWGRCQLIQF-LJQANCHMSA-N 0 0 381.900 5.094 50 0 GKAARN COc1ccc(C2(c3ccc(OC)cc3)C=C[C@@H]3c4ccccc4C=C[C@@H]3O2)cc1 ZINC000007036801 570757240 /nfs/dbraw/zinc/75/72/40/570757240.db2.gz DWJXATUUXRGHSN-FTJBHMTQSA-N 0 0 396.486 5.713 50 0 GKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)Nc1ccccc1 ZINC000013548477 570757475 /nfs/dbraw/zinc/75/74/75/570757475.db2.gz 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ZINC000013553112 570758402 /nfs/dbraw/zinc/75/84/02/570758402.db2.gz MSQUQKDVKWLAQF-BVAGGSTKSA-N 0 0 398.506 5.669 50 0 GKAARN COc1ccc2cc([C@H](C)C(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)ccc2c1 ZINC000032718852 570758436 /nfs/dbraw/zinc/75/84/36/570758436.db2.gz KBGQRHZWGMMACA-KBPBESRZSA-N 0 0 379.422 5.141 50 0 GKAARN COc1ccc2cc([C@@H](C)C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)ccc2c1 ZINC000032718853 570758438 /nfs/dbraw/zinc/75/84/38/570758438.db2.gz KBGQRHZWGMMACA-ZIAGYGMSSA-N 0 0 379.422 5.141 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3Cl)c2C)c1-c1cccc(C)c1 ZINC000021914323 570758628 /nfs/dbraw/zinc/75/86/28/570758628.db2.gz IXPDBKIXRVNISY-UHFFFAOYSA-N 0 0 390.874 5.227 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)cc3Cl)c2C)c1-c1ccccc1 ZINC000021914807 570758717 /nfs/dbraw/zinc/75/87/17/570758717.db2.gz CHXUSUGIZCGOJC-UHFFFAOYSA-N 0 0 390.874 5.227 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)cc3C)c2C)c1-c1ccc(F)cc1 ZINC000021914154 570758741 /nfs/dbraw/zinc/75/87/41/570758741.db2.gz SXCCZRZOXPFLNK-UHFFFAOYSA-N 0 0 388.446 5.021 50 0 GKAARN O=C(Nc1cc(Cl)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000096558654 570759143 /nfs/dbraw/zinc/75/91/43/570759143.db2.gz UMWVCPGWHDNZSC-UHFFFAOYSA-N 0 0 383.584 6.310 50 0 GKAARN CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(/C=C\c3ccccc3)cc2)C1 ZINC000211074001 570759224 /nfs/dbraw/zinc/75/92/24/570759224.db2.gz VQCNGDSLHBXRBA-GJCOWUBNSA-N 0 0 379.500 5.635 50 0 GKAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616626 570762941 /nfs/dbraw/zinc/76/29/41/570762941.db2.gz ACNOLDSTSIOOBL-PXNSSMCTSA-N 0 0 384.863 5.783 50 0 GKAARN CCCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000013618137 570763438 /nfs/dbraw/zinc/76/34/38/570763438.db2.gz GASFKQFJRHFSKV-HSZRJFAPSA-N 0 0 397.522 5.746 50 0 GKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253537557 570763710 /nfs/dbraw/zinc/76/37/10/570763710.db2.gz PESKGJQREUXSRR-MLDAVSLKSA-N 0 0 386.664 7.677 50 0 GKAARN Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2[C@@H](C)CCCC(C)(C)O)n1 ZINC000065387346 570763952 /nfs/dbraw/zinc/76/39/52/570763952.db2.gz FQJFVOQREZHDRJ-IBGZPJMESA-N 0 0 394.563 5.108 50 0 GKAARN O=C(CCC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1)c1ccccc1 ZINC000206990536 570764016 /nfs/dbraw/zinc/76/40/16/570764016.db2.gz ZOJDFMUYQAVPKE-HXUWFJFHSA-N 0 0 387.932 5.010 50 0 GKAARN Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000036620387 570764155 /nfs/dbraw/zinc/76/41/55/570764155.db2.gz CRXYRLSOFLZTCZ-HSZRJFAPSA-N 0 0 383.557 5.569 50 0 GKAARN CCc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2c2nc(C)cs2)cc1 ZINC000013630050 570764284 /nfs/dbraw/zinc/76/42/84/570764284.db2.gz JYKXUPMXBFFOAS-OAQYLSRUSA-N 0 0 377.513 5.378 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000036619871 570764329 /nfs/dbraw/zinc/76/43/29/570764329.db2.gz AYHMFPGQIPPEGZ-LBPRGKRZSA-N 0 0 386.567 5.711 50 0 GKAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036620339 570764368 /nfs/dbraw/zinc/76/43/68/570764368.db2.gz PWCQHCGRPRYEKX-FQEVSTJZSA-N 0 0 377.937 5.064 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036620735 570765339 /nfs/dbraw/zinc/76/53/39/570765339.db2.gz JKTOCVUIWORXPB-IBGZPJMESA-N 0 0 377.937 5.163 50 0 GKAARN O=C(c1ccccc1OC(F)F)N1CCc2sccc2[C@H]1c1cccs1 ZINC000036626656 570765499 /nfs/dbraw/zinc/76/54/99/570765499.db2.gz QHLWQDDOTJKOLS-KRWDZBQOSA-N 0 0 391.464 5.199 50 0 GKAARN COc1ccccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCC1 ZINC000032721984 570768226 /nfs/dbraw/zinc/76/82/26/570768226.db2.gz LKOUYNLJWSELCC-UHFFFAOYSA-N 0 0 380.513 5.437 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCS[C@H](c2ccco2)CC1 ZINC000207008137 570770837 /nfs/dbraw/zinc/77/08/37/570770837.db2.gz HZVDPMBHZNBKEP-QHCPKHFHSA-N 0 0 391.536 5.508 50 0 GKAARN c1nc(-c2ccccc2)c(-c2ccc(-c3cncnc3)cc2)n1Cc1cccnc1 ZINC000065530098 570772304 /nfs/dbraw/zinc/77/23/04/570772304.db2.gz HQPXKDLSCCGDKX-UHFFFAOYSA-N 0 0 389.462 5.117 50 0 GKAARN CCc1ncc(-c2c(-c3ccccc3)ncn2[C@H](C)CCCC(C)(C)O)cn1 ZINC000065535346 570772786 /nfs/dbraw/zinc/77/27/86/570772786.db2.gz VPCWJAJWFSASNH-QGZVFWFLSA-N 0 0 378.520 5.072 50 0 GKAARN CCc1ncc(-c2c(-c3ccccc3)ncn2[C@@H](C)CCCC(C)(C)O)cn1 ZINC000065535343 570773075 /nfs/dbraw/zinc/77/30/75/570773075.db2.gz VPCWJAJWFSASNH-KRWDZBQOSA-N 0 0 378.520 5.072 50 0 GKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)cc1 ZINC000013689679 570775236 /nfs/dbraw/zinc/77/52/36/570775236.db2.gz VIOZDQABCUBGOT-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cn1c2c(cc(Cl)cc2Cl)s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000100823867 570775288 /nfs/dbraw/zinc/77/52/88/570775288.db2.gz HNJBJJSSEZSXET-LGMDPLHJSA-N 0 0 377.705 5.003 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000004644432 570776158 /nfs/dbraw/zinc/77/61/58/570776158.db2.gz HHGFCANVVDWENE-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c(C)c1 ZINC000007061291 570776863 /nfs/dbraw/zinc/77/68/63/570776863.db2.gz CUWWMRKOZYCYII-UHFFFAOYSA-N 0 0 389.282 5.484 50 0 GKAARN Cc1nn2c(nc(Sc3nnc(-c4cccs4)o3)c3ccccc32)c1Cl ZINC000022015539 570777361 /nfs/dbraw/zinc/77/73/61/570777361.db2.gz GDVQAPJKCGBDND-UHFFFAOYSA-N 0 0 399.888 5.107 50 0 GKAARN O=C1CS[C@H](c2ccccc2Br)N1c1ccc(F)cc1Cl ZINC000002949798 570778527 /nfs/dbraw/zinc/77/85/27/570778527.db2.gz BJLVAOCJPJEAGC-OAHLLOKOSA-N 0 0 386.673 5.020 50 0 GKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCCC2)cc1C ZINC000013714495 570778816 /nfs/dbraw/zinc/77/88/16/570778816.db2.gz OTWZVWNCPOHWAH-UHFFFAOYSA-N 0 0 388.511 5.258 50 0 GKAARN COc1cc2nc(SCC(C)C)n(C3CCCCCC3)c(=N)c2cc1OC ZINC000100911316 570779896 /nfs/dbraw/zinc/77/98/96/570779896.db2.gz MCTSQNAVHYYDSQ-UHFFFAOYSA-N 0 0 389.565 5.176 50 0 GKAARN Cc1c2cc(NC(=O)c3ccc(Cl)nc3)ccc2oc1C(=O)c1ccccc1 ZINC000013721553 570780592 /nfs/dbraw/zinc/78/05/92/570780592.db2.gz KJPLHPNAQSUSMT-UHFFFAOYSA-N 0 0 390.826 5.273 50 0 GKAARN Cc1cc(F)ccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000011214272 570780941 /nfs/dbraw/zinc/78/09/41/570780941.db2.gz BFZYAJZRMYUMNJ-UHFFFAOYSA-N 0 0 394.475 5.441 50 0 GKAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000007061590 570781879 /nfs/dbraw/zinc/78/18/79/570781879.db2.gz CRMONNUHAQZGDA-UHFFFAOYSA-N 0 0 392.311 5.218 50 0 GKAARN Cc1ccc(C)c(Sc2ncccc2C(=O)NCCSCc2ccco2)c1 ZINC000007064396 570782274 /nfs/dbraw/zinc/78/22/74/570782274.db2.gz OTGIOQAIQMUYJF-UHFFFAOYSA-N 0 0 398.553 5.106 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccccc1Cl ZINC000036648600 570782814 /nfs/dbraw/zinc/78/28/14/570782814.db2.gz LXCBUVSPYZEMHL-UHFFFAOYSA-N 0 0 397.812 6.004 50 0 GKAARN CC[C@H](NC(=O)c1cc2ccccc2cc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000004451321 570783533 /nfs/dbraw/zinc/78/35/33/570783533.db2.gz NYJZQZCOMQKJSQ-QSHMCURRSA-N 0 0 377.528 5.573 50 0 GKAARN O=c1ccccc2c(/C=C/c3ccc(Cl)cc3Cl)nn(-c3ccccc3)c21 ZINC000007089649 570784544 /nfs/dbraw/zinc/78/45/44/570784544.db2.gz ZHTBDKIXUCUANE-ACCUITESSA-N 0 0 393.273 5.863 50 0 GKAARN O=C(c1csc(-c2ccccc2)n1)N1CCS[C@H](c2cccs2)CC1 ZINC000219460707 570784583 /nfs/dbraw/zinc/78/45/83/570784583.db2.gz LSVVSOPBQSUQNG-KRWDZBQOSA-N 0 0 386.567 5.192 50 0 GKAARN Cc1ccccc1C1(O)CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000170002053 570784874 /nfs/dbraw/zinc/78/48/74/570784874.db2.gz HYJOQHPUTWWZOY-UHFFFAOYSA-N 0 0 386.495 5.178 50 0 GKAARN CC(=O)C(C(C)=O)C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000007078420 570785325 /nfs/dbraw/zinc/78/53/25/570785325.db2.gz LCAUALMMUGNTGM-UHFFFAOYSA-N 0 0 378.556 6.208 50 0 GKAARN COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3nc4ccccc4s3)ccc2c1 ZINC000032740989 570786581 /nfs/dbraw/zinc/78/65/81/570786581.db2.gz SPPYDUCVSNNHKS-OAHLLOKOSA-N 0 0 390.508 5.220 50 0 GKAARN O=C(c1ccc(Cl)cc1)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 ZINC000013778906 570789901 /nfs/dbraw/zinc/78/99/01/570789901.db2.gz RPQIDVXUQKYEQG-UHFFFAOYSA-N 0 0 388.854 5.029 50 0 GKAARN CCOC1=C([C@H](c2ccccc2)c2ccc(OC)cc2)c2cccc3cccc1c23 ZINC000007101857 570790263 /nfs/dbraw/zinc/79/02/63/570790263.db2.gz SKVRMUVBSCRCHE-RUZDIDTESA-N 0 0 392.498 6.899 50 0 GKAARN Clc1cccc(Cl)c1NCc1nc2ccccc2n1Cc1ccccc1 ZINC000013810341 570791395 /nfs/dbraw/zinc/79/13/95/570791395.db2.gz ITNLLXSAFHLXNI-UHFFFAOYSA-N 0 0 382.294 6.004 50 0 GKAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN(CC)Cc1cccs1 ZINC000032751490 570791695 /nfs/dbraw/zinc/79/16/95/570791695.db2.gz HGRMRELFTYDXIL-UHFFFAOYSA-N 0 0 398.572 5.197 50 0 GKAARN CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2cc(F)c(C)cc2Cl)cc1 ZINC000534671698 570793369 /nfs/dbraw/zinc/79/33/69/570793369.db2.gz IJAQNNUOUXOODH-KRWDZBQOSA-N 0 0 375.871 5.096 50 0 GKAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2ccc(C)c(C)n2)cc1 ZINC000534654447 570793442 /nfs/dbraw/zinc/79/34/42/570793442.db2.gz LKGWCYQKGGSCKD-DEOSSOPVSA-N 0 0 387.527 5.764 50 0 GKAARN CCCC[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1Cl)c1cccnc1 ZINC000534643531 570793564 /nfs/dbraw/zinc/79/35/64/570793564.db2.gz LXAGWIWNKQATNR-GOSISDBHSA-N 0 0 380.319 5.461 50 0 GKAARN CCCc1nc(CNC(=O)N2CCCCC[C@H]2c2cccc(F)c2)cs1 ZINC000534637912 570793603 /nfs/dbraw/zinc/79/36/03/570793603.db2.gz VUWWQIPPXQJRHH-SFHVURJKSA-N 0 0 375.513 5.062 50 0 GKAARN CSc1ncc(Cl)c(C(=O)Nc2ccccc2Oc2cccc(C)c2)n1 ZINC000025599592 570793938 /nfs/dbraw/zinc/79/39/38/570793938.db2.gz MYMYJQHBBFGROZ-UHFFFAOYSA-N 0 0 385.876 5.205 50 0 GKAARN COc1ccc([C@H]2CCCN2Cc2csc(-c3ccsc3)n2)c(OC)c1 ZINC000032759690 570795123 /nfs/dbraw/zinc/79/51/23/570795123.db2.gz NPDQYQUDFXZRGK-GOSISDBHSA-N 0 0 386.542 5.226 50 0 GKAARN CC(C)c1ccc(/C=C\C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000005825666 570795275 /nfs/dbraw/zinc/79/52/75/570795275.db2.gz FAASEKVLJHQIDY-SDXDJHTJSA-N 0 0 383.535 6.162 50 0 GKAARN Cc1nc(Cc2nnc(SCc3ccc(-c4ccccc4)cc3)o2)cs1 ZINC000005835065 570796386 /nfs/dbraw/zinc/79/63/86/570796386.db2.gz KZNFJDBYJVSUPM-UHFFFAOYSA-N 0 0 379.510 5.385 50 0 GKAARN CCN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1C ZINC000032753823 570796537 /nfs/dbraw/zinc/79/65/37/570796537.db2.gz ACUXZVAZJWAKPQ-UHFFFAOYSA-N 0 0 383.451 5.379 50 0 GKAARN COc1ccc(-c2c/c(=N\Cc3ccco3)c3cc(C)ccc3o2)cc1OC ZINC000018037506 570796576 /nfs/dbraw/zinc/79/65/76/570796576.db2.gz NKXRIOFDDDCFTA-LYBHJNIJSA-N 0 0 375.424 5.119 50 0 GKAARN CCCCCOc1ccc(/C=C\C(=O)Nc2nc3ccccc3s2)cc1OC ZINC000005846362 570796989 /nfs/dbraw/zinc/79/69/89/570796989.db2.gz ZGAMRJQICNOAGB-QBFSEMIESA-N 0 0 396.512 5.526 50 0 GKAARN c1coc(-c2noc(CSc3ncnc4sc(-c5ccccc5)cc43)n2)c1 ZINC000032754509 570797320 /nfs/dbraw/zinc/79/73/20/570797320.db2.gz KYFLIWAVKOOTKB-UHFFFAOYSA-N 0 0 392.465 5.294 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000065320560 570797883 /nfs/dbraw/zinc/79/78/83/570797883.db2.gz OVDIHSNWWBUMLO-QGZVFWFLSA-N 0 0 382.851 5.067 50 0 GKAARN CCCCCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1 ZINC000005865395 570798343 /nfs/dbraw/zinc/79/83/43/570798343.db2.gz IWSYKMUPXXXUKF-FZKQIMNGSA-N 0 0 391.512 5.034 50 0 GKAARN COc1cccc(/N=c2\ssc3c2-c2ccc(OC)cc2NC3(C)C)c1 ZINC000018067501 570798727 /nfs/dbraw/zinc/79/87/27/570798727.db2.gz SUOZTDUHFMGIND-VZCXRCSSSA-N 0 0 384.526 5.387 50 0 GKAARN CCCCc1ccc(NC2=NC(=O)[C@H](Cc3ccc(C)c(Cl)c3)S2)cc1 ZINC000005869439 570799383 /nfs/dbraw/zinc/79/93/83/570799383.db2.gz UDPTUDAZMRNMMR-IBGZPJMESA-N 0 0 386.948 5.644 50 0 GKAARN CCc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 ZINC000005674321 570799663 /nfs/dbraw/zinc/79/96/63/570799663.db2.gz RJGNRAHOKKXDMC-UHFFFAOYSA-N 0 0 388.536 5.560 50 0 GKAARN COc1cc(C(C)(C)C)c(OCC(=O)OC2CCCCC2)cc1C(C)(C)C ZINC000013897345 570799905 /nfs/dbraw/zinc/79/99/05/570799905.db2.gz CBJNZRDZUJWBHK-UHFFFAOYSA-N 0 0 376.537 5.545 50 0 GKAARN CN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)sc1Cl ZINC000018107914 570799959 /nfs/dbraw/zinc/79/99/59/570799959.db2.gz IGZZBEHLLHRPDU-UHFFFAOYSA-N 0 0 385.135 5.151 50 0 GKAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000004487756 570800354 /nfs/dbraw/zinc/80/03/54/570800354.db2.gz IKICADYQKYTSEO-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN COc1ccc2cc3cc(C(=O)N4CCc5ccccc54)sc3nc2c1Cl ZINC000065330807 570801360 /nfs/dbraw/zinc/80/13/60/570801360.db2.gz NRXIKLWGZHCRMP-UHFFFAOYSA-N 0 0 394.883 5.314 50 0 GKAARN CSc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1 ZINC000065331349 570801736 /nfs/dbraw/zinc/80/17/36/570801736.db2.gz KQOOLTOMDBGRKL-OAHLLOKOSA-N 0 0 383.904 5.030 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2cccc(C)c2)o1 ZINC000005902913 570802578 /nfs/dbraw/zinc/80/25/78/570802578.db2.gz IGCCGBVJKDUGQX-AWEZNQCLSA-N 0 0 377.469 5.198 50 0 GKAARN CCc1cccc2c(C(=O)CSc3nnc(-c4cccc(C)c4)o3)c[nH]c21 ZINC000005901732 570802642 /nfs/dbraw/zinc/80/26/42/570802642.db2.gz ZJVWLWQIDDZPAE-UHFFFAOYSA-N 0 0 377.469 5.064 50 0 GKAARN CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c21 ZINC000005906037 570802926 /nfs/dbraw/zinc/80/29/26/570802926.db2.gz ITRRUKUCPMMBIK-SLEBQGDGSA-N 0 0 399.490 6.362 50 0 biogenic GKAARN Cc1cccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)c1C ZINC000033072390 570803716 /nfs/dbraw/zinc/80/37/16/570803716.db2.gz FUKLHQWNKBCXFG-UHFFFAOYSA-N 0 0 378.520 5.056 50 0 GKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000005921748 570803906 /nfs/dbraw/zinc/80/39/06/570803906.db2.gz CMNZJBNTKAPUJG-UHFFFAOYSA-N 0 0 395.484 5.633 50 0 GKAARN C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=Nc1ccccc1 ZINC000004481837 570803959 /nfs/dbraw/zinc/80/39/59/570803959.db2.gz SFDHKRYXZNIMQG-BEOJHSSFSA-N 0 0 399.313 5.239 50 0 GKAARN O=C(OCCCC(=O)c1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000007141109 570803970 /nfs/dbraw/zinc/80/39/70/570803970.db2.gz ZUXQCFVBUFLECR-UHFFFAOYSA-N 0 0 376.836 5.514 50 0 GKAARN CCc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000033072523 570804117 /nfs/dbraw/zinc/80/41/17/570804117.db2.gz YLYLFWQAIMPUNR-UHFFFAOYSA-N 0 0 398.510 5.003 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073275 570804514 /nfs/dbraw/zinc/80/45/14/570804514.db2.gz QKEIJALIJNOVGR-UHFFFAOYSA-N 0 0 379.891 5.439 50 0 GKAARN Cc1nc(SCC(=O)Nc2cccc3ccccc32)n(C2CCCC2)c1C ZINC000007139954 570804790 /nfs/dbraw/zinc/80/47/90/570804790.db2.gz AWXLAFUYJYOKHE-UHFFFAOYSA-N 0 0 379.529 5.499 50 0 GKAARN Fc1ccc(-c2cnnn2-c2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 ZINC000005936520 570805260 /nfs/dbraw/zinc/80/52/60/570805260.db2.gz IQYLNTHDXJDDSR-UHFFFAOYSA-N 0 0 398.466 5.864 50 0 GKAARN O=C(N1CCS[C@H](c2cccs2)CC1)C1(c2cccs2)CCCC1 ZINC000219502396 570806141 /nfs/dbraw/zinc/80/61/41/570806141.db2.gz BIKCCPGHBRGZPW-INIZCTEOSA-N 0 0 377.600 5.328 50 0 GKAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(C2SCCS2)cc1 ZINC000005937975 570806476 /nfs/dbraw/zinc/80/64/76/570806476.db2.gz SZHNKNJVVIBCGA-UHFFFAOYSA-N 0 0 391.561 6.008 50 0 GKAARN CCc1ccc2nc(NC(=O)c3ccc(C4SCCS4)cc3)sc2c1 ZINC000005937972 570806525 /nfs/dbraw/zinc/80/65/25/570806525.db2.gz CNQZXOCRQIWGCX-UHFFFAOYSA-N 0 0 386.567 5.590 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2Cl)cc1 ZINC000033084433 570807185 /nfs/dbraw/zinc/80/71/85/570807185.db2.gz WATMHAPZLSLTTE-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=S)Nc2sc3c(c2C(=O)OC)CCC3)cc1 ZINC000005949806 570807292 /nfs/dbraw/zinc/80/72/92/570807292.db2.gz OGXMCAAAWQRISR-GFCCVEGCSA-N 0 0 388.558 5.346 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000005942867 570807435 /nfs/dbraw/zinc/80/74/35/570807435.db2.gz VLDAJECZPGRWDS-UHFFFAOYSA-N 0 0 398.487 6.579 50 0 GKAARN FC(F)(F)c1ccccc1-c1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1 ZINC000005948205 570807698 /nfs/dbraw/zinc/80/76/98/570807698.db2.gz UVNZILQHBLLIMK-UHFFFAOYSA-N 0 0 398.409 6.250 50 0 GKAARN Clc1cc(Cl)cc(OCc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000005949213 570807854 /nfs/dbraw/zinc/80/78/54/570807854.db2.gz APYZIXAVUYIVIP-UHFFFAOYSA-N 0 0 386.303 6.849 50 0 GKAARN Cc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)n(-c2ccc(C)cc2)n1 ZINC000018195172 570808521 /nfs/dbraw/zinc/80/85/21/570808521.db2.gz MNMWCHPWDJBDQE-UHFFFAOYSA-N 0 0 383.451 5.534 50 0 GKAARN c1csc(-c2cnnn2-c2ccc(-c3csc(-c4ccccc4)n3)cc2)c1 ZINC000005958739 570808659 /nfs/dbraw/zinc/80/86/59/570808659.db2.gz ILRLKOORRDWDSD-UHFFFAOYSA-N 0 0 386.505 5.786 50 0 GKAARN Cn1nc(C2CC2)c2c1nc(-c1ccc(OC(F)F)cc1)cc2C(F)(F)F ZINC000013961013 570808710 /nfs/dbraw/zinc/80/87/10/570808710.db2.gz OCLWIHBIFDAEIR-UHFFFAOYSA-N 0 0 383.320 5.133 50 0 GKAARN Fc1ccc(/C=C/c2cc(-c3ccc(F)cc3)nc3cc4c(cc23)OCO4)cc1 ZINC000018197264 570809040 /nfs/dbraw/zinc/80/90/40/570809040.db2.gz DRSYFCFRMSVQLG-DAFODLJHSA-N 0 0 387.385 6.079 50 0 GKAARN CCCCN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000004658118 570809141 /nfs/dbraw/zinc/80/91/41/570809141.db2.gz OESRMHVYFPOZFV-UHFFFAOYSA-N 0 0 390.918 5.977 50 0 GKAARN Cc1cc2c(cc(C(=O)N3CCc4ccccc4C3)n2Cc2ccc(C)cc2)o1 ZINC000004490735 570809588 /nfs/dbraw/zinc/80/95/88/570809588.db2.gz HGXFJNYMDVWBJC-UHFFFAOYSA-N 0 0 384.479 5.098 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1cc(Cl)cc(Cl)c1 ZINC000004659473 570809798 /nfs/dbraw/zinc/80/97/98/570809798.db2.gz IUPOJNXTPHCXEV-ZHACJKMWSA-N 0 0 393.273 5.863 50 0 GKAARN O=C(CSc1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000032787811 570809885 /nfs/dbraw/zinc/80/98/85/570809885.db2.gz HLZUAZQIFVGUPF-OAQYLSRUSA-N 0 0 383.513 5.154 50 0 GKAARN CCc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000101093550 570809986 /nfs/dbraw/zinc/80/99/86/570809986.db2.gz OTTQYJKUCAPIHH-UHFFFAOYSA-N 0 0 391.471 5.354 50 0 GKAARN CCc1cccc2c(C(c3c[nH]c4c3cccc4CC)c3ccc(C)cc3)c[nH]c21 ZINC000004660215 570810063 /nfs/dbraw/zinc/81/00/63/570810063.db2.gz UTZZQKZLXFATCX-UHFFFAOYSA-N 0 0 392.546 7.263 50 0 GKAARN Cc1cc(Cl)ccc1-n1c(=O)c2ccccc2nc1/C=C/c1cccc(F)c1 ZINC000004659633 570810100 /nfs/dbraw/zinc/81/01/00/570810100.db2.gz NNPHVMZQLMXDMD-FMIVXFBMSA-N 0 0 390.845 5.657 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccccc1F ZINC000004659627 570810120 /nfs/dbraw/zinc/81/01/20/570810120.db2.gz KPIGYLMQJSZBJK-WUKNDPDISA-N 0 0 392.433 5.848 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccc(F)c(Cl)c1 ZINC000004659513 570810152 /nfs/dbraw/zinc/81/01/52/570810152.db2.gz XVEOFWNAPSMVOY-KPKJPENVSA-N 0 0 394.808 5.488 50 0 GKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C)c(Br)c1 ZINC000001775424 570810199 /nfs/dbraw/zinc/81/01/99/570810199.db2.gz SCZSAYAIUXTETE-UHFFFAOYSA-N 0 0 399.288 5.534 50 0 GKAARN Cc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCOCC2)cc1 ZINC000005968811 570810225 /nfs/dbraw/zinc/81/02/25/570810225.db2.gz VXQJKUKFFIBNMK-RUZDIDTESA-N 0 0 398.506 5.276 50 0 GKAARN O=C(COc1ccc(F)cc1)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1 ZINC000033106107 570810537 /nfs/dbraw/zinc/81/05/37/570810537.db2.gz NWXVMSWNEKRAQK-UHFFFAOYSA-N 0 0 378.378 5.131 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1 ZINC000033106131 570810593 /nfs/dbraw/zinc/81/05/93/570810593.db2.gz KVMRAMNWXQMUGE-UHFFFAOYSA-N 0 0 380.444 5.083 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCC2 ZINC000004660976 570810672 /nfs/dbraw/zinc/81/06/72/570810672.db2.gz FCONUECYOAQZRJ-UHFFFAOYSA-N 0 0 398.311 5.363 50 0 GKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000004661059 570810705 /nfs/dbraw/zinc/81/07/05/570810705.db2.gz BEZAKURSXPVWON-IRLDBZIGSA-N 0 0 378.834 5.721 50 0 GKAARN CCOC(=O)c1c(NC(=S)N2CCC[C@H](C)C2)sc2c1CCCCCC2 ZINC000005979967 570811050 /nfs/dbraw/zinc/81/10/50/570811050.db2.gz CWPSWBXERZHVIN-AWEZNQCLSA-N 0 0 394.606 5.013 50 0 GKAARN CC(C)c1ccc(O[P@](=O)(N=c2cccc[nH]2)Oc2ccccc2F)cc1 ZINC000005690152 570811411 /nfs/dbraw/zinc/81/14/11/570811411.db2.gz JDWPDKUFCFECHA-HHHXNRCGSA-N 0 0 386.363 6.022 50 0 GKAARN O=C(CSCc1csc(-c2ccccc2Cl)n1)NCc1cccs1 ZINC000032778873 570812104 /nfs/dbraw/zinc/81/21/04/570812104.db2.gz YQNAKVGHWKGTTC-UHFFFAOYSA-N 0 0 394.974 5.075 50 0 GKAARN Cc1cccc(OCCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000005990038 570812311 /nfs/dbraw/zinc/81/23/11/570812311.db2.gz OZLKLDOLJXKQLF-UHFFFAOYSA-N 0 0 399.519 5.685 50 0 GKAARN COc1ccc(CCC(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113728 570812292 /nfs/dbraw/zinc/81/22/92/570812292.db2.gz MBVAOZVIIRDPEY-UHFFFAOYSA-N 0 0 396.490 5.790 50 0 GKAARN COc1ccc(CC(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113727 570812392 /nfs/dbraw/zinc/81/23/92/570812392.db2.gz MHJFVSCXQBIPSW-UHFFFAOYSA-N 0 0 382.463 5.400 50 0 GKAARN CCOC(=O)c1c2ccc(C)c(OCc3cccc(C)c3)c2sc1NC(C)=O ZINC000033113600 570812414 /nfs/dbraw/zinc/81/24/14/570812414.db2.gz UFHZZTVOAQUFQI-UHFFFAOYSA-N 0 0 397.496 5.232 50 0 GKAARN CC(C)CCn1c(=O)c2c(nc1SCC(C)C)c(-c1ccccc1)cn2C ZINC000033114601 570812736 /nfs/dbraw/zinc/81/27/36/570812736.db2.gz GXPHWLSLOOFUPE-UHFFFAOYSA-N 0 0 383.561 5.196 50 0 GKAARN CCCN(CCC)c1ccc(C(=O)OC)cc1NC(=S)Nc1ccccc1C ZINC000004669072 570813096 /nfs/dbraw/zinc/81/30/96/570813096.db2.gz CUWUJODKOFXJRB-UHFFFAOYSA-N 0 0 399.560 5.217 50 0 GKAARN Cc1occc1-c1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)o1 ZINC000007193827 570813172 /nfs/dbraw/zinc/81/31/72/570813172.db2.gz DHPBIKMHJUHOHY-IBGZPJMESA-N 0 0 376.437 5.354 50 0 GKAARN Cc1ccc(-c2cc(COC(=O)C3c4ccccc4Oc4ccccc43)no2)cc1 ZINC000012725592 570813192 /nfs/dbraw/zinc/81/31/92/570813192.db2.gz VQCWGCDYQXLSKL-UHFFFAOYSA-N 0 0 397.430 5.631 50 0 GKAARN Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)o1 ZINC000007194024 570813793 /nfs/dbraw/zinc/81/37/93/570813793.db2.gz PQJCJVBJRZBWAH-UHFFFAOYSA-N 0 0 397.500 5.096 50 0 GKAARN COc1ccc(/C=C\C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000006009267 570814054 /nfs/dbraw/zinc/81/40/54/570814054.db2.gz SCWNYPZKJNTNLL-SQFISAMPSA-N 0 0 375.424 5.148 50 0 GKAARN O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)Nc1ccccn1 ZINC000033116299 570814081 /nfs/dbraw/zinc/81/40/81/570814081.db2.gz VOMKZKFCQYUHKT-UHFFFAOYSA-N 0 0 377.444 5.034 50 0 GKAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(CSCc3cccc(F)c3)o2)[C@@H]1C ZINC000004668360 570814926 /nfs/dbraw/zinc/81/49/26/570814926.db2.gz SHJNQEBVKTYVDB-SPYBWZPUSA-N 0 0 375.509 5.407 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)Cn2c3ccccc3nc2-c2cscn2)cc1 ZINC000006024700 570815008 /nfs/dbraw/zinc/81/50/08/570815008.db2.gz RJEDBVCQKWMLQS-HNNXBMFYSA-N 0 0 390.512 5.312 50 0 GKAARN Cc1ccc(-c2nc(SCc3ncc(-c4ccc(Cl)cc4)o3)n[nH]2)cc1 ZINC000007209296 570815038 /nfs/dbraw/zinc/81/50/38/570815038.db2.gz VBUKZVLUHHRBQH-UHFFFAOYSA-N 0 0 382.876 5.381 50 0 GKAARN CCCOc1c2cc(NC(=O)c3ccc(C)cc3)ccc2sc1C(=O)OC ZINC000033123465 570815518 /nfs/dbraw/zinc/81/55/18/570815518.db2.gz AHZMUYNKIXLJGF-UHFFFAOYSA-N 0 0 383.469 5.037 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c(Cl)c1 ZINC000033123926 570815557 /nfs/dbraw/zinc/81/55/57/570815557.db2.gz MVZDXDKCFQIBFP-UHFFFAOYSA-N 0 0 393.849 6.580 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033123758 570815590 /nfs/dbraw/zinc/81/55/90/570815590.db2.gz DLXZFHQVCJKCQJ-UHFFFAOYSA-N 0 0 391.858 6.141 50 0 GKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)Nc1cccc(Cl)c1 ZINC000033123910 570815664 /nfs/dbraw/zinc/81/56/64/570815664.db2.gz IVFXNKFOXKZHAI-UHFFFAOYSA-N 0 0 379.822 6.271 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1cccc(Cl)c1 ZINC000033124066 570815953 /nfs/dbraw/zinc/81/59/53/570815953.db2.gz UBGYXNDSTQQOGH-UHFFFAOYSA-N 0 0 379.872 6.261 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c(C)c1 ZINC000033124189 570816014 /nfs/dbraw/zinc/81/60/14/570816014.db2.gz BENZDBOYBXRKOP-UHFFFAOYSA-N 0 0 387.508 6.533 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(F)c1 ZINC000033124205 570816042 /nfs/dbraw/zinc/81/60/42/570816042.db2.gz IJURKSPOZLHPRR-UHFFFAOYSA-N 0 0 377.444 6.055 50 0 GKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C)cc1 ZINC000004670453 570816913 /nfs/dbraw/zinc/81/69/13/570816913.db2.gz MGMUBLFCUMMVOD-LCUIJRPUSA-N 0 0 384.435 5.235 50 0 GKAARN CCc1sc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1C ZINC000036811903 570816951 /nfs/dbraw/zinc/81/69/51/570816951.db2.gz PLMZHWRRZXLZQH-CQSZACIVSA-N 0 0 386.542 5.054 50 0 GKAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004503106 570817316 /nfs/dbraw/zinc/81/73/16/570817316.db2.gz LMLCJYUULMQNBT-ACCUITESSA-N 0 0 381.815 5.039 50 0 GKAARN CN(C)c1cccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000005699416 570817442 /nfs/dbraw/zinc/81/74/42/570817442.db2.gz FSMACIBIYVXLNB-DEOSSOPVSA-N 0 0 398.462 5.015 50 0 GKAARN COc1cccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c1 ZINC000101214745 570817803 /nfs/dbraw/zinc/81/78/03/570817803.db2.gz PMCILHKRTACCAZ-HSZRJFAPSA-N 0 0 380.451 5.010 50 0 GKAARN Fc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3c4ccccc4nc3N2)cc1 ZINC000101221702 570817964 /nfs/dbraw/zinc/81/79/64/570817964.db2.gz FRISTXGCCPNUIS-PZJWPPBQSA-N 0 0 377.850 5.975 50 0 GKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1OC(F)F ZINC000036821162 570818083 /nfs/dbraw/zinc/81/80/83/570818083.db2.gz CVMQXUCRYTWMIG-UHFFFAOYSA-N 0 0 399.462 5.749 50 0 GKAARN c1ccc(-c2ccccc2OCCCOc2ccccc2-c2ccccc2)cc1 ZINC000005699921 570818193 /nfs/dbraw/zinc/81/81/93/570818193.db2.gz GYELLLUCPNGMNK-UHFFFAOYSA-N 0 0 380.487 6.869 50 0 GKAARN Cc1ccc(-c2nnc(Oc3ccc(Cl)cc3Cl)c3ccccc32)cc1 ZINC000001811732 570818219 /nfs/dbraw/zinc/81/82/19/570818219.db2.gz LNYOQVUWLDRFFF-UHFFFAOYSA-N 0 0 381.262 6.704 50 0 GKAARN COc1ccc(-c2c/c(=N\c3c(C)cc(C)cc3C)c3cc(C)ccc3o2)cc1 ZINC000101268588 570818649 /nfs/dbraw/zinc/81/86/49/570818649.db2.gz RDVGQAUAVNGJKW-SLEBQGDGSA-N 0 0 383.491 6.574 50 0 GKAARN Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)NC4CCCC4)c23)cc1 ZINC000007234116 570818871 /nfs/dbraw/zinc/81/88/71/570818871.db2.gz VLNBZSDBRDMQTP-CQSZACIVSA-N 0 0 397.569 5.206 50 0 GKAARN CCOc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1OC ZINC000013073426 570819783 /nfs/dbraw/zinc/81/97/83/570819783.db2.gz OBQFNYHQRRCTGL-UKTHLTGXSA-N 0 0 383.488 5.052 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)oc2c(C)c1 ZINC000004673188 570819976 /nfs/dbraw/zinc/81/99/76/570819976.db2.gz RRGMSOZPQJIUOP-UHFFFAOYSA-N 0 0 398.506 6.661 50 0 GKAARN CCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C ZINC000004672154 570820307 /nfs/dbraw/zinc/82/03/07/570820307.db2.gz SCWXLPDMHIPAAL-MBSDFSHPSA-N 0 0 378.516 5.486 50 0 GKAARN O=C(NCCC1=CCCCC1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130418 570820921 /nfs/dbraw/zinc/82/09/21/570820921.db2.gz NPLJTFMCCYGMMP-UHFFFAOYSA-N 0 0 399.494 5.556 50 0 GKAARN Cc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(C)cc2)cc1 ZINC000012476292 570820944 /nfs/dbraw/zinc/82/09/44/570820944.db2.gz DDOAPVLJUQBFRW-UHFFFAOYSA-N 0 0 390.284 5.738 50 0 GKAARN Cc1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2cccnc2)c(C)c1 ZINC000033130742 570821155 /nfs/dbraw/zinc/82/11/55/570821155.db2.gz TUQHOLLUUNJQAK-UHFFFAOYSA-N 0 0 390.874 6.144 50 0 GKAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccccc4)c3)n2)c1 ZINC000033130568 570821204 /nfs/dbraw/zinc/82/12/04/570821204.db2.gz FKEWXLBPYPKHQN-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1ccccc1CNC(=O)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130452 570821236 /nfs/dbraw/zinc/82/12/36/570821236.db2.gz PRZZXLVXYSLSEL-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN Cc1ccc(NC(=O)Nc2c3cc(Cl)ccc3[nH]c2-c2ccncc2)cc1F ZINC000033130788 570821625 /nfs/dbraw/zinc/82/16/25/570821625.db2.gz LXMNGASXPAPYOK-UHFFFAOYSA-N 0 0 394.837 5.975 50 0 GKAARN COc1ccc(NC(=O)Nc2c3cccc(Cl)c3[nH]c2-c2ccncc2)cc1 ZINC000033130820 570821672 /nfs/dbraw/zinc/82/16/72/570821672.db2.gz QSFZBTGTIRIOPC-UHFFFAOYSA-N 0 0 392.846 5.536 50 0 GKAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000007264998 570821929 /nfs/dbraw/zinc/82/19/29/570821929.db2.gz ZGCUBPZGLLMXEU-SNVBAGLBSA-N 0 0 380.441 5.017 50 0 GKAARN CSc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000101429182 570821862 /nfs/dbraw/zinc/82/18/62/570821862.db2.gz BWNOVAFNPFVNDE-HSZRJFAPSA-N 0 0 387.529 6.659 50 0 GKAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)Nc3ccccc3)c2)nn1 ZINC000033131022 570821936 /nfs/dbraw/zinc/82/19/36/570821936.db2.gz AYFPCZALFVEGGP-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3Cl)C12 ZINC000101424716 570821938 /nfs/dbraw/zinc/82/19/38/570821938.db2.gz VYZZLAWVBJIZJG-JOCHJYFZSA-N 0 0 375.880 6.591 50 0 GKAARN Cc1cc(C)c([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(C)c1 ZINC000101423798 570822044 /nfs/dbraw/zinc/82/20/44/570822044.db2.gz LNOWIJRHUWOFBT-RUZDIDTESA-N 0 0 383.516 6.862 50 0 GKAARN O=C(NCCC1=CCCCC1)c1cccc(-c2ccc(Oc3ccccc3)nn2)c1 ZINC000033131100 570822037 /nfs/dbraw/zinc/82/20/37/570822037.db2.gz QMZGXZHYHQRDMJ-UHFFFAOYSA-N 0 0 399.494 5.556 50 0 GKAARN Fc1cccc(Cl)c1Cn1cc(C(=S)N2CCCCC2)c2ccccc21 ZINC000004675659 570822281 /nfs/dbraw/zinc/82/22/81/570822281.db2.gz KASAGYSDEMHEPF-UHFFFAOYSA-N 0 0 386.923 5.644 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(CSCc3ccc(Cl)cc3)o2)[C@@H]1C ZINC000004676704 570822832 /nfs/dbraw/zinc/82/28/32/570822832.db2.gz FNXZURNWUGBXOR-CLCXKQKWSA-N 0 0 391.964 5.921 50 0 GKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccccc4C)c3)n2)cc1 ZINC000033139164 570823155 /nfs/dbraw/zinc/82/31/55/570823155.db2.gz XSPUHQYPQQDYRL-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN O=C(NCc1ccccc1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139137 570823292 /nfs/dbraw/zinc/82/32/92/570823292.db2.gz VXKNYAMIKMJYNS-UHFFFAOYSA-N 0 0 399.425 5.005 50 0 GKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4cccc(C)c4)c3)n2)cc1 ZINC000033139171 570823295 /nfs/dbraw/zinc/82/32/95/570823295.db2.gz QVDFXZAPOOZDBL-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN O=C(CSc1ccc2ccccc2c1)Nc1ccc(N2CCCCC2)cc1 ZINC000004507362 570823596 /nfs/dbraw/zinc/82/35/96/570823596.db2.gz RTPCOLNHYGHEQV-UHFFFAOYSA-N 0 0 376.525 5.561 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)N(CCc1cccs1)Cc1cccs1 ZINC000014113270 570823644 /nfs/dbraw/zinc/82/36/44/570823644.db2.gz XWTCGGNUQOTPEE-UHFFFAOYSA-N 0 0 380.538 5.105 50 0 GKAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000101513112 570824465 /nfs/dbraw/zinc/82/44/65/570824465.db2.gz KWFXGKPCSPWGSP-HSZRJFAPSA-N 0 0 396.450 5.135 50 0 GKAARN CCOCCSc1nnc(-c2cc(-c3cccs3)nc3ccccc32)o1 ZINC000014128580 570824502 /nfs/dbraw/zinc/82/45/02/570824502.db2.gz RMWPEMRJISERMM-UHFFFAOYSA-N 0 0 383.498 5.142 50 0 GKAARN O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 ZINC000004679223 570825439 /nfs/dbraw/zinc/82/54/39/570825439.db2.gz DSKOKBJCRGMVPG-NVNXTCNLSA-N 0 0 382.243 5.369 50 0 GKAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3ccccc3)cc2)nc1 ZINC000033139246 570825808 /nfs/dbraw/zinc/82/58/08/570825808.db2.gz CCAZYMDPKTWGMJ-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN CSc1cccc(N[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 ZINC000005701112 570825949 /nfs/dbraw/zinc/82/59/49/570825949.db2.gz HSEXZXWHHGVKIP-QFIPXVFZSA-N 0 0 376.525 5.817 50 0 GKAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCCC(C)C)cc3)nc2)cc1 ZINC000033139299 570825981 /nfs/dbraw/zinc/82/59/81/570825981.db2.gz VIQNDQXCRXPFOD-UHFFFAOYSA-N 0 0 375.472 5.020 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1Cl ZINC000033140079 570826365 /nfs/dbraw/zinc/82/63/65/570826365.db2.gz SVGOALPWNUNBRL-UHFFFAOYSA-N 0 0 391.902 5.808 50 0 GKAARN CCCN(CCC)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000001933563 570826967 /nfs/dbraw/zinc/82/69/67/570826967.db2.gz KAGFLMQNXKQJIH-UHFFFAOYSA-N 0 0 384.545 5.141 50 0 GKAARN Cc1ccsc1CN(C)Cn1nc(Nc2ccc(F)cc2)sc1=S ZINC000014186570 570827181 /nfs/dbraw/zinc/82/71/81/570827181.db2.gz AIYRCDJJXSGFIA-UHFFFAOYSA-N 0 0 380.539 5.016 50 0 GKAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000001948920 570827180 /nfs/dbraw/zinc/82/71/80/570827180.db2.gz OAFSIHFBGLQBLE-UHFFFAOYSA-N 0 0 383.488 5.058 50 0 GKAARN Fc1ccc(Nc2nn(CN3CCC[C@@H]3c3cccs3)c(=S)s2)cc1 ZINC000014188793 570827506 /nfs/dbraw/zinc/82/75/06/570827506.db2.gz JFJJNXIMYVYTMO-CQSZACIVSA-N 0 0 392.550 5.413 50 0 GKAARN CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000004515255 570827956 /nfs/dbraw/zinc/82/79/56/570827956.db2.gz KGHXCGAXDVIMEK-UHFFFAOYSA-N 0 0 380.469 5.040 50 0 GKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000065504873 570827993 /nfs/dbraw/zinc/82/79/93/570827993.db2.gz UTQMENOOWFCVFA-HKUYNNGSSA-N 0 0 380.513 5.510 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000012522411 570828983 /nfs/dbraw/zinc/82/89/83/570828983.db2.gz CXTPJGGETVDZGU-UHFFFAOYSA-N 0 0 376.456 5.323 50 0 GKAARN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c(C)c1 ZINC000004682350 570829097 /nfs/dbraw/zinc/82/90/97/570829097.db2.gz ZBTWJDXSKDMDJQ-VMPITWQZSA-N 0 0 379.312 5.137 50 0 GKAARN Cc1cccc(-c2noc(COc3ccc(Cl)cc3Br)n2)c1 ZINC000004682703 570829499 /nfs/dbraw/zinc/82/94/99/570829499.db2.gz PHGHKNCUNPIHOD-UHFFFAOYSA-N 0 0 379.641 5.040 50 0 GKAARN 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570844627 /nfs/dbraw/zinc/84/46/27/570844627.db2.gz LWGPFLFOOCLRNL-UHFFFAOYSA-N 0 0 392.846 5.050 50 0 GKAARN CSc1nc2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2s1 ZINC000032833252 570845506 /nfs/dbraw/zinc/84/55/06/570845506.db2.gz MPPATXFWXFWWEY-UHFFFAOYSA-N 0 0 385.445 5.065 50 0 GKAARN CO[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000032833868 570845987 /nfs/dbraw/zinc/84/59/87/570845987.db2.gz OKVMDZDGTBTHQV-JOCHJYFZSA-N 0 0 398.462 5.126 50 0 GKAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2)n1 ZINC000012545708 570846721 /nfs/dbraw/zinc/84/67/21/570846721.db2.gz UZEQJEQPDYJVDV-ZDUSSCGKSA-N 0 0 397.529 5.356 50 0 GKAARN COc1cccc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)c1O ZINC000004536072 570847201 /nfs/dbraw/zinc/84/72/01/570847201.db2.gz BUIRMZUAGJPYIN-UHFFFAOYSA-N 0 0 396.490 6.160 50 0 GKAARN COc1ccc2[nH]c(C(=O)N3CCC[C@@H](CCc4ccc(F)cc4)C3)c(C)c2c1 ZINC000071752237 570847362 /nfs/dbraw/zinc/84/73/62/570847362.db2.gz ZUUMBWHUXUKMIW-SFHVURJKSA-N 0 0 394.490 5.109 50 0 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CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000044087562 570863081 /nfs/dbraw/zinc/86/30/81/570863081.db2.gz JSLVSVBFXGXVOH-UHFFFAOYSA-N 0 0 386.904 5.156 50 0 GKAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccccc2)cc1 ZINC000044086423 570863494 /nfs/dbraw/zinc/86/34/94/570863494.db2.gz GWHHGAWWHNTCJA-UHFFFAOYSA-N 0 0 399.519 5.579 50 0 GKAARN Cc1ccc2nc(-c3ccc4c(c3)OCO4)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000004720508 570863580 /nfs/dbraw/zinc/86/35/80/570863580.db2.gz ZYVCKUFZQIELRV-UHFFFAOYSA-N 0 0 379.504 5.665 50 0 GKAARN O=C(Nc1ccc(-c2noc(C3CCC3)n2)cc1)Nc1cccc2c1CCCC2 ZINC000033257431 570863851 /nfs/dbraw/zinc/86/38/51/570863851.db2.gz UFPYECWINQDIAO-UHFFFAOYSA-N 0 0 388.471 5.527 50 0 GKAARN O=C(Nc1cccc(Br)c1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257725 570864328 /nfs/dbraw/zinc/86/43/28/570864328.db2.gz QRFUEJDKMZJTOE-UHFFFAOYSA-N 0 0 398.260 5.019 50 0 GKAARN CCCCC(=O)c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000005711542 570864903 /nfs/dbraw/zinc/86/49/03/570864903.db2.gz 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ZINC000033261106 570866658 /nfs/dbraw/zinc/86/66/58/570866658.db2.gz ACUQBCAWVVNWRJ-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN Cc1ccc(-c2cc(Nc3ccc(C(=O)Nc4ccccc4)cc3)ncn2)cc1 ZINC000033261254 570867481 /nfs/dbraw/zinc/86/74/81/570867481.db2.gz QFDKBLHFKBGIEQ-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN Cc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc32)cc1Cl ZINC000044169601 570867837 /nfs/dbraw/zinc/86/78/37/570867837.db2.gz DMTGSMGOTPPDAT-UHFFFAOYSA-N 0 0 379.891 5.566 50 0 GKAARN Cc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc32)cc1Cl ZINC000044169685 570867934 /nfs/dbraw/zinc/86/79/34/570867934.db2.gz HNKATLGDZWGKSU-UHFFFAOYSA-N 0 0 397.931 5.129 50 0 GKAARN CC1(C)CN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC[C@H]1C(F)(F)F ZINC000170611551 570868378 /nfs/dbraw/zinc/86/83/78/570868378.db2.gz BZNYLGDYIDCGQN-QGZVFWFLSA-N 0 0 399.384 5.048 50 0 GKAARN Fc1ccc(-c2csc3ncnc(N4CCC[C@@H]4c4cccnc4)c23)cc1 ZINC000012563643 570868794 /nfs/dbraw/zinc/86/87/94/570868794.db2.gz WFLBESHXGXQWGM-GOSISDBHSA-N 0 0 376.460 5.234 50 0 GKAARN Fc1cccc(-c2nc(-c3ccc(OCc4cccc(F)c4F)cc3)no2)c1 ZINC000037278930 570869267 /nfs/dbraw/zinc/86/92/67/570869267.db2.gz OBWYHKDIDHMWSC-UHFFFAOYSA-N 0 0 382.341 5.400 50 0 GKAARN Cc1oc(-c2ccccc2F)nc1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000014978996 570869302 /nfs/dbraw/zinc/86/93/02/570869302.db2.gz OXWCDWRHXAJSTO-UHFFFAOYSA-N 0 0 378.369 5.440 50 0 GKAARN CC(C)(C)CC(=O)Nc1ccc2c(c1)C(N1CCCC1)=Nc1ccccc1O2 ZINC000102862647 570869512 /nfs/dbraw/zinc/86/95/12/570869512.db2.gz GGQITCJQRZXPDS-UHFFFAOYSA-N 0 0 377.488 5.341 50 0 GKAARN CCCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102861939 570869522 /nfs/dbraw/zinc/86/95/22/570869522.db2.gz ZMDKROUKDVXSSS-XMMPIXPASA-N 0 0 390.527 6.737 50 0 GKAARN Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c(Cl)c1 ZINC000012564878 570869785 /nfs/dbraw/zinc/86/97/85/570869785.db2.gz KGTLJUSNTOPWGT-UHFFFAOYSA-N 0 0 399.966 5.018 50 0 GKAARN Cc1cc2c(cc1C)N[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000102878465 570869922 /nfs/dbraw/zinc/86/99/22/570869922.db2.gz 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/nfs/dbraw/zinc/87/25/09/570872509.db2.gz VSEHTMHFOZBZBG-CWTRNNRKSA-N 0 0 378.299 6.283 50 0 GKAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000102983018 570872626 /nfs/dbraw/zinc/87/26/26/570872626.db2.gz HAJKZJDPNDOFGP-ZFFYZDHPSA-N 0 0 393.486 5.238 50 0 GKAARN c1ccc2c(c1)oc1ccc([C@@H]3O[C@@H]4CCCC[C@H]4c4cc5c(cc43)OCO5)cc12 ZINC000015024552 570872766 /nfs/dbraw/zinc/87/27/66/570872766.db2.gz HYOKLNPNENTUES-USUFYUJYSA-N 0 0 398.458 6.461 50 0 GKAARN Cn1cc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)cn1 ZINC000046707120 570873057 /nfs/dbraw/zinc/87/30/57/570873057.db2.gz UKFBYKGRQLCJCT-UHFFFAOYSA-N 0 0 397.887 5.364 50 0 GKAARN O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000170615644 570873306 /nfs/dbraw/zinc/87/33/06/570873306.db2.gz XAGYQRICQKLTCF-OAHLLOKOSA-N 0 0 375.211 5.171 50 0 GKAARN COc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1OC(C)C ZINC000170615601 570873488 /nfs/dbraw/zinc/87/34/88/570873488.db2.gz FNEKAHLHJMSJAS-SFHVURJKSA-N 0 0 396.531 5.109 50 0 GKAARN Fc1cccc([C@H]2CC(c3ccsc3)=NN2C(=S)Nc2ccccc2)c1 ZINC000170615195 570873800 /nfs/dbraw/zinc/87/38/00/570873800.db2.gz CFCJMGKXKBJAIV-LJQANCHMSA-N 0 0 381.501 5.435 50 0 GKAARN Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000170616264 570873931 /nfs/dbraw/zinc/87/39/31/570873931.db2.gz SCZFKUMODHFPJX-UHFFFAOYSA-N 0 0 375.472 5.283 50 0 GKAARN CN(C(=O)CCc1ccc(OC(F)F)cc1)c1nc2c(cccc2Cl)s1 ZINC000170617652 570874959 /nfs/dbraw/zinc/87/49/59/570874959.db2.gz ZUQAUWMKZIWSKW-UHFFFAOYSA-N 0 0 396.846 5.147 50 0 GKAARN CCCCCCc1cc2cc3c(=O)n(-c4ccc(Cl)cc4)nc-3oc2cc1O ZINC000033261853 570876285 /nfs/dbraw/zinc/87/62/85/570876285.db2.gz UDIWPDPVNRIDMW-UHFFFAOYSA-N 0 0 396.874 5.565 50 0 GKAARN O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCCC1 ZINC000003581821 570876977 /nfs/dbraw/zinc/87/69/77/570876977.db2.gz JUOXUDJRVIPVPW-UHFFFAOYSA-N 0 0 398.959 5.448 50 0 GKAARN O=C(NC1CCCC1)c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003586168 570877189 /nfs/dbraw/zinc/87/71/89/570877189.db2.gz JPSUTDAOGHFDDG-UHFFFAOYSA-N 0 0 399.416 5.670 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000007542661 570877324 /nfs/dbraw/zinc/87/73/24/570877324.db2.gz YVIYIYGLAKZNEM-KRWDZBQOSA-N 0 0 395.934 5.791 50 0 GKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000007544752 570877740 /nfs/dbraw/zinc/87/77/40/570877740.db2.gz JHMGNCHPSYTZCW-IBGZPJMESA-N 0 0 399.469 5.053 50 0 GKAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033261360 570877995 /nfs/dbraw/zinc/87/79/95/570877995.db2.gz UEMDBUBBMVXRSB-UHFFFAOYSA-N 0 0 394.478 5.126 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O ZINC000170620212 570878174 /nfs/dbraw/zinc/87/81/74/570878174.db2.gz NQTPFOCKBPNHDK-UHFFFAOYSA-N 0 0 389.842 5.217 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033261345 570878205 /nfs/dbraw/zinc/87/82/05/570878205.db2.gz OFTGBUIPECINFX-UHFFFAOYSA-N 0 0 384.414 5.279 50 0 GKAARN Fc1ccccc1-c1ccc(SCc2nc(-c3ccccc3Cl)no2)nn1 ZINC000033262535 570878463 /nfs/dbraw/zinc/87/84/63/570878463.db2.gz VQTJTUOXZNDOQU-UHFFFAOYSA-N 0 0 398.850 5.278 50 0 GKAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000170620630 570878461 /nfs/dbraw/zinc/87/84/61/570878461.db2.gz CKIBINFRWKCEMV-JOCHJYFZSA-N 0 0 380.532 6.276 50 0 GKAARN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cncc2ccccc21 ZINC000170621055 570878469 /nfs/dbraw/zinc/87/84/69/570878469.db2.gz HAZAUPKMBUXVNF-UHFFFAOYSA-N 0 0 390.389 5.344 50 0 GKAARN O=C(Nc1cccc(Oc2ccccc2)c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000170620691 570878521 /nfs/dbraw/zinc/87/85/21/570878521.db2.gz BFYDAVZEPOVOJG-QFIPXVFZSA-N 0 0 392.430 5.223 50 0 GKAARN Oc1ccc(-c2nnc(Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)cc1 ZINC000003620935 570878608 /nfs/dbraw/zinc/87/86/08/570878608.db2.gz KKYIOGHELRCBRX-UHFFFAOYSA-N 0 0 397.356 5.645 50 0 GKAARN CCOC(=O)C=C(Nc1ccc2c(cc(-c3ccccc3)n2C)c1)C(F)(F)F ZINC000003622945 570878649 /nfs/dbraw/zinc/87/86/49/570878649.db2.gz ISDNFQCOEUFUJP-UYRXBGFRSA-N 0 0 388.389 5.267 50 0 GKAARN Clc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)c1 ZINC000015077055 570878992 /nfs/dbraw/zinc/87/89/92/570878992.db2.gz RTLQLTJRPOQCBA-HSZRJFAPSA-N 0 0 390.918 5.056 50 0 GKAARN CC(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000003628518 570879198 /nfs/dbraw/zinc/87/91/98/570879198.db2.gz WZIBVTRPISTJNL-QHCPKHFHSA-N 0 0 392.524 5.125 50 0 GKAARN CC(=O)c1c(C)oc2c1cc(OC(=O)c1cccc(Cl)c1)c1ccccc21 ZINC000003635048 570879595 /nfs/dbraw/zinc/87/95/95/570879595.db2.gz POIYJMAINQXWBJ-UHFFFAOYSA-N 0 0 378.811 5.970 50 0 GKAARN Cc1cnccc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl ZINC000015078856 570879594 /nfs/dbraw/zinc/87/95/94/570879594.db2.gz USEJDICZVDZTDY-OAQYLSRUSA-N 0 0 378.903 5.224 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)o1 ZINC000103175225 570879715 /nfs/dbraw/zinc/87/97/15/570879715.db2.gz UQQVWRTXXWFHRI-NQIIRXRSSA-N 0 0 399.277 6.137 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccsc1)Cc1ccco1 ZINC000044446486 570880035 /nfs/dbraw/zinc/88/00/35/570880035.db2.gz IEJZZWMUQGHVEU-UHFFFAOYSA-N 0 0 380.391 5.594 50 0 GKAARN Cc1ccc(C)c(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)c1 ZINC000003644740 570880308 /nfs/dbraw/zinc/88/03/08/570880308.db2.gz JGHVSTWSFPJWRZ-UHFFFAOYSA-N 0 0 392.568 5.499 50 0 GKAARN C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)[C@H]1C ZINC000103200587 570880408 /nfs/dbraw/zinc/88/04/08/570880408.db2.gz CTMCIHLEQRWJKC-XQBPLPMBSA-N 0 0 378.516 5.072 50 0 GKAARN O=C(c1cn(CCOc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000003648873 570880727 /nfs/dbraw/zinc/88/07/27/570880727.db2.gz DPBMYGBPLPBIDD-UHFFFAOYSA-N 0 0 375.855 5.605 50 0 GKAARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000003647499 570880752 /nfs/dbraw/zinc/88/07/52/570880752.db2.gz GCHMUTZORLOQCN-NRFANRHFSA-N 0 0 389.524 5.044 50 0 GKAARN Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000003647497 570880881 /nfs/dbraw/zinc/88/08/81/570880881.db2.gz GCHMUTZORLOQCN-OAQYLSRUSA-N 0 0 389.524 5.044 50 0 GKAARN Cc1cccc(C)c1OCC(=O)Nc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000003655423 570881225 /nfs/dbraw/zinc/88/12/25/570881225.db2.gz FDVHFXIETDXDKO-UHFFFAOYSA-N 0 0 399.446 5.298 50 0 aggregator GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000003655405 570881373 /nfs/dbraw/zinc/88/13/73/570881373.db2.gz VEKBXRBFQXGRIH-UHFFFAOYSA-N 0 0 381.840 5.631 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccccc1Cl ZINC000003655372 570881417 /nfs/dbraw/zinc/88/14/17/570881417.db2.gz KDIFUOTXUBSXID-UHFFFAOYSA-N 0 0 393.801 5.709 50 0 GKAARN CCCOc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)c1 ZINC000003655554 570881713 /nfs/dbraw/zinc/88/17/13/570881713.db2.gz GTMUZZLTATTYTR-UHFFFAOYSA-N 0 0 399.446 5.705 50 0 GKAARN CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658677 570881801 /nfs/dbraw/zinc/88/18/01/570881801.db2.gz FYYPULSILLMOJA-UHFFFAOYSA-N 0 0 377.488 6.119 50 0 GKAARN CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658701 570881884 /nfs/dbraw/zinc/88/18/84/570881884.db2.gz WHVSTKUUXRCMKP-OAHLLOKOSA-N 0 0 391.471 5.296 50 0 GKAARN O=C(N[C@H]1Sc2ccccc2N=C1c1cccs1)c1ccc(Cl)cc1 ZINC000170623687 570881849 /nfs/dbraw/zinc/88/18/49/570881849.db2.gz HLLFPZZDDWPBLY-IBGZPJMESA-N 0 0 384.913 5.384 50 0 GKAARN CCCCCCOc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O ZINC000003664924 570882209 /nfs/dbraw/zinc/88/22/09/570882209.db2.gz ODEXPHLQWVRXOM-XDJHFCHBSA-N 0 0 383.875 5.644 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1Oc1ccncc1 ZINC000170627081 570883037 /nfs/dbraw/zinc/88/30/37/570883037.db2.gz HPIBYAKISZOQPQ-UHFFFAOYSA-N 0 0 381.863 5.154 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc(COc4ccccc4)n3)cc12 ZINC000033264710 570883328 /nfs/dbraw/zinc/88/33/28/570883328.db2.gz HIDXUJBAONXOFC-UHFFFAOYSA-N 0 0 388.452 5.024 50 0 GKAARN O=C(Nc1ccc2[nH]ccc2c1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000170626356 570883424 /nfs/dbraw/zinc/88/34/24/570883424.db2.gz AKMTVPCXNGQEEC-OAQYLSRUSA-N 0 0 378.378 5.205 50 0 GKAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1)CCCC3 ZINC000033265554 570883608 /nfs/dbraw/zinc/88/36/08/570883608.db2.gz 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O=C(Cc1ccccc1Cl)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000097000974 570885985 /nfs/dbraw/zinc/88/59/85/570885985.db2.gz UTUNCUFSUDSIFG-JOCHJYFZSA-N 0 0 379.887 5.187 50 0 GKAARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)CC)C2 ZINC000022330603 570886365 /nfs/dbraw/zinc/88/63/65/570886365.db2.gz MAOWHXUUTZBUJQ-AWEZNQCLSA-N 0 0 379.566 5.595 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)(C)C)C[C@@H](C(C)(C)CC)CC2 ZINC000022333857 570886374 /nfs/dbraw/zinc/88/63/74/570886374.db2.gz NQTIBLOKGWUPTN-AWEZNQCLSA-N 0 0 393.593 5.841 50 0 GKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(Cl)ccc1Cl ZINC000012600603 570886388 /nfs/dbraw/zinc/88/63/88/570886388.db2.gz QQEWPHIMKPLHOV-IFIJOSMWSA-N 0 0 387.303 5.154 50 0 GKAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012600723 570886780 /nfs/dbraw/zinc/88/67/80/570886780.db2.gz YNQWEQDEGBKCHX-QGZVFWFLSA-N 0 0 399.519 5.095 50 0 GKAARN C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012601141 570886804 /nfs/dbraw/zinc/88/68/04/570886804.db2.gz BHZRHXHLDJZGEH-CYBMUJFWSA-N 0 0 399.903 5.905 50 0 GKAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccccc1Cl ZINC000012601667 570886837 /nfs/dbraw/zinc/88/68/37/570886837.db2.gz YITNPRSGVVXPTN-CQSZACIVSA-N 0 0 395.915 5.136 50 0 GKAARN Cc1ccccc1CN1CCN(Cc2ccccc2F)[C@H]1c1cccc(Cl)c1 ZINC000103623817 570887234 /nfs/dbraw/zinc/88/72/34/570887234.db2.gz ZCGNHBNTAZBZBN-DEOSSOPVSA-N 0 0 394.921 5.804 50 0 GKAARN Cc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(F)c1 ZINC000015313778 570889020 /nfs/dbraw/zinc/88/90/20/570889020.db2.gz ZDCBJJPMSYCCKE-UHFFFAOYSA-N 0 0 387.410 5.468 50 0 GKAARN Cc1nc(CSCCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cs1 ZINC000032891665 570889322 /nfs/dbraw/zinc/88/93/22/570889322.db2.gz AMIWQZUGVAGLQY-SNVBAGLBSA-N 0 0 389.373 5.259 50 0 GKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000033267750 570889436 /nfs/dbraw/zinc/88/94/36/570889436.db2.gz XOAIARLKUYWQJC-HXUWFJFHSA-N 0 0 391.421 5.400 50 0 GKAARN Cc1cccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c1C ZINC000033267835 570889542 /nfs/dbraw/zinc/88/95/42/570889542.db2.gz IMRKHFXXCGGTGK-NRFANRHFSA-N 0 0 398.510 5.144 50 0 GKAARN CCc1ccccc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267876 570889549 /nfs/dbraw/zinc/88/95/49/570889549.db2.gz RXNNAWXEMUIYNM-OAQYLSRUSA-N 0 0 398.510 5.089 50 0 GKAARN Cc1ccc(-c2nc3oc(-c4ccccc4)c(-c4ccccc4)c3c(N)n2)cc1 ZINC000012610359 570890512 /nfs/dbraw/zinc/89/05/12/570890512.db2.gz LWQISCCBHRSGLR-UHFFFAOYSA-N 0 0 377.447 6.114 50 0 GKAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1 ZINC000110243520 570890679 /nfs/dbraw/zinc/89/06/79/570890679.db2.gz CQJJITORTUQAOB-ZWKOTPCHSA-N 0 0 397.478 5.289 50 0 GKAARN O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009996085 570890792 /nfs/dbraw/zinc/89/07/92/570890792.db2.gz WCXKJRZHZSEMOC-HNNXBMFYSA-N 0 0 387.302 5.036 50 0 GKAARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 ZINC000103970058 570891102 /nfs/dbraw/zinc/89/11/02/570891102.db2.gz XTAKUQJEZJMFRM-WNSKOXEYSA-N 0 0 390.483 6.516 50 0 GKAARN CCc1ccc(NC(=O)[C@@H](C)Sc2nccn2-c2cccc(Cl)c2)cc1 ZINC000012617120 570891302 /nfs/dbraw/zinc/89/13/02/570891302.db2.gz LCBGTKCFXCTOLR-CQSZACIVSA-N 0 0 385.920 5.207 50 0 GKAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3nc4ccccc4s3)c2n1 ZINC000012618097 570891304 /nfs/dbraw/zinc/89/13/04/570891304.db2.gz CUKPOOOPMNYMQB-UHFFFAOYSA-N 0 0 375.280 6.039 50 0 GKAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cccc(C)c1C ZINC000012618747 570891415 /nfs/dbraw/zinc/89/14/15/570891415.db2.gz RCXBXMVSLZBYLO-UHFFFAOYSA-N 0 0 376.485 5.049 50 0 GKAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000012619648 570891749 /nfs/dbraw/zinc/89/17/49/570891749.db2.gz MPIKEBSZCZXTFS-UHFFFAOYSA-N 0 0 375.255 5.528 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1C ZINC000014496915 570892217 /nfs/dbraw/zinc/89/22/17/570892217.db2.gz IRBJSWMMYLRIBN-UHFFFAOYSA-N 0 0 378.284 5.381 50 0 GKAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000004568731 570892893 /nfs/dbraw/zinc/89/28/93/570892893.db2.gz GJIHIWNOAVTARW-KRWDZBQOSA-N 0 0 382.851 5.067 50 0 GKAARN O=C(/C=C/c1ccccc1)N(Cc1ccncc1)c1nc2ccc(F)cc2s1 ZINC000010254319 570893433 /nfs/dbraw/zinc/89/34/33/570893433.db2.gz MPLWCZNUMCVYCW-RMKNXTFCSA-N 0 0 389.455 5.077 50 0 GKAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc21 ZINC000013286637 570894648 /nfs/dbraw/zinc/89/46/48/570894648.db2.gz YKMZHWRZCYWVFM-FQEVSTJZSA-N 0 0 378.472 5.175 50 0 GKAARN O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320471 570894835 /nfs/dbraw/zinc/89/48/35/570894835.db2.gz RGNJHAOCSHSISF-UHFFFAOYSA-N 0 0 386.845 5.697 50 0 GKAARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N=C(Nc1nc3ccccc3o1)N2 ZINC000104084005 570895339 /nfs/dbraw/zinc/89/53/39/570895339.db2.gz CQWCQSJLEJCDOL-IBGZPJMESA-N 0 0 392.846 5.441 50 0 GKAARN Fc1ccccc1Cn1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000013330443 570895425 /nfs/dbraw/zinc/89/54/25/570895425.db2.gz AUVVRDIEARHFHH-UHFFFAOYSA-N 0 0 395.290 5.186 50 0 GKAARN Fc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000013330433 570895442 /nfs/dbraw/zinc/89/54/42/570895442.db2.gz CWLRYFJONGKYFW-UHFFFAOYSA-N 0 0 395.290 5.186 50 0 GKAARN Cc1cccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 ZINC000013329369 570895452 /nfs/dbraw/zinc/89/54/52/570895452.db2.gz PQRWYEQIFWTULA-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000013325759 570895466 /nfs/dbraw/zinc/89/54/66/570895466.db2.gz CXFUGDRNHYRIOF-UHFFFAOYSA-N 0 0 382.291 5.703 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000013324964 570895521 /nfs/dbraw/zinc/89/55/21/570895521.db2.gz FTXKQCOSCSNKAZ-HNNXBMFYSA-N 0 0 391.968 5.265 50 0 GKAARN S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)Nc1ccccc1Cl ZINC000013330924 570895873 /nfs/dbraw/zinc/89/58/73/570895873.db2.gz ULFIUWBNHCORLG-UHFFFAOYSA-N 0 0 377.300 5.047 50 0 GKAARN CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC000013331626 570896021 /nfs/dbraw/zinc/89/60/21/570896021.db2.gz LHIVHIJGXVARND-UHFFFAOYSA-N 0 0 398.894 5.244 50 0 GKAARN CCCCc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000013331380 570896033 /nfs/dbraw/zinc/89/60/33/570896033.db2.gz MPGCWPAYDBMYTM-UHFFFAOYSA-N 0 0 390.531 5.843 50 0 GKAARN Cc1ccc(-c2noc(CN3CCc4sccc4[C@@H]3c3cccs3)n2)cc1 ZINC000015548796 570896726 /nfs/dbraw/zinc/89/67/26/570896726.db2.gz QPICQRFXMBBPNM-HXUWFJFHSA-N 0 0 393.537 5.316 50 0 GKAARN Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C ZINC000004575396 570896760 /nfs/dbraw/zinc/89/67/60/570896760.db2.gz MXKALZPCQYXZAR-UHFFFAOYSA-N 0 0 394.514 8.172 50 0 GKAARN COc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2)c1 ZINC000004550855 570896794 /nfs/dbraw/zinc/89/67/94/570896794.db2.gz VTVKHFREGJFADL-LCUIJRPUSA-N 0 0 384.435 5.235 50 0 GKAARN C=CC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000004575741 570896955 /nfs/dbraw/zinc/89/69/55/570896955.db2.gz KMLJCANKPGNTHO-KCXKWZRCSA-N 0 0 378.422 5.274 50 0 GKAARN CN(C(=S)Nc1ccccc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000013479232 570897785 /nfs/dbraw/zinc/89/77/85/570897785.db2.gz XQUOHLQOCNDGJH-HXUWFJFHSA-N 0 0 390.911 5.146 50 0 GKAARN O=C1/C(=C/c2ccccc2Cl)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000013550689 570898255 /nfs/dbraw/zinc/89/82/55/570898255.db2.gz VUAZIAQMHKSEQZ-VXMHBOQLSA-N 0 0 382.916 5.887 50 0 GKAARN C/C(C=NNC(=O)c1cc(C2CC2)nc2ccccc21)=C/c1ccc(C(C)C)cc1 ZINC000013551686 570898273 /nfs/dbraw/zinc/89/82/73/570898273.db2.gz FETYVQWYLDKKEU-IUGZKCSNSA-N 0 0 397.522 6.055 50 0 GKAARN CC(=O)c1ccc(OC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000015319962 570898399 /nfs/dbraw/zinc/89/83/99/570898399.db2.gz DEARVKBYGZMLSL-UHFFFAOYSA-N 0 0 388.448 5.023 50 0 GKAARN Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)s1 ZINC000012620303 570898947 /nfs/dbraw/zinc/89/89/47/570898947.db2.gz PZWCXAMGNWZRJK-UHFFFAOYSA-N 0 0 393.537 5.792 50 0 GKAARN CCSc1nc(-c2ccccc2)c(NC(=O)[C@H](C)Oc2ccccc2)s1 ZINC000013575513 570899030 /nfs/dbraw/zinc/89/90/30/570899030.db2.gz PKFMJEPCDXQHQB-AWEZNQCLSA-N 0 0 384.526 5.328 50 0 GKAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc2ccccc2c1 ZINC000013694976 570900044 /nfs/dbraw/zinc/90/00/44/570900044.db2.gz MPFPLRMKUVJAOT-UHFFFAOYSA-N 0 0 398.487 5.357 50 0 GKAARN C[P@](=O)(Nc1cccc(Br)c1)Oc1cccc(Cl)c1Cl ZINC000001230870 570900235 /nfs/dbraw/zinc/90/02/35/570900235.db2.gz XOUJKYLCMPEUOS-HXUWFJFHSA-N 0 0 395.020 6.070 50 0 GKAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc(Cl)ccc1F ZINC000023074864 570901804 /nfs/dbraw/zinc/90/18/04/570901804.db2.gz FXDJFEXQQCWRQC-UHFFFAOYSA-N 0 0 382.140 5.326 50 0 GKAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)CC[C@H]2c1ccccc1 ZINC000103133925 570902544 /nfs/dbraw/zinc/90/25/44/570902544.db2.gz DFUVYUIOKPEVNC-PEISPCAHSA-N 0 0 395.502 5.462 50 0 GKAARN O=C(Nc1ccccc1)C(=Cc1ccc(Cl)s1)C(=O)Nc1ccccc1 ZINC000014177951 570903697 /nfs/dbraw/zinc/90/36/97/570903697.db2.gz BWAUHNJIYXYCQZ-UHFFFAOYSA-N 0 0 382.872 5.062 50 0 GKAARN CC(C)c1ccc2c(N)c(C(=O)c3ccc4c(c3)Cc3ccccc3-4)sc2n1 ZINC000005727536 570904603 /nfs/dbraw/zinc/90/46/03/570904603.db2.gz XXSORTKWSKHHOC-UHFFFAOYSA-N 0 0 384.504 5.804 50 0 GKAARN COC(=O)/C=C/c1cccc(NCc2ccc(-c3ccc(N(C)C)cc3)cc2)c1 ZINC000498050472 570905053 /nfs/dbraw/zinc/90/50/53/570905053.db2.gz BIKUFJLYWZKUMI-CXUHLZMHSA-N 0 0 386.495 5.218 50 0 GKAARN O=C(CCCOc1ccc(F)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000032906399 570905108 /nfs/dbraw/zinc/90/51/08/570905108.db2.gz OUYSBJYRRRPMIO-IBGZPJMESA-N 0 0 398.503 5.348 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000004578289 570905469 /nfs/dbraw/zinc/90/54/69/570905469.db2.gz QZODSRFPXZLOHI-ATVHPVEESA-N 0 0 394.224 5.054 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000014463193 570905525 /nfs/dbraw/zinc/90/55/25/570905525.db2.gz FRNCIRJJUUPFQA-UHFFFAOYSA-N 0 0 385.822 5.319 50 0 GKAARN Cc1c2cc(Cl)ccc2oc1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000015832443 570906055 /nfs/dbraw/zinc/90/60/55/570906055.db2.gz 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/nfs/dbraw/zinc/90/70/94/570907094.db2.gz VEXWGXMNXFOKRQ-FQEVSTJZSA-N 0 0 394.515 5.216 50 0 GKAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N(Cc1cccs1)C1CC1 ZINC000023112059 570907399 /nfs/dbraw/zinc/90/73/99/570907399.db2.gz ZWLSKMZPDQSYEB-UHFFFAOYSA-N 0 0 380.494 5.423 50 0 GKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2Br)s1 ZINC000015867035 570907545 /nfs/dbraw/zinc/90/75/45/570907545.db2.gz KMAPXNAEUKOHMK-INIZCTEOSA-N 0 0 393.350 5.968 50 0 GKAARN O=C(Nc1ccc(Br)cc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015867061 570907652 /nfs/dbraw/zinc/90/76/52/570907652.db2.gz IAEVCNKZOHWKFX-OAHLLOKOSA-N 0 0 379.323 5.660 50 0 GKAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000032907523 570907955 /nfs/dbraw/zinc/90/79/55/570907955.db2.gz RUZIFKKAMQZOHN-UHFFFAOYSA-N 0 0 397.862 5.232 50 0 GKAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(C3CC3)nc(C)c12 ZINC000032908084 570908798 /nfs/dbraw/zinc/90/87/98/570908798.db2.gz SELUVKPVLNRCDU-UHFFFAOYSA-N 0 0 375.856 5.230 50 0 GKAARN COc1ccc(C2=Cc3cc(OC)c(OC)cc3/C(=C/c3ccccc3)O2)cc1 ZINC000002475478 570909591 /nfs/dbraw/zinc/90/95/91/570909591.db2.gz IMYAUTKBMCJXTR-QRVIBDJDSA-N 0 0 386.447 5.739 50 0 GKAARN Cc1noc([C@H](NCc2cc(C)c(OCc3ccccc3C)c(C)c2)C(C)C)n1 ZINC000089690410 570909598 /nfs/dbraw/zinc/90/95/98/570909598.db2.gz DQHIXBZMHIHFFX-JOCHJYFZSA-N 0 0 393.531 5.369 50 0 GKAARN C[C@@H](Nc1ccc2c(c1)COC2)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000152702356 570909806 /nfs/dbraw/zinc/90/98/06/570909806.db2.gz PAGRIRYZSMNURA-LLVKDONJSA-N 0 0 375.255 5.852 50 0 GKAARN CCOc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1 ZINC000023126670 570910010 /nfs/dbraw/zinc/91/00/10/570910010.db2.gz NZBRFWABRLBBLI-UHFFFAOYSA-N 0 0 396.903 5.418 50 0 GKAARN Cc1ccc(C)c(Cn2cnc3c(-c4cccc(Cl)c4)csc3c2=O)c1 ZINC000023126540 570910363 /nfs/dbraw/zinc/91/03/63/570910363.db2.gz BPEXTJBAXWIDOQ-UHFFFAOYSA-N 0 0 380.900 5.444 50 0 GKAARN CC(=O)c1sc(NC(=O)CSc2ccc(C)cc2)nc1-c1ccccc1 ZINC000004496451 570912433 /nfs/dbraw/zinc/91/24/33/570912433.db2.gz DHOROCJCBSQQDW-UHFFFAOYSA-N 0 0 382.510 5.052 50 0 GKAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000032910013 570912881 /nfs/dbraw/zinc/91/28/81/570912881.db2.gz BHVWZZHTNJJHMG-INIZCTEOSA-N 0 0 385.419 5.231 50 0 GKAARN CCOc1ccc(-c2csc(NC(=O)c3ccc(SCC)cc3)n2)cc1 ZINC000007572893 570913996 /nfs/dbraw/zinc/91/39/96/570913996.db2.gz DCUGYOUGGBTEPL-UHFFFAOYSA-N 0 0 384.526 5.573 50 0 GKAARN O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1ccco1 ZINC000089794444 570914210 /nfs/dbraw/zinc/91/42/10/570914210.db2.gz CPFVSEYAPYEQGQ-OAHLLOKOSA-N 0 0 375.211 5.171 50 0 GKAARN c1ccc(-n2c(SCc3cccc4ccccc43)nnc2-c2ccncc2)cc1 ZINC000016207231 570917784 /nfs/dbraw/zinc/91/77/84/570917784.db2.gz FCICGCBXMYTEFW-UHFFFAOYSA-N 0 0 394.503 5.775 50 0 GKAARN Oc1ccc(CN(Cc2ccco2)c2nc(C(F)F)nc3ccccc32)cc1 ZINC000089866711 570917855 /nfs/dbraw/zinc/91/78/55/570917855.db2.gz ZWCILNQMQPWGNM-UHFFFAOYSA-N 0 0 381.382 5.073 50 0 GKAARN Clc1ccc2nc(CSc3nc4ccccc4o3)c(Br)n2c1 ZINC000004032113 570918096 /nfs/dbraw/zinc/91/80/96/570918096.db2.gz RPMKVZZZLJKKLO-UHFFFAOYSA-N 0 0 394.681 5.184 50 0 GKAARN O=C(Cc1cccc2ccccc21)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000004032475 570918440 /nfs/dbraw/zinc/91/84/40/570918440.db2.gz WIWNQGRJBOWJFL-UHFFFAOYSA-N 0 0 395.437 5.475 50 0 GKAARN Clc1ccc(-c2nc(CSc3nnc(NC4CC4)s3)cs2)cc1 ZINC000007577686 570918698 /nfs/dbraw/zinc/91/86/98/570918698.db2.gz ZNFDZIZKQUKWGU-UHFFFAOYSA-N 0 0 380.951 5.182 50 0 GKAARN CSc1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)s1 ZINC000032913779 570919306 /nfs/dbraw/zinc/91/93/06/570919306.db2.gz NOQYUSRWZPRIHF-UHFFFAOYSA-N 0 0 385.992 5.253 50 0 GKAARN Cc1ccc(-c2csc(N3N=C(C(F)(F)F)[C@@H]4C[C@@H](C)CC[C@@H]43)n2)cc1 ZINC000016957691 570919595 /nfs/dbraw/zinc/91/95/95/570919595.db2.gz ONSGVOKKWCWEOB-BJJXKVORSA-N 0 0 379.451 5.662 50 0 GKAARN Cc1cc2c(cc1C)N(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C=C2C ZINC000005744352 570919815 /nfs/dbraw/zinc/91/98/15/570919815.db2.gz HBGPKXJVFUSKPE-UHFFFAOYSA-N 0 0 389.326 6.844 50 0 GKAARN C[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)c1ccc2c(c1)CCC2 ZINC000005743969 570919868 /nfs/dbraw/zinc/91/98/68/570919868.db2.gz NGBHTYICWGEGHY-AWEZNQCLSA-N 0 0 395.296 5.741 50 0 GKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)cc1 ZINC000005740857 570919987 /nfs/dbraw/zinc/91/99/87/570919987.db2.gz UEIAVJIFNYLFLK-PZJWPPBQSA-N 0 0 396.277 5.631 50 0 GKAARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000023151835 570920000 /nfs/dbraw/zinc/92/00/00/570920000.db2.gz RABIAHMYSAPBEW-UHFFFAOYSA-N 0 0 398.462 5.269 50 0 GKAARN CC(C)NC(=S)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C ZINC000089941486 570920116 /nfs/dbraw/zinc/92/01/16/570920116.db2.gz LMPLFCKVSHMNAC-WMLDXEAASA-N 0 0 397.975 5.613 50 0 GKAARN Cc1cc(C)c(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000016267203 570920138 /nfs/dbraw/zinc/92/01/38/570920138.db2.gz OSYMDCHHSGLOQD-UHFFFAOYSA-N 0 0 383.879 5.277 50 0 GKAARN Cc1ccc2c(c1)-c1nc(SCc3ccc(C(C)(C)C)cc3)ncc1CS2 ZINC000005747429 570920252 /nfs/dbraw/zinc/92/02/52/570920252.db2.gz APXCMIOOBCXMFW-UHFFFAOYSA-N 0 0 392.593 6.648 50 0 GKAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc2ccccc2c1 ZINC000016284459 570920643 /nfs/dbraw/zinc/92/06/43/570920643.db2.gz ZXYWPUDEWSQRGX-UHFFFAOYSA-N 0 0 396.425 5.274 50 0 GKAARN Cc1nn(-c2nc(-c3ccc(Cl)c(Cl)c3)c(Cl)s2)c(C)c1Cl ZINC000005749065 570920749 /nfs/dbraw/zinc/92/07/49/570920749.db2.gz IEQZDVLGVGKYFQ-UHFFFAOYSA-N 0 0 393.126 6.226 50 0 GKAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc(F)c1 ZINC000016284464 570920735 /nfs/dbraw/zinc/92/07/35/570920735.db2.gz KVMMGLCPXKETLE-UHFFFAOYSA-N 0 0 388.446 5.244 50 0 GKAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cccc(Cl)c1Cl ZINC000007580487 570920903 /nfs/dbraw/zinc/92/09/03/570920903.db2.gz XUPDHTSGCTYCPI-UHFFFAOYSA-N 0 0 395.311 5.289 50 0 GKAARN Cc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)[C@@H](C)C2(C)C)cc1 ZINC000016293015 570921425 /nfs/dbraw/zinc/92/14/25/570921425.db2.gz VJBXSJDVAUCDJW-JLSDUUJJSA-N 0 0 390.354 6.706 50 0 GKAARN Cc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)[C@H](C)C2(C)C)cc1 ZINC000016293017 570921599 /nfs/dbraw/zinc/92/15/99/570921599.db2.gz VJBXSJDVAUCDJW-WBAXXEDZSA-N 0 0 390.354 6.706 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3C)n2)cc1 ZINC000005750108 570922175 /nfs/dbraw/zinc/92/21/75/570922175.db2.gz CIPYWWMIGLAIEX-UHFFFAOYSA-N 0 0 375.859 6.011 50 0 GKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc(F)cc4)ccc3Cl)oc2c(C)c1 ZINC000005749735 570922293 /nfs/dbraw/zinc/92/22/93/570922293.db2.gz IMWUHWKXVYMIJY-UHFFFAOYSA-N 0 0 394.833 6.156 50 0 GKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccccc2F)nn1 ZINC000016992421 570922708 /nfs/dbraw/zinc/92/27/08/570922708.db2.gz GKZJUBAZGKAPSI-UHFFFAOYSA-N 0 0 399.541 6.068 50 0 GKAARN COc1ccccc1C(=O)Nc1ccc2oc(C(=O)c3ccccc3)c(C)c2c1 ZINC000016993249 570922991 /nfs/dbraw/zinc/92/29/91/570922991.db2.gz JAMNWDINNCSJBN-UHFFFAOYSA-N 0 0 385.419 5.233 50 0 GKAARN O=C1OC2(c3ccccc3N1Cc1ccccc1Cl)C1CC3CC(C1)CC2C3 ZINC000004039203 570923852 /nfs/dbraw/zinc/92/38/52/570923852.db2.gz UHAHCEWDQPOPTN-UHFFFAOYSA-N 0 0 393.914 6.148 50 0 GKAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc(Cl)c1Cl ZINC000004589135 570924085 /nfs/dbraw/zinc/92/40/85/570924085.db2.gz PNTBDDRIQFMTHH-JYRVWZFOSA-N 0 0 397.055 5.100 50 0 GKAARN CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1 ZINC000004042625 570924551 /nfs/dbraw/zinc/92/45/51/570924551.db2.gz GFBSQNCQVQKBSK-UHFFFAOYSA-N 0 0 383.241 5.840 50 0 biogenic GKAARN O=C(c1cccnc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000004589622 570924721 /nfs/dbraw/zinc/92/47/21/570924721.db2.gz YMEYWILVRBWGRM-RPQOEOQASA-N 0 0 393.490 5.518 50 0 GKAARN COc1ccc(C)cc1NC(=O)CSc1ncc(-c2ccc(C)c(C)c2)o1 ZINC000017026315 570924773 /nfs/dbraw/zinc/92/47/73/570924773.db2.gz ISKXAEQVEJOWLK-UHFFFAOYSA-N 0 0 382.485 5.006 50 0 GKAARN Clc1c(-c2ccc(Cl)c(Cl)c2)nn2c1nccc2-c1ccccn1 ZINC000004049781 570925357 /nfs/dbraw/zinc/92/53/57/570925357.db2.gz SDFPEIXBILDUSI-UHFFFAOYSA-N 0 0 375.646 5.419 50 0 GKAARN O=C1[C@@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1ccccc1Cl ZINC000004052861 570925430 /nfs/dbraw/zinc/92/54/30/570925430.db2.gz LSJOOLHEEPOPMT-KRWDZBQOSA-N 0 0 394.824 5.265 50 0 GKAARN O=C1[C@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1ccccc1Cl ZINC000004052860 570925543 /nfs/dbraw/zinc/92/55/43/570925543.db2.gz LSJOOLHEEPOPMT-QGZVFWFLSA-N 0 0 394.824 5.265 50 0 GKAARN O=C(c1ccc(Cl)cc1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1F ZINC000004053076 570925841 /nfs/dbraw/zinc/92/58/41/570925841.db2.gz IKFPQMOCFMMABO-LEWJYISDSA-N 0 0 379.862 5.582 50 0 GKAARN Nc1c(Cl)cc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1Cl ZINC000016490238 570926447 /nfs/dbraw/zinc/92/64/47/570926447.db2.gz CUCYJDRDDDBVMM-UHFFFAOYSA-N 0 0 387.266 5.330 50 0 GKAARN Cc1ccc(Cn2cc(SCC(=O)N3CCCCC3)c3ccccc32)cc1 ZINC000004059710 570926696 /nfs/dbraw/zinc/92/66/96/570926696.db2.gz FJVPNFIZYDMLGC-UHFFFAOYSA-N 0 0 378.541 5.103 50 0 GKAARN Cc1cccc(Cn2cc(SCC(=O)N3CCCCC3)c3ccccc32)c1 ZINC000004059675 570926778 /nfs/dbraw/zinc/92/67/78/570926778.db2.gz JJQJEZQZERTADS-UHFFFAOYSA-N 0 0 378.541 5.103 50 0 GKAARN COc1ccc(NC(=O)c2cc(Cl)ccc2Nc2ccccc2)cc1OC ZINC000006490749 570926819 /nfs/dbraw/zinc/92/68/19/570926819.db2.gz LKIXDEICWJUEGJ-UHFFFAOYSA-N 0 0 382.847 5.353 50 0 GKAARN CC(C)c1ccc(/C=C/c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000004060005 570927282 /nfs/dbraw/zinc/92/72/82/570927282.db2.gz GLTMLJSVEVVCHG-DHZHZOJOSA-N 0 0 398.428 5.604 50 0 GKAARN Cc1sc2c(c1C)C(=O)N[C@H](c1cn(Cc3ccccc3)c3ccccc13)N2 ZINC000004062888 570927703 /nfs/dbraw/zinc/92/77/03/570927703.db2.gz VFVOXKXRKGUYKW-NRFANRHFSA-N 0 0 387.508 5.222 50 0 GKAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc2ccccc21 ZINC000004063045 570928067 /nfs/dbraw/zinc/92/80/67/570928067.db2.gz AUOQAEAAXXUMFJ-UHFFFAOYSA-N 0 0 381.460 5.764 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)c(C)c1 ZINC000004070184 570928496 /nfs/dbraw/zinc/92/84/96/570928496.db2.gz DNZUZCKAHWDRSY-UHFFFAOYSA-N 0 0 393.331 5.503 50 0 GKAARN Cc1ccc(NC(=O)OC2CCCCC2)cc1NC(=O)Nc1ccccc1O ZINC000001233402 570929119 /nfs/dbraw/zinc/92/91/19/570929119.db2.gz UPZQGLKPUCVXJD-UHFFFAOYSA-N 0 0 383.448 5.226 50 0 GKAARN O=C(Cc1cccc2ccccc21)Nc1nnc(-c2ccccc2Cl)s1 ZINC000004072124 570929524 /nfs/dbraw/zinc/92/95/24/570929524.db2.gz CEVUEQOIBXGFRU-UHFFFAOYSA-N 0 0 379.872 5.193 50 0 GKAARN O=C1c2ccccc2C(=O)N1C/C=C1/c2ccccc2CSc2ccccc21 ZINC000017185437 570929571 /nfs/dbraw/zinc/92/95/71/570929571.db2.gz RSHIDBWJQGOIGE-AQTBWJFISA-N 0 0 383.472 5.020 50 0 GKAARN COC(=O)[C@]12[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]1(c1ccccc1)C2(C)C ZINC000017185127 570929584 /nfs/dbraw/zinc/92/95/84/570929584.db2.gz JBRHSQHVVGXSCZ-YWUUFRFPSA-N 0 0 382.503 5.705 50 0 GKAARN COc1ccccc1-c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000004071764 570929572 /nfs/dbraw/zinc/92/95/72/570929572.db2.gz ZAEBJZJMBACKGB-UHFFFAOYSA-N 0 0 378.375 5.090 50 0 GKAARN CCc1ccc([C@H]2CCCCCN2C(=O)c2sc(-c3ccccn3)nc2C)o1 ZINC000170635265 570930124 /nfs/dbraw/zinc/93/01/24/570930124.db2.gz KTDQFZRHYOYZEW-GOSISDBHSA-N 0 0 395.528 5.426 50 0 GKAARN Cc1cc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc(C)c1Cl ZINC000000935625 570930387 /nfs/dbraw/zinc/93/03/87/570930387.db2.gz YXNQQFBHNSYHIW-GFCCVEGCSA-N 0 0 382.685 5.125 50 0 GKAARN O[C@@H](Cc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000016675693 570930413 /nfs/dbraw/zinc/93/04/13/570930413.db2.gz UNVRHAYLRCDRFI-NRFANRHFSA-N 0 0 380.850 5.153 50 0 GKAARN O=C(OCc1cccc(Br)c1)c1ccccc1C(=O)c1ccccc1 ZINC000000935788 570930440 /nfs/dbraw/zinc/93/04/40/570930440.db2.gz WSNAPMCNXVVTHP-UHFFFAOYSA-N 0 0 395.252 5.037 50 0 GKAARN S=C1N=C2CCC(Cc3ccc(Cl)cc3)=C2[C@H](c2ccc(Cl)cc2)N1 ZINC000210101639 570931055 /nfs/dbraw/zinc/93/10/55/570931055.db2.gz USQIODOIPOLTQK-RNUYOQPASA-N 0 0 387.335 5.644 50 0 GKAARN CCc1ccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)cc1 ZINC000001118071 570931400 /nfs/dbraw/zinc/93/14/00/570931400.db2.gz WSQBHJCFGNGECP-UHFFFAOYSA-N 0 0 377.827 5.495 50 0 GKAARN Cc1cc(OC(=O)Nc2ccccc2)c(C(C)C)cc1I ZINC000001123665 570931834 /nfs/dbraw/zinc/93/18/34/570931834.db2.gz QQYAADZLAUQDQF-UHFFFAOYSA-N 0 0 395.240 5.334 50 0 GKAARN CCCCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000001787284 570932747 /nfs/dbraw/zinc/93/27/47/570932747.db2.gz XEMHMZFGRSKOEJ-INIZCTEOSA-N 0 0 375.896 5.542 50 0 GKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2cccs2)c(C(C)C)c1 ZINC000016780334 570933462 /nfs/dbraw/zinc/93/34/62/570933462.db2.gz CNZOSWPQFNZIEU-UHFFFAOYSA-N 0 0 379.591 5.597 50 0 GKAARN COC(=O)c1c(NC(=O)CCc2ccccc2)sc(C)c1-c1ccccc1 ZINC000002872128 570933744 /nfs/dbraw/zinc/93/37/44/570933744.db2.gz RLJRCHUGKZQNKA-UHFFFAOYSA-N 0 0 379.481 5.081 50 0 GKAARN Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)n1 ZINC000025651713 570935414 /nfs/dbraw/zinc/93/54/14/570935414.db2.gz AVWJPOXSKVTUHR-UHFFFAOYSA-N 0 0 378.382 5.054 50 0 GKAARN COc1ccc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 ZINC000016956645 570935814 /nfs/dbraw/zinc/93/58/14/570935814.db2.gz LZSXLAGWCKUYFG-UHFFFAOYSA-N 0 0 383.495 6.347 50 0 GKAARN O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1ccccc1Cl ZINC000017016011 570937013 /nfs/dbraw/zinc/93/70/13/570937013.db2.gz FHSQWUNDCMNCKN-UHFFFAOYSA-N 0 0 396.324 5.390 50 0 GKAARN Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(N4CCCCCC4)c3)c2)cs1 ZINC000170637019 570937102 /nfs/dbraw/zinc/93/71/02/570937102.db2.gz JNPBPIKIEVODOX-UHFFFAOYSA-N 0 0 380.517 5.079 50 0 GKAARN Cc1c(OC(C)C)ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc12 ZINC000006184499 570937179 /nfs/dbraw/zinc/93/71/79/570937179.db2.gz KCTPLWJZZJBYFI-UHFFFAOYSA-N 0 0 378.346 5.700 50 0 GKAARN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000006257534 570937219 /nfs/dbraw/zinc/93/72/19/570937219.db2.gz ARGSURHVYVGVOO-PZJWPPBQSA-N 0 0 379.822 5.116 50 0 GKAARN CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccccc2)s1 ZINC000017056502 570937894 /nfs/dbraw/zinc/93/78/94/570937894.db2.gz JECRLDQBAOSMRP-CQSZACIVSA-N 0 0 382.489 5.275 50 0 GKAARN Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000006756680 570939187 /nfs/dbraw/zinc/93/91/87/570939187.db2.gz NZSAOIXYZOCCHI-UHFFFAOYSA-N 0 0 392.455 5.387 50 0 GKAARN Cn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1 ZINC000017078134 570939621 /nfs/dbraw/zinc/93/96/21/570939621.db2.gz QTEZRBXGBXBXQY-UHFFFAOYSA-N 0 0 382.489 5.037 50 0 GKAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(C)cc4)c(C)c3cc12 ZINC000002092773 570940565 /nfs/dbraw/zinc/94/05/65/570940565.db2.gz YSFYRVGMQNMNMZ-UHFFFAOYSA-N 0 0 375.424 5.036 50 0 biogenic GKAARN CCCCc1cc(=O)oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 ZINC000002091917 570940581 /nfs/dbraw/zinc/94/05/81/570940581.db2.gz KOVNBQVUSSACOV-UHFFFAOYSA-N 0 0 394.470 7.216 50 0 biogenic GKAARN Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c1 ZINC000002093928 570940833 /nfs/dbraw/zinc/94/08/33/570940833.db2.gz ZPYANSQGRRETGS-UHFFFAOYSA-N 0 0 399.446 5.094 50 0 biogenic GKAARN COC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc(C)c1-c1ccccc1 ZINC000017081541 570941299 /nfs/dbraw/zinc/94/12/99/570941299.db2.gz CJDZTFPGQZUIHA-UHFFFAOYSA-N 0 0 398.509 5.025 50 0 GKAARN O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)Nc1cccc2ccccc21 ZINC000017080721 570941367 /nfs/dbraw/zinc/94/13/67/570941367.db2.gz BLWWWXABANVRPI-UHFFFAOYSA-N 0 0 394.837 5.521 50 0 GKAARN C/C=C/c1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc(OC)c1OC ZINC000036619877 570942988 /nfs/dbraw/zinc/94/29/88/570942988.db2.gz MUHHNABKHBGQJX-PXTSUWAFSA-N 0 0 383.513 5.268 50 0 GKAARN O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)Nc1cccc(Cl)c1 ZINC000017208126 570943592 /nfs/dbraw/zinc/94/35/92/570943592.db2.gz GXAXSJSQPBGPSX-UHFFFAOYSA-N 0 0 399.690 5.809 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1N(C)c1ccccc1 ZINC000032931785 570946441 /nfs/dbraw/zinc/94/64/41/570946441.db2.gz CMZKIGXQSRHKTB-UHFFFAOYSA-N 0 0 397.478 5.599 50 0 GKAARN CSc1ccccc1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000032931772 570946466 /nfs/dbraw/zinc/94/64/66/570946466.db2.gz TUAUMSQSPBSUHQ-UHFFFAOYSA-N 0 0 377.444 5.343 50 0 GKAARN COc1ccc(Cl)cc1CC(=O)Nc1ccccc1SC(F)(F)F ZINC000032931756 570946536 /nfs/dbraw/zinc/94/65/36/570946536.db2.gz JDPLFLOZYJUPGO-UHFFFAOYSA-N 0 0 375.799 5.142 50 0 GKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2c(C)cccc2C)ccc1Cl ZINC000032932148 570946711 /nfs/dbraw/zinc/94/67/11/570946711.db2.gz CIWMHEOTHNEVOZ-UHFFFAOYSA-N 0 0 390.874 5.251 50 0 GKAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(C)cc2C)ccc1Cl ZINC000032932174 570947016 /nfs/dbraw/zinc/94/70/16/570947016.db2.gz NWPNQXHLAKJPDQ-UHFFFAOYSA-N 0 0 390.874 5.251 50 0 GKAARN CCOc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)cc1OCC ZINC000033271102 570947107 /nfs/dbraw/zinc/94/71/07/570947107.db2.gz HUJDJWBFALKDEP-USCONSEESA-N 0 0 387.907 5.772 50 0 GKAARN c1c(CSc2nc3ccccc3n2CCc2ccccc2)nc2ccccn12 ZINC000012659278 570947195 /nfs/dbraw/zinc/94/71/95/570947195.db2.gz MDJSZPGCTXKREA-UHFFFAOYSA-N 0 0 384.508 5.219 50 0 GKAARN Cc1ccc(C)c(CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000002261726 570947285 /nfs/dbraw/zinc/94/72/85/570947285.db2.gz VTTNMUCEOROUOH-UHFFFAOYSA-N 0 0 393.002 6.393 50 0 GKAARN Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000002079396 570947336 /nfs/dbraw/zinc/94/73/36/570947336.db2.gz MXQSZOUMOJFZKG-UHFFFAOYSA-N 0 0 381.475 6.553 50 0 GKAARN Brc1ccc(C2=NO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000032934868 570947450 /nfs/dbraw/zinc/94/74/50/570947450.db2.gz FLSWKTAOPORDIG-HNNXBMFYSA-N 0 0 381.067 5.077 50 0 GKAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)nc2c1 ZINC000012660600 570947854 /nfs/dbraw/zinc/94/78/54/570947854.db2.gz GNDRPYGTKAJPMF-UHFFFAOYSA-N 0 0 399.825 5.274 50 0 GKAARN Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cccc(C)n21 ZINC000004733787 570948036 /nfs/dbraw/zinc/94/80/36/570948036.db2.gz MGNZRXPJXQMTJJ-UHFFFAOYSA-N 0 0 398.510 5.198 50 0 GKAARN Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(Cl)cc3)nc12 ZINC000004733602 570948063 /nfs/dbraw/zinc/94/80/63/570948063.db2.gz WRXYEYPWVIQBGK-UHFFFAOYSA-N 0 0 391.858 5.478 50 0 GKAARN CSc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733596 570948148 /nfs/dbraw/zinc/94/81/48/570948148.db2.gz SIKIVIYEPDDJHZ-UHFFFAOYSA-N 0 0 389.480 5.238 50 0 GKAARN C[C@H](NC(=O)c1ccccc1SCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000032936708 570948218 /nfs/dbraw/zinc/94/82/18/570948218.db2.gz UYAAFOKOJAHGNC-JTQLQIEISA-N 0 0 375.362 5.110 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004733637 570948382 /nfs/dbraw/zinc/94/83/82/570948382.db2.gz CCELHSDOVQNHBB-UHFFFAOYSA-N 0 0 391.858 5.478 50 0 GKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccnc1 ZINC000001240631 570948413 /nfs/dbraw/zinc/94/84/13/570948413.db2.gz CBUYVLKPFGQKSH-UHFFFAOYSA-N 0 0 399.837 5.949 50 0 GKAARN COc1ccc2c(c1)sc1nc(-c3ccsc3)c(Nc3ccccc3C)n21 ZINC000004734362 570948554 /nfs/dbraw/zinc/94/85/54/570948554.db2.gz WBDFFCPMPDWBAU-UHFFFAOYSA-N 0 0 391.521 6.338 50 0 GKAARN C=Cc1ccc(COc2ccc3oc(-c4ccccc4)c(C(=O)OCC)c3c2)cc1 ZINC000002106987 570948708 /nfs/dbraw/zinc/94/87/08/570948708.db2.gz RCLFQNVABWMQBN-UHFFFAOYSA-N 0 0 398.458 6.499 50 0 biogenic GKAARN CSc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735078 570948996 /nfs/dbraw/zinc/94/89/96/570948996.db2.gz XXWCCXFDBIMFAN-UHFFFAOYSA-N 0 0 375.453 5.196 50 0 GKAARN Cc1ccc(Nc2c(-c3cccs3)nc3ccc(Br)cn32)cc1 ZINC000004735143 570949483 /nfs/dbraw/zinc/94/94/83/570949483.db2.gz ZMOCPXRQJNBUDG-UHFFFAOYSA-N 0 0 384.302 5.877 50 0 GKAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000017986816 570949583 /nfs/dbraw/zinc/94/95/83/570949583.db2.gz KEIGXFCCOVMGHT-HOTGVXAUSA-N 0 0 388.250 5.241 50 0 GKAARN C[C@]12CCC(=O)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C ZINC000002110831 570950378 /nfs/dbraw/zinc/95/03/78/570950378.db2.gz UWBPSDCYSHEQGU-UTTZMRHLSA-N 0 0 398.631 6.420 50 0 biogenic GKAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018241413 570952155 /nfs/dbraw/zinc/95/21/55/570952155.db2.gz DVKDIXUNHPLEDU-URZJWIJPSA-N 0 0 391.511 5.702 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1C)CO3 ZINC000002117799 570952796 /nfs/dbraw/zinc/95/27/96/570952796.db2.gz HKXYAVNSHCRLIU-UHFFFAOYSA-N 0 0 377.484 5.417 50 0 biogenic GKAARN C=CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)SC1=S ZINC000000974524 570953017 /nfs/dbraw/zinc/95/30/17/570953017.db2.gz GKYKTLUCJIDGDI-MHWRWJLKSA-N 0 0 375.902 5.296 50 0 GKAARN N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(F)c2)[C@@H]1c1cccc(F)c1 ZINC000000989239 570953222 /nfs/dbraw/zinc/95/32/22/570953222.db2.gz QPGNCYVEKXRXQZ-IXMGXUHHSA-N 0 0 376.406 5.294 50 0 GKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1c(C)cccc1C(C)C)CO3 ZINC000002118774 570953320 /nfs/dbraw/zinc/95/33/20/570953320.db2.gz XGNHGAFEMKVKGL-UHFFFAOYSA-N 0 0 391.511 5.842 50 0 biogenic GKAARN CCOc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033278879 570953374 /nfs/dbraw/zinc/95/33/74/570953374.db2.gz IFLJKEQIUYKNDK-UHFFFAOYSA-N 0 0 385.423 5.055 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)c(Cl)c1)CO3 ZINC000002119639 570953714 /nfs/dbraw/zinc/95/37/14/570953714.db2.gz MCYSGYRAKWEASM-UHFFFAOYSA-N 0 0 397.902 5.762 50 0 biogenic GKAARN COc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000033286170 570954924 /nfs/dbraw/zinc/95/49/24/570954924.db2.gz NZRBWMVJIPDINM-MOSHPQCFSA-N 0 0 375.449 5.085 50 0 GKAARN O=C(/C=C/c1ccccc1)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000003222091 570955014 /nfs/dbraw/zinc/95/50/14/570955014.db2.gz VHOQEBPNAJVLLH-CCEZHUSRSA-N 0 0 387.460 5.073 50 0 GKAARN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N(C1CCCCC1)C1CCCCC1 ZINC000003178697 570955027 /nfs/dbraw/zinc/95/50/27/570955027.db2.gz FXJYEMRUEJNGEL-FBMGVBCBSA-N 0 0 395.518 6.593 50 0 GKAARN Cn1c2ccccc2c2c1C[C@H]1CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@@H]3[C@]1(C)C2 ZINC000252426664 570955186 /nfs/dbraw/zinc/95/51/86/570955186.db2.gz JNRQIXNKBLHYOI-UAVJOWSHSA-N 0 0 375.556 5.705 50 0 GKAARN NC(=O)c1ccc(-c2nc(CSC3=Nc4ccccc4CS3)cs2)cc1 ZINC000052890753 570956072 /nfs/dbraw/zinc/95/60/72/570956072.db2.gz UFHKDHMBQHTBAT-UHFFFAOYSA-N 0 0 397.550 5.077 50 0 GKAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1Cl ZINC000012023834 570956322 /nfs/dbraw/zinc/95/63/22/570956322.db2.gz ALOITNDCNKTUGJ-UHFFFAOYSA-N 0 0 387.870 5.123 50 0 GKAARN COc1ccc(-c2c3c4n(cc(-c5ccccc5)n4CCCC3)c2C(C)=O)cc1 ZINC000001293580 570956305 /nfs/dbraw/zinc/95/63/05/570956305.db2.gz AMXLEGYVIAVTHE-UHFFFAOYSA-N 0 0 384.479 5.622 50 0 GKAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2ccc(F)cc2C)c1 ZINC000033289065 570956489 /nfs/dbraw/zinc/95/64/89/570956489.db2.gz YCSCFVSNBIEOLG-UHFFFAOYSA-N 0 0 399.516 5.115 50 0 GKAARN O=C1OC(c2cccs2)=N/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000003316301 570956613 /nfs/dbraw/zinc/95/66/13/570956613.db2.gz LOKRNIYFKUPNNE-NTEUORMPSA-N 0 0 390.247 5.659 50 0 GKAARN CCCCc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000002122329 570956740 /nfs/dbraw/zinc/95/67/40/570956740.db2.gz SMBDXIWUGVILBK-UHFFFAOYSA-N 0 0 389.495 5.371 50 0 biogenic GKAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cc(Cl)cc(Cl)c1)CO3 ZINC000002122302 570956753 /nfs/dbraw/zinc/95/67/53/570956753.db2.gz HBWRAEQQBCJYDW-UHFFFAOYSA-N 0 0 376.239 5.073 50 0 biogenic GKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@H]2O ZINC000252448861 570957695 /nfs/dbraw/zinc/95/76/95/570957695.db2.gz DUUBUBZZDAETHQ-RWWNWZJGSA-N 0 0 394.942 5.956 50 0 GKAARN COc1ccc(-c2cc(=O)oc3c(C)c4oc(C)c(-c5ccccc5)c4cc23)cc1 ZINC000002126424 570957970 /nfs/dbraw/zinc/95/79/70/570957970.db2.gz UMDRJJKHBBHXHF-UHFFFAOYSA-N 0 0 396.442 6.499 50 0 biogenic GKAARN COc1ccccc1[C@@H](CC(=O)N1CCCCC1)c1ccc(OC(C)C)cc1 ZINC000001321445 570958284 /nfs/dbraw/zinc/95/82/84/570958284.db2.gz QSJFUGWSELTKDY-QFIPXVFZSA-N 0 0 381.516 5.017 50 0 biogenic GKAARN CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(OC)cc4)ns3)c(C)c2c1 ZINC000012111364 570959011 /nfs/dbraw/zinc/95/90/11/570959011.db2.gz KAUJHGLKDVSOFL-UHFFFAOYSA-N 0 0 393.468 5.083 50 0 GKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000025781982 570959261 /nfs/dbraw/zinc/95/92/61/570959261.db2.gz FRZRVBXZLHFDTA-GGAORHGYSA-N 0 0 390.870 5.591 50 0 GKAARN CSc1ccc2cc(CN3CC=C(c4ccccc4)CC3)c(Cl)nc2c1 ZINC000012691126 570959316 /nfs/dbraw/zinc/95/93/16/570959316.db2.gz IXFSXLZNSGUSRE-UHFFFAOYSA-N 0 0 380.944 5.899 50 0 GKAARN O=C1Nc2ccccc2Oc2cc(Oc3ccccc3)cc(Oc3ccccc3)c21 ZINC000004743915 570959896 /nfs/dbraw/zinc/95/98/96/570959896.db2.gz YTJIAXUBXFKRQN-UHFFFAOYSA-N 0 0 395.414 6.629 50 0 biogenic GKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)cc1 ZINC000032103502 570960077 /nfs/dbraw/zinc/96/00/77/570960077.db2.gz OCVSNOWNSMDJAC-UHFFFAOYSA-N 0 0 395.418 5.304 50 0 GKAARN Cc1ccccc1Nc1c(-c2cccnc2)nc2ccc(Br)cn21 ZINC000004126286 570960148 /nfs/dbraw/zinc/96/01/48/570960148.db2.gz XYOOLQQPNGVCIS-UHFFFAOYSA-N 0 0 379.261 5.211 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)c2ccccc2)c1 ZINC000004746440 570960350 /nfs/dbraw/zinc/96/03/50/570960350.db2.gz VJMZAEJTELUFBM-UHFFFAOYSA-N 0 0 384.262 5.785 50 0 GKAARN CCc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc1 ZINC000033290036 570960721 /nfs/dbraw/zinc/96/07/21/570960721.db2.gz GFBBZZHMYSVWIG-UHFFFAOYSA-N 0 0 392.571 5.160 50 0 GKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3C)c(C)s2)sc1C ZINC000033290064 570960873 /nfs/dbraw/zinc/96/08/73/570960873.db2.gz OJDLBKOKALALGR-UHFFFAOYSA-N 0 0 392.571 5.215 50 0 GKAARN Cc1ccc2oc(-c3ccc4c(c3)OCCO4)c/c(=N/Nc3ccccc3)c2c1 ZINC000032109448 570961331 /nfs/dbraw/zinc/96/13/31/570961331.db2.gz ZECZQJABFKHRIC-QOMWVZHYSA-N 0 0 384.435 5.107 50 0 biogenic GKAARN CSc1nc2ccc3nc(NC(=O)c4ccc(Cl)cc4)sc3c2s1 ZINC000004134745 570961812 /nfs/dbraw/zinc/96/18/12/570961812.db2.gz HXMLCROMBLGCGC-UHFFFAOYSA-N 0 0 391.930 5.534 50 0 GKAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccccc4C)no3)n2)cc1 ZINC000033298178 570961931 /nfs/dbraw/zinc/96/19/31/570961931.db2.gz ZRARFMDRWVIQNQ-UHFFFAOYSA-N 0 0 377.469 5.158 50 0 GKAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 ZINC000000637815 570963034 /nfs/dbraw/zinc/96/30/34/570963034.db2.gz QQNUGZJKIFNWSW-QFIPXVFZSA-N 0 0 398.911 5.436 50 0 GKAARN CCSc1nc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000033298867 570963042 /nfs/dbraw/zinc/96/30/42/570963042.db2.gz PXXMCQXLLVFURX-UHFFFAOYSA-N 0 0 398.962 5.004 50 0 GKAARN CSc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000007597713 570963394 /nfs/dbraw/zinc/96/33/94/570963394.db2.gz ICIMWMPUMOWQDW-UHFFFAOYSA-N 0 0 394.565 5.592 50 0 GKAARN Cc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2ccco2)cc1 ZINC000004144441 570964002 /nfs/dbraw/zinc/96/40/02/570964002.db2.gz DJBFQARXOPCQDX-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN Cc1ccc(Cl)cc1-n1c(SCc2cccc(F)c2)nnc1-c1ccco1 ZINC000004144733 570964428 /nfs/dbraw/zinc/96/44/28/570964428.db2.gz XDPHUEFMBCEJGI-UHFFFAOYSA-N 0 0 399.878 5.921 50 0 GKAARN Cc1ccccc1-n1c(SCc2ccccc2F)nnc1-c1ccncc1 ZINC000004144757 570964434 /nfs/dbraw/zinc/96/44/34/570964434.db2.gz PSWGGWSXXUBFGF-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN Cc1ccccc1-n1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000004144692 570964439 /nfs/dbraw/zinc/96/44/39/570964439.db2.gz BDIZHMPLVXRFBF-UHFFFAOYSA-N 0 0 381.888 5.781 50 0 GKAARN Cc1ccccc1-n1c(SCc2ccc(F)cc2F)nnc1-c1ccco1 ZINC000004144701 570964525 /nfs/dbraw/zinc/96/45/25/570964525.db2.gz AFKPQJYVFNQMOH-UHFFFAOYSA-N 0 0 383.423 5.406 50 0 GKAARN Cc1ccc(C)c(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 ZINC000007599137 570964722 /nfs/dbraw/zinc/96/47/22/570964722.db2.gz JTCUVPBDYOTTGA-UHFFFAOYSA-N 0 0 383.447 5.638 50 0 GKAARN C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)[C@H]1CCCO1 ZINC000252477271 570965186 /nfs/dbraw/zinc/96/51/86/570965186.db2.gz LADZTZUUORFUCF-WIBUTAKZSA-N 0 0 394.902 5.035 50 0 GKAARN CC[C@H](NC(=O)CSc1nc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 ZINC000004753636 570965435 /nfs/dbraw/zinc/96/54/35/570965435.db2.gz DCLOLHMUSXVANK-NAVXVDNBSA-N 0 0 384.545 5.031 50 0 GKAARN Cc1cc(F)ccc1NC(=O)c1cc2nc(N3CCCCC3)sc2s1 ZINC000033300991 570965676 /nfs/dbraw/zinc/96/56/76/570965676.db2.gz OUGLJPYXWYWSBY-UHFFFAOYSA-N 0 0 375.494 5.048 50 0 GKAARN CCOC(=O)/C=C/c1c(C(C)C)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000003091273 570966616 /nfs/dbraw/zinc/96/66/16/570966616.db2.gz CYPPHOGCEHKEHQ-CCEZHUSRSA-N 0 0 378.447 5.378 50 0 GKAARN CCc1nc(C)c(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)s1 ZINC000083830230 570967140 /nfs/dbraw/zinc/96/71/40/570967140.db2.gz FRQVDVUJIMVLMA-UHFFFAOYSA-N 0 0 382.514 5.179 50 0 GKAARN Fc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 ZINC000004757711 570967770 /nfs/dbraw/zinc/96/77/70/570967770.db2.gz ZXRJQUVTVUVZRP-UHFFFAOYSA-N 0 0 381.760 5.567 50 0 GKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)c(C)s2)cs1 ZINC000033308406 570968290 /nfs/dbraw/zinc/96/82/90/570968290.db2.gz BULMKRMUWYHEBI-UHFFFAOYSA-N 0 0 398.962 5.251 50 0 GKAARN CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccsc3)=NN21 ZINC000106922040 570968850 /nfs/dbraw/zinc/96/88/50/570968850.db2.gz ZIUAUGVOHIZUEX-KNQAVFIVSA-N 0 0 376.481 5.389 50 0 GKAARN CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(Cl)cc2C)cs1 ZINC000011327527 570968949 /nfs/dbraw/zinc/96/89/49/570968949.db2.gz FQUHERVPUKQZRH-UHFFFAOYSA-N 0 0 386.904 5.352 50 0 GKAARN CCCCc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1 ZINC000004167231 570970420 /nfs/dbraw/zinc/97/04/20/570970420.db2.gz QMKMCBCIDQFGEK-UHFFFAOYSA-N 0 0 383.542 5.279 50 0 GKAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000033312210 570970689 /nfs/dbraw/zinc/97/06/89/570970689.db2.gz XCGRSPWFIWLPHX-UHFFFAOYSA-N 0 0 393.390 5.346 50 0 GKAARN Cc1c(F)cccc1NC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000033312714 570971112 /nfs/dbraw/zinc/97/11/12/570971112.db2.gz XONWKYLYZXEKSN-UHFFFAOYSA-N 0 0 378.382 5.232 50 0 GKAARN Cc1cccc(-c2nc3ccccn3c2NC(=O)Nc2cc(F)ccc2F)c1 ZINC000033312686 570971208 /nfs/dbraw/zinc/97/12/08/570971208.db2.gz SYSFRJKXNCBRRB-UHFFFAOYSA-N 0 0 378.382 5.232 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(C(C)C)cc2)s1 ZINC000033312236 570971223 /nfs/dbraw/zinc/97/12/23/570971223.db2.gz LTXIRHHYGPNHSG-UHFFFAOYSA-N 0 0 379.529 6.133 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(C(C)C)c2)s1 ZINC000033312235 570971264 /nfs/dbraw/zinc/97/12/64/570971264.db2.gz RPIQCQAFJVKVOC-UHFFFAOYSA-N 0 0 379.529 6.133 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(Cl)cc2C)s1 ZINC000033312265 570971342 /nfs/dbraw/zinc/97/13/42/570971342.db2.gz GZKUMIMUOPEMPE-UHFFFAOYSA-N 0 0 385.920 5.972 50 0 GKAARN CCc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2cc(F)cc(F)c2)cc1 ZINC000033313955 570972212 /nfs/dbraw/zinc/97/22/12/570972212.db2.gz XFZPRQUKORYZAW-UHFFFAOYSA-N 0 0 378.426 5.622 50 0 GKAARN CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)C1CCCCCCC1 ZINC000083855659 570972436 /nfs/dbraw/zinc/97/24/36/570972436.db2.gz JEYRZSFZYMIMFN-UHFFFAOYSA-N 0 0 394.544 5.181 50 0 GKAARN CC(C)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000045942406 570973168 /nfs/dbraw/zinc/97/31/68/570973168.db2.gz GJFXJITVYZRQAS-HSZRJFAPSA-N 0 0 387.454 6.006 50 0 GKAARN COc1ccc(-c2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1 ZINC000002155757 570973622 /nfs/dbraw/zinc/97/36/22/570973622.db2.gz CZOQLIQHRCZHDQ-UHFFFAOYSA-N 0 0 386.447 5.664 50 0 GKAARN CN(Cc1cscn1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000083867738 570974214 /nfs/dbraw/zinc/97/42/14/570974214.db2.gz BRRGYDXJBSEXQX-UHFFFAOYSA-N 0 0 380.498 5.084 50 0 GKAARN O=c1oc2ccccc2c2c1[C@H](c1ccc(O)cc1)c1c(ccc3ccccc31)N2 ZINC000004173618 570974658 /nfs/dbraw/zinc/97/46/58/570974658.db2.gz JNOCQIHGLDXFAP-JOCHJYFZSA-N 0 0 391.426 5.889 50 0 GKAARN c1ccc(CN2CCN(Cc3ccccc3)C2c2ccc3ccccc3c2)cc1 ZINC000019324682 570974742 /nfs/dbraw/zinc/97/47/42/570974742.db2.gz MTIIEENGLXBWRB-UHFFFAOYSA-N 0 0 378.519 5.856 50 0 GKAARN CCn1c2ccccc2c2cc(N[C@@H](C(=O)NC3CC3)c3ccccc3)ccc21 ZINC000015468947 570976289 /nfs/dbraw/zinc/97/62/89/570976289.db2.gz BMFZXFIUEPEVHV-XMMPIXPASA-N 0 0 383.495 5.246 50 0 GKAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(C)cc(C)c1 ZINC000012732306 570976438 /nfs/dbraw/zinc/97/64/38/570976438.db2.gz BQDCXTCINQCCIZ-UHFFFAOYSA-N 0 0 383.879 5.059 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000085808377 570976428 /nfs/dbraw/zinc/97/64/28/570976428.db2.gz BXCJPDYWFBSWFK-UHFFFAOYSA-N 0 0 391.858 6.141 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000012735078 570977324 /nfs/dbraw/zinc/97/73/24/570977324.db2.gz WOHSLKPWHMBJLV-UHFFFAOYSA-N 0 0 397.478 5.168 50 0 GKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)NCc2cccc(OC)c2)cc1 ZINC000085808476 570977367 /nfs/dbraw/zinc/97/73/67/570977367.db2.gz CBNJVTJOQIZWHH-UHFFFAOYSA-N 0 0 399.494 5.728 50 0 GKAARN Cc1ccc2c(c1)OC=CC(C(=O)Nc1ncc(Cc3ccccc3F)s1)=C2 ZINC000033321300 570977861 /nfs/dbraw/zinc/97/78/61/570977861.db2.gz HPSAIYKZKCANND-UHFFFAOYSA-N 0 0 392.455 5.110 50 0 GKAARN Cc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(F)cc3)s1)C=CO2 ZINC000033321266 570978009 /nfs/dbraw/zinc/97/80/09/570978009.db2.gz OTYPOPGRADFOQD-UHFFFAOYSA-N 0 0 392.455 5.110 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)C3=Cc4ccc(C)cc4OC=C3)s2)cc1 ZINC000033321296 570978020 /nfs/dbraw/zinc/97/80/20/570978020.db2.gz ZZLBGJUWELEHEV-UHFFFAOYSA-N 0 0 388.492 5.279 50 0 GKAARN O=C(NCc1cccc(C(F)(F)F)c1)c1oc2ccccc2c1-n1cccc1 ZINC000001390464 570978079 /nfs/dbraw/zinc/97/80/79/570978079.db2.gz WNEISRGSIKHEAH-UHFFFAOYSA-N 0 0 384.357 5.172 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)C3=Cc4cc(C)ccc4OC=C3)s2)cc1 ZINC000033321264 570978257 /nfs/dbraw/zinc/97/82/57/570978257.db2.gz ACEGODAIZPTJIS-UHFFFAOYSA-N 0 0 388.492 5.279 50 0 GKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838221 570979038 /nfs/dbraw/zinc/97/90/38/570979038.db2.gz GEFXIMLQPRLREG-UHFFFAOYSA-N 0 0 397.356 5.381 50 0 GKAARN Cc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3C)no2)cc1 ZINC000033325009 570979629 /nfs/dbraw/zinc/97/96/29/570979629.db2.gz FSXAEXBUXBYYJS-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN COc1ccccc1[C@@H]1CC(c2ccsc2)=NN1C(=O)c1cccc(Cl)c1 ZINC000252509275 570979601 /nfs/dbraw/zinc/97/96/01/570979601.db2.gz YJDHAGXXDMDFEW-IBGZPJMESA-N 0 0 396.899 5.402 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)O[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000001400730 570981764 /nfs/dbraw/zinc/98/17/64/570981764.db2.gz ZGADLKIGBUZUSZ-FQEVSTJZSA-N 0 0 392.842 5.177 50 0 GKAARN CCOC(=O)c1c(-n2cccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000001400593 570981981 /nfs/dbraw/zinc/98/19/81/570981981.db2.gz ABWVNWNQCVABPM-UHFFFAOYSA-N 0 0 378.859 5.310 50 0 GKAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC000025875397 570982049 /nfs/dbraw/zinc/98/20/49/570982049.db2.gz LOKPKPTUQCXWCR-UHFFFAOYSA-N 0 0 399.425 5.187 50 0 GKAARN Cc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(C)c4)c3)no2)cc1 ZINC000033327245 570982189 /nfs/dbraw/zinc/98/21/89/570982189.db2.gz MGVOZBIGTXTNKN-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc2c(c1)-c1nc(SCc3c(F)cccc3Cl)ncc1CS2 ZINC000001403619 570982261 /nfs/dbraw/zinc/98/22/61/570982261.db2.gz FSUCEVPADWWQBM-UHFFFAOYSA-N 0 0 388.920 6.143 50 0 GKAARN Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4cccc(C)c4)n3)c2)c1 ZINC000033327261 570982347 /nfs/dbraw/zinc/98/23/47/570982347.db2.gz OETKGOBZJCFNJJ-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=CNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405000 570982566 /nfs/dbraw/zinc/98/25/66/570982566.db2.gz CQHUYKLRJVFDPA-UHFFFAOYSA-N 0 0 398.850 5.024 50 0 GKAARN Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3C)n2)c1 ZINC000033327278 570982685 /nfs/dbraw/zinc/98/26/85/570982685.db2.gz PMRBJVZASFULPS-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Nc1c(Cl)cc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc1Cl ZINC000044908899 570982836 /nfs/dbraw/zinc/98/28/36/570982836.db2.gz 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/nfs/dbraw/zinc/98/75/88/570987588.db2.gz CIDOVMZWODSVJU-UHFFFAOYSA-N 0 0 376.435 5.468 50 0 GKAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012745635 570988343 /nfs/dbraw/zinc/98/83/43/570988343.db2.gz GPWCXIPFZOYKAF-UHFFFAOYSA-N 0 0 384.401 5.403 50 0 GKAARN Cc1ccc(NC(=O)/C=C\c2cccs2)c(NC(=O)/C=C\c2cccs2)c1 ZINC000033332734 570988406 /nfs/dbraw/zinc/98/84/06/570988406.db2.gz YVLYHNUZNCXUAB-DEFDFUCDSA-N 0 0 394.521 5.422 50 0 GKAARN C(\c1cccs1)=C1\CCCCC2=NN(c3ccccc3)[C@H](c3cccs3)[C@H]21 ZINC000004784429 570988469 /nfs/dbraw/zinc/98/84/69/570988469.db2.gz IIQDJKCPBKIREC-KPHXZQBASA-N 0 0 390.577 7.001 50 0 GKAARN CCN(CC)C(=O)c1c(C)nc2sc3c(c2c1-c1cccs1)CCCC3 ZINC000012745589 570988659 /nfs/dbraw/zinc/98/86/59/570988659.db2.gz ZEIIXHLWLDFJTN-UHFFFAOYSA-N 0 0 384.570 5.694 50 0 GKAARN COc1ccccc1-n1c(/C=C/c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000004785265 570988866 /nfs/dbraw/zinc/98/88/66/570988866.db2.gz BWGNHMUVHFUIJZ-CCEZHUSRSA-N 0 0 393.446 5.046 50 0 GKAARN 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Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)oc2c1 ZINC000013946179 210097680 /nfs/dbraw/zinc/09/76/80/210097680.db2.gz GKIXWDWKCXUXFF-UHFFFAOYSA-N 0 0 386.451 5.438 50 0 GKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1CC)C(C)(C)N2 ZINC000013774335 210090184 /nfs/dbraw/zinc/09/01/84/210090184.db2.gz XTDFJSPWWXPBAY-LNVKXUELSA-N 0 0 396.581 6.331 50 0 GKAARN COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000013768971 210089401 /nfs/dbraw/zinc/08/94/01/210089401.db2.gz YBNIAFYYWBEHBD-NQIIRXRSSA-N 0 0 396.899 5.652 50 0 GKAARN C[C@@]1(c2ccc(Cl)c(Cl)c2)Nc2ccccc2-c2nc3ccccc3n21 ZINC000013786632 210089485 /nfs/dbraw/zinc/08/94/85/210089485.db2.gz MVSOOHXTHBGZGW-OAQYLSRUSA-N 0 0 380.278 6.157 50 0 GKAARN C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1 ZINC000013785205 210089327 /nfs/dbraw/zinc/08/93/27/210089327.db2.gz UTTRCGIIFYNNRJ-MRXNPFEDSA-N 0 0 389.886 5.229 50 0 GKAARN CCc1cccc(C)c1NC1=NC(=S)N(c2ccc(C)cc2)C12CCCC2 ZINC000013739407 210086122 /nfs/dbraw/zinc/08/61/22/210086122.db2.gz CWXMILHZXPCPSQ-UHFFFAOYSA-N 0 0 377.557 5.794 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)cc1 ZINC000013581949 210068159 /nfs/dbraw/zinc/06/81/59/210068159.db2.gz XNDQKPJMVLAJLO-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cc1ccc(Cl)cc1NC(=S)N(Cc1ccco1)[C@H](C)c1cccs1 ZINC000013544632 210067336 /nfs/dbraw/zinc/06/73/36/210067336.db2.gz XXCYHOFYRSMLJG-CQSZACIVSA-N 0 0 390.961 6.263 50 0 GKAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000013522764 210065775 /nfs/dbraw/zinc/06/57/75/210065775.db2.gz DERCFCKTYLGCHI-JOCHJYFZSA-N 0 0 387.508 5.243 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=S)Nc2cccc(Cl)c2C)cc1OC ZINC000013523990 210065398 /nfs/dbraw/zinc/06/53/98/210065398.db2.gz KELRDBMULRYLAZ-KRWDZBQOSA-N 0 0 390.936 5.200 50 0 GKAARN CN(C(=S)Nc1ccccc1F)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000013479234 210063758 /nfs/dbraw/zinc/06/37/58/210063758.db2.gz XQUOHLQOCNDGJH-FQEVSTJZSA-N 0 0 390.911 5.146 50 0 GKAARN CCCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1 ZINC000013370038 210058414 /nfs/dbraw/zinc/05/84/14/210058414.db2.gz RFFJBBAXLRVTKY-UXHICEINSA-N 0 0 392.547 5.109 50 0 biogenic GKAARN Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013368937 210058284 /nfs/dbraw/zinc/05/82/84/210058284.db2.gz DOSJYSSFGYBBKI-UHFFFAOYSA-N 0 0 375.859 5.304 50 0 GKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(C(C)C)cc1 ZINC000013331419 210057597 /nfs/dbraw/zinc/05/75/97/210057597.db2.gz ISRSHVDMSMNSNC-UHFFFAOYSA-N 0 0 376.504 5.624 50 0 GKAARN CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000013330169 210057715 /nfs/dbraw/zinc/05/77/15/210057715.db2.gz SWFVRXVEOLJFMB-AWEZNQCLSA-N 0 0 378.708 5.076 50 0 GKAARN CC(C)c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccs1 ZINC000013370084 210059648 /nfs/dbraw/zinc/05/96/48/210059648.db2.gz XXLVTHYKRDCMSB-SJORKVTESA-N 0 0 398.576 5.342 50 0 biogenic GKAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3F)c2)cs1 ZINC000013358113 210059602 /nfs/dbraw/zinc/05/96/02/210059602.db2.gz AOARIZLXLBBCIY-UHFFFAOYSA-N 0 0 396.896 5.020 50 0 GKAARN CC(C)c1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)C1CCCCC1 ZINC000013370088 210059123 /nfs/dbraw/zinc/05/91/23/210059123.db2.gz KXLUWRCSWNTSOU-UXHICEINSA-N 0 0 398.595 5.547 50 0 biogenic GKAARN CN(Cc1ccccc1)C(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369109 210059337 /nfs/dbraw/zinc/05/93/37/210059337.db2.gz IDHGNVLUENBVQN-UHFFFAOYSA-N 0 0 389.886 5.015 50 0 GKAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)C1(c2ccccc2)CCCC1 ZINC000013124688 210051721 /nfs/dbraw/zinc/05/17/21/210051721.db2.gz TVRAEBYFQWZCHE-UHFFFAOYSA-N 0 0 398.462 5.651 50 0 GKAARN Cc1cccc(C)c1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013097963 210051813 /nfs/dbraw/zinc/05/18/13/210051813.db2.gz ANYMTDGFEKYJRL-UHFFFAOYSA-N 0 0 397.340 5.142 50 0 GKAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccccc2)N1 ZINC000013121685 210051216 /nfs/dbraw/zinc/05/12/16/210051216.db2.gz SMBRLEUCIAAKQD-HXUWFJFHSA-N 0 0 383.476 5.219 50 0 aggregator GKAARN Fc1ccccc1C=C1CCCC2C1=Nc1ncnn1[C@@H]2c1ccccc1F ZINC000013120548 210050708 /nfs/dbraw/zinc/05/07/08/210050708.db2.gz UBGFSLMNOIUZOA-FFXXTYGZSA-N 0 0 376.410 5.093 50 0 GKAARN Cc1ccc(SCCC(=O)O[C@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000013017155 210047874 /nfs/dbraw/zinc/04/78/74/210047874.db2.gz XNXARQRCMVXBNP-QGZVFWFLSA-N 0 0 393.508 5.201 50 0 GKAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1Cl ZINC000013002874 210045154 /nfs/dbraw/zinc/04/51/54/210045154.db2.gz GUIPWCIKFFMLRK-UHFFFAOYSA-N 0 0 397.859 5.014 50 0 GKAARN CC(C)c1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1 ZINC000013036993 210047435 /nfs/dbraw/zinc/04/74/35/210047435.db2.gz BIMXLWVOORGLKL-MRXNPFEDSA-N 0 0 381.863 5.034 50 0 GKAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000013001717 210043375 /nfs/dbraw/zinc/04/33/75/210043375.db2.gz QANWAQXTWFSIEL-UHFFFAOYSA-N 0 0 376.840 5.075 50 0 GKAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)Cc4cccs4)cc3)o2)c1 ZINC000012986275 210042322 /nfs/dbraw/zinc/04/23/22/210042322.db2.gz STQWRUAJOZNYMB-UHFFFAOYSA-N 0 0 389.480 5.046 50 0 GKAARN COc1ccc(CN(C(=O)/C=C/c2ccco2)[C@@H](C)Cc2cccs2)cc1 ZINC000012945882 210033679 /nfs/dbraw/zinc/03/36/79/210033679.db2.gz MNCSBTMBVJNFBJ-FLVLSHQESA-N 0 0 381.497 5.023 50 0 GKAARN O=C(Nc1ccccc1Br)c1ccc(CSc2ccccc2)o1 ZINC000012930864 210032290 /nfs/dbraw/zinc/03/22/90/210032290.db2.gz WTQGSUSFOSCKMY-UHFFFAOYSA-N 0 0 388.286 5.587 50 0 GKAARN Cc1ccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(O)c1 ZINC000012924030 210030592 /nfs/dbraw/zinc/03/05/92/210030592.db2.gz JOCLOEQJTRUOPO-UHFFFAOYSA-N 0 0 392.402 5.024 50 0 GKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000012915866 210028880 /nfs/dbraw/zinc/02/88/80/210028880.db2.gz QJIOOSTZILPYCM-LBPRGKRZSA-N 0 0 388.876 5.046 50 0 GKAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012929224 210032475 /nfs/dbraw/zinc/03/24/75/210032475.db2.gz JOJFOIGZXWRZRY-QGZVFWFLSA-N 0 0 383.451 5.237 50 0 GKAARN CSc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)cc1 ZINC000012898120 210024636 /nfs/dbraw/zinc/02/46/36/210024636.db2.gz WWRSSRCZGXSNPS-UHFFFAOYSA-N 0 0 377.509 5.260 50 0 GKAARN COc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 ZINC000012895891 210024723 /nfs/dbraw/zinc/02/47/23/210024723.db2.gz ZJEGEFJNIGLWRV-UHFFFAOYSA-N 0 0 397.272 5.080 50 0 GKAARN CCOc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000012886007 210022482 /nfs/dbraw/zinc/02/24/82/210022482.db2.gz LFBPIIJEVVGQGL-GOSISDBHSA-N 0 0 393.314 5.168 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000012886754 210022123 /nfs/dbraw/zinc/02/21/23/210022123.db2.gz REPRRVGODMILLD-UHFFFAOYSA-N 0 0 378.520 5.820 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1ccc(-c2cccc(Br)c2)nc1C ZINC000012853210 210018567 /nfs/dbraw/zinc/01/85/67/210018567.db2.gz CHHZIVDZPXAWHZ-UHFFFAOYSA-N 0 0 395.300 5.689 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(OC)c(OC)c3)c3ccccc3o2)cc1 ZINC000012858352 210019390 /nfs/dbraw/zinc/01/93/90/210019390.db2.gz QCKUGFFMCLYBCF-LKUDQCMESA-N 0 0 387.435 5.358 50 0 biogenic GKAARN Cc1ccc(C)c(NC(=O)[C@H](N[C@H](C)c2cc3ccccc3o2)c2ccccc2)c1 ZINC000012859822 210019225 /nfs/dbraw/zinc/01/92/25/210019225.db2.gz NDELJZSXFOPTFI-KBMIEXCESA-N 0 0 398.506 6.080 50 0 GKAARN Cn1c(=S)n(CN2CCC[C@H]2c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012814225 210015890 /nfs/dbraw/zinc/01/58/90/210015890.db2.gz GTERHLMHJCZOKX-SFHVURJKSA-N 0 0 384.936 5.066 50 0 GKAARN FC(F)(F)c1cccc(-c2noc(CN3CC=C(c4ccccc4)CC3)n2)c1 ZINC000012806494 210013548 /nfs/dbraw/zinc/01/35/48/210013548.db2.gz AAKFTNPRMYEKEO-UHFFFAOYSA-N 0 0 385.389 5.045 50 0 GKAARN CCOc1ccc(Oc2ccccc2NC(=O)Cc2noc3ccccc23)cc1 ZINC000012778076 210007181 /nfs/dbraw/zinc/00/71/81/210007181.db2.gz REHYCJNVJUAYHH-UHFFFAOYSA-N 0 0 388.423 5.200 50 0 GKAARN CSc1ccc(CN(C)C(=O)c2cc3c(C)nn(CC(C)C)c3s2)cc1 ZINC000012800003 210011243 /nfs/dbraw/zinc/01/12/43/210011243.db2.gz RCXVZSSTYBAHDU-UHFFFAOYSA-N 0 0 387.574 5.056 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(C)cccc1C(C)C ZINC000012771374 210004603 /nfs/dbraw/zinc/00/46/03/210004603.db2.gz BIYLFOWADJFEPJ-UHFFFAOYSA-N 0 0 386.854 6.127 50 0 GKAARN O=C(CCC1CCCC1)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000012742054 209998149 /nfs/dbraw/zinc/99/81/49/209998149.db2.gz YOIRUDAEAYHQHQ-NRFANRHFSA-N 0 0 389.499 5.107 50 0 GKAARN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)[C@@H](C)c2nccs2)o1 ZINC000012713235 209995311 /nfs/dbraw/zinc/99/53/11/209995311.db2.gz VKPHIKXWXPRGHG-HNNXBMFYSA-N 0 0 396.491 5.229 50 0 GKAARN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012587954 209981952 /nfs/dbraw/zinc/98/19/52/209981952.db2.gz QHCXYSIRIXRSTP-MRXNPFEDSA-N 0 0 391.323 5.509 50 0 GKAARN Clc1ccc(Cl)c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000012377003 209946216 /nfs/dbraw/zinc/94/62/16/209946216.db2.gz DORODRJKRRDLHA-FLFQWRMESA-N 0 0 397.330 6.745 50 0 GKAARN O=C(Nc1ccccc1F)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O ZINC000012274606 209928843 /nfs/dbraw/zinc/92/88/43/209928843.db2.gz JPSFXDMYEZMLEV-FQEVSTJZSA-N 0 0 395.817 5.186 50 0 GKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c(Cl)c1 ZINC000012275916 209928575 /nfs/dbraw/zinc/92/85/75/209928575.db2.gz KRXXQOVNXDEGOW-UNMCSNQZSA-N 0 0 395.289 6.236 50 0 GKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)C[C@]4(C)[C@H]3CC[C@]21C ZINC000257349040 222780145 /nfs/dbraw/zinc/78/01/45/222780145.db2.gz LBFOECKXTQFXNG-PTNFYILZSA-N 0 0 384.648 7.453 50 0 GKAARN Cc1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1N1CCCC1=O ZINC000010956872 209868489 /nfs/dbraw/zinc/86/84/89/209868489.db2.gz RMIPYKHSBNPTIS-UHFFFAOYSA-N 0 0 386.451 5.166 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000010508148 209862395 /nfs/dbraw/zinc/86/23/95/209862395.db2.gz ACFJBQLQPMVCRE-UHFFFAOYSA-N 0 0 388.471 5.395 50 0 GKAARN Cc1ccc(F)cc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000010511615 209861980 /nfs/dbraw/zinc/86/19/80/209861980.db2.gz ZBKJUHOKBUDAAM-UHFFFAOYSA-N 0 0 394.475 5.441 50 0 GKAARN Cc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c(Cl)c1 ZINC000010510064 209861598 /nfs/dbraw/zinc/86/15/98/209861598.db2.gz PASIMJZIWKHHGB-UHFFFAOYSA-N 0 0 392.890 5.032 50 0 GKAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000036740987 209849781 /nfs/dbraw/zinc/84/97/81/209849781.db2.gz OXFUFKKEQKBOHK-LEWJYISDSA-N 0 0 380.488 5.427 50 0 GKAARN C[C@@H](CCCC(C)(C)O)NC(=O)c1csc(Nc2cccc3ccccc32)n1 ZINC000009846099 209847951 /nfs/dbraw/zinc/84/79/51/209847951.db2.gz USQFCVZHYSAHLS-HNNXBMFYSA-N 0 0 397.544 5.099 50 0 GKAARN Cc1nc2c(ccc3nc(NC(=O)c4cc(-c5ccccc5)on4)sc32)s1 ZINC000036689008 209846615 /nfs/dbraw/zinc/84/66/15/209846615.db2.gz IIEPOMPIKYVWTG-UHFFFAOYSA-N 0 0 392.465 5.122 50 0 GKAARN O=C(C[C@@H]1c2ccccc2C=C2c3cc4c(cc3CCN21)OCO4)c1ccccc1 ZINC000036635921 209846296 /nfs/dbraw/zinc/84/62/96/209846296.db2.gz PYCJPMXDAORYHF-HSZRJFAPSA-N 0 0 395.458 5.099 50 0 GKAARN Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2cccc(Cl)c2C)c1 ZINC000009722799 209844554 /nfs/dbraw/zinc/84/45/54/209844554.db2.gz WHMWMVKQHBKFDN-UHFFFAOYSA-N 0 0 381.907 5.437 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(N3CC[C@H](c4ccccc4)C3)n2)cc1 ZINC000009527059 209834539 /nfs/dbraw/zinc/83/45/39/209834539.db2.gz BLKGMXRXEGCWKG-FQEVSTJZSA-N 0 0 381.479 5.299 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000009527012 209833793 /nfs/dbraw/zinc/83/37/93/209833793.db2.gz ZQGIANREYCYEIC-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN COc1ccc(C)nc1-c1cccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c1 ZINC000299764623 222786269 /nfs/dbraw/zinc/78/62/69/222786269.db2.gz BRUSJLFDSQNBGI-JOCHJYFZSA-N 0 0 386.495 5.085 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2)cc1 ZINC000009361224 209826137 /nfs/dbraw/zinc/82/61/37/209826137.db2.gz YVKVVGRVFQQJBI-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cc1c2ccccc2oc1-c1nc(N)nc(Nc2ccc(Cl)cc2Cl)n1 ZINC000009334885 209825010 /nfs/dbraw/zinc/82/50/10/209825010.db2.gz FNJXDMVYZNBLMQ-UHFFFAOYSA-N 0 0 386.242 5.226 50 0 GKAARN CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000009341152 209825020 /nfs/dbraw/zinc/82/50/20/209825020.db2.gz LBYBSWCBTGDFNA-LJQANCHMSA-N 0 0 377.831 5.283 50 0 GKAARN Cc1ccc2cc3c(NC(=O)c4ccc(Cl)cc4)nn(CC(C)C)c3nc2c1 ZINC000009242420 209820602 /nfs/dbraw/zinc/82/06/02/209820602.db2.gz QYXJSWJLPZBIMY-UHFFFAOYSA-N 0 0 392.890 5.455 50 0 GKAARN C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000008851041 209803941 /nfs/dbraw/zinc/80/39/41/209803941.db2.gz IFYVVDYRCMBDRN-CQSZACIVSA-N 0 0 394.521 5.353 50 0 GKAARN Cc1csc(SCc2c3ccccc3oc2C(=O)Nc2cc(C)on2)n1 ZINC000008853282 209803275 /nfs/dbraw/zinc/80/32/75/209803275.db2.gz QHIXJMIZANBJOA-UHFFFAOYSA-N 0 0 385.470 5.039 50 0 GKAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]C3CCCCCCC3)c(C(=O)[O-])c2C)cc1 ZINC000008932870 209805233 /nfs/dbraw/zinc/80/52/33/209805233.db2.gz PRCKBGQNQDFKCI-UHFFFAOYSA-N 0 0 394.559 5.697 50 0 GKAARN CC(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000008754254 209799545 /nfs/dbraw/zinc/79/95/45/209799545.db2.gz AUJGHBWGZMKROK-UHFFFAOYSA-N 0 0 377.465 5.058 50 0 GKAARN CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(C)cc2)s1 ZINC000008771011 209799088 /nfs/dbraw/zinc/79/90/88/209799088.db2.gz 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/nfs/dbraw/zinc/34/45/33/209344533.db2.gz FFXWJXRAJIIXEM-UHFFFAOYSA-N 0 0 387.589 6.420 50 0 GKAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)c(Cl)c1 ZINC000002067642 209344346 /nfs/dbraw/zinc/34/43/46/209344346.db2.gz AYMBBQBHUOFFCQ-OAHLLOKOSA-N 0 0 393.122 6.079 50 0 GKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1 ZINC000002032615 209343723 /nfs/dbraw/zinc/34/37/23/209343723.db2.gz RLLPVAHGXHCWKJ-PKOBYXMFSA-N 0 0 391.294 6.113 50 0 fda GKAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N1c1ccccc1 ZINC000002049712 209343420 /nfs/dbraw/zinc/34/34/20/209343420.db2.gz VMVZMKFBYXAZCU-VWLOTQADSA-N 0 0 383.495 5.738 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1Cl ZINC000002023826 209343495 /nfs/dbraw/zinc/34/34/95/209343495.db2.gz OXWCBTMDRFGWFP-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1ccc(F)c(Cl)c1 ZINC000001900242 209342563 /nfs/dbraw/zinc/34/25/63/209342563.db2.gz LHDBTYYBHJPFEY-FXBPSFAMSA-N 0 0 376.909 6.162 50 0 GKAARN CCCOc1ccc(-c2csc3ncn(CCc4ccccc4)c(=O)c23)cc1 ZINC000001911984 209342682 /nfs/dbraw/zinc/34/26/82/209342682.db2.gz CGZXJGGYMJENID-UHFFFAOYSA-N 0 0 390.508 5.157 50 0 GKAARN O=c1oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c2c1CCCC2 ZINC000001904861 209342530 /nfs/dbraw/zinc/34/25/30/209342530.db2.gz VPABGOUIOCUOSS-UHFFFAOYSA-N 0 0 375.251 5.558 50 0 GKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1C ZINC000001847766 209341931 /nfs/dbraw/zinc/34/19/31/209341931.db2.gz GMUVCAKTBCLQCY-QFIPXVFZSA-N 0 0 378.855 5.738 50 0 GKAARN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)CC(C)C)c3)nc2c1 ZINC000001858778 209341589 /nfs/dbraw/zinc/34/15/89/209341589.db2.gz HGMHOEBFZXQKEU-AWEZNQCLSA-N 0 0 384.907 6.646 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c(C)c1 ZINC000001866173 209341280 /nfs/dbraw/zinc/34/12/80/209341280.db2.gz JTJOUJCTAKDODZ-UHFFFAOYSA-N 0 0 392.911 6.486 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4C)c3)oc2c1 ZINC000001863112 209341172 /nfs/dbraw/zinc/34/11/72/209341172.db2.gz RQLAYVCRBOCZSU-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN COc1ccc(/N=c2\cc(-c3ccccc3)oc3cc(C)cc(C)c32)c(OC)c1 ZINC000001892304 209340957 /nfs/dbraw/zinc/34/09/57/209340957.db2.gz GHLPBFAVSFZTKC-YYADALCUSA-N 0 0 385.463 5.966 50 0 GKAARN Cc1cc(OCCCC(=O)Nc2cccc(Br)c2)ccc1Cl ZINC000001787181 209340076 /nfs/dbraw/zinc/34/00/76/209340076.db2.gz ZNYCORCIYZWSFC-UHFFFAOYSA-N 0 0 382.685 5.209 50 0 GKAARN Cc1cc(OCc2cccc(Cl)c2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001797544 209339744 /nfs/dbraw/zinc/33/97/44/209339744.db2.gz ZHRMRHIFQZUTBW-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 GKAARN CCCCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000001770007 209339200 /nfs/dbraw/zinc/33/92/00/209339200.db2.gz DDAJPPAHLLMVKQ-UHFFFAOYSA-N 0 0 392.373 6.091 50 0 biogenic GKAARN CSc1cccc(NC(=O)OCCOc2ccc(-c3ccccc3)cc2)c1 ZINC000001753731 209339019 /nfs/dbraw/zinc/33/90/19/209339019.db2.gz OZLOAWFDNRFWBV-UHFFFAOYSA-N 0 0 379.481 5.703 50 0 GKAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc32)cc1 ZINC000001777780 209338718 /nfs/dbraw/zinc/33/87/18/209338718.db2.gz RTLKYGAMFYQWDB-UHFFFAOYSA-N 0 0 392.455 5.030 50 0 GKAARN O=c1c2ccc(OCc3ccccc3Cl)cc2occ1-c1ccccc1Cl ZINC000001770831 209338770 /nfs/dbraw/zinc/33/87/70/209338770.db2.gz YYHSXQIGORHKIS-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 biogenic GKAARN CCc1cccc(CC)c1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000001777368 209338598 /nfs/dbraw/zinc/33/85/98/209338598.db2.gz KJAULBBDFZXLSD-UHFFFAOYSA-N 0 0 380.315 5.916 50 0 GKAARN Cc1ccc(-c2csc3ncn(Cc4cccc(Cl)c4)c(=O)c23)cc1C ZINC000001778504 209338336 /nfs/dbraw/zinc/33/83/36/209338336.db2.gz NGPZUFRMQZGLMG-UHFFFAOYSA-N 0 0 380.900 5.444 50 0 GKAARN CCCCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1 ZINC000001741017 209337522 /nfs/dbraw/zinc/33/75/22/209337522.db2.gz GSXWDPOFUBTAFS-UHFFFAOYSA-N 0 0 391.540 5.840 50 0 GKAARN O=C(Oc1ccc(Cl)cc1)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000001728404 209337137 /nfs/dbraw/zinc/33/71/37/209337137.db2.gz OJKLQLPFXPZAJN-UHFFFAOYSA-N 0 0 387.218 5.432 50 0 GKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cccs1 ZINC000001746130 209336909 /nfs/dbraw/zinc/33/69/09/209336909.db2.gz CRFVJCBJZQFFAZ-UHFFFAOYSA-N 0 0 396.562 6.217 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000001512437 209331857 /nfs/dbraw/zinc/33/18/57/209331857.db2.gz BZZVVNYWBKBHCR-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001413235 209327093 /nfs/dbraw/zinc/32/70/93/209327093.db2.gz VGZQDOCSLQVIRY-QHCPKHFHSA-N 0 0 399.881 5.788 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccnn1C(=O)Nc1ccccc1 ZINC000001402521 209326159 /nfs/dbraw/zinc/32/61/59/209326159.db2.gz HJQBSDNHJVVPIL-GFCCVEGCSA-N 0 0 376.243 5.410 50 0 GKAARN Fc1ccc(-c2cnn3c2nc(-c2cccc(Cl)c2)cc3C(F)(F)F)cc1 ZINC000001384098 209325864 /nfs/dbraw/zinc/32/58/64/209325864.db2.gz RTBZZWMOVUOEAX-UHFFFAOYSA-N 0 0 391.755 5.875 50 0 GKAARN COc1ccc(Cc2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)cc1 ZINC000001384034 209325881 /nfs/dbraw/zinc/32/58/81/209325881.db2.gz HRIGVINIJSFTPR-UHFFFAOYSA-N 0 0 393.295 5.302 50 0 GKAARN CC(C)Nc1nc(Sc2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000001396765 209325761 /nfs/dbraw/zinc/32/57/61/209325761.db2.gz BFVUNRKCKJLLAZ-UHFFFAOYSA-N 0 0 392.244 5.229 50 0 GKAARN COc1ccc(SCCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000010219556 209322461 /nfs/dbraw/zinc/32/24/61/209322461.db2.gz JYYLPHUXRFIFDQ-UHFFFAOYSA-N 0 0 384.526 5.248 50 0 GKAARN O=C(CCCSc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1 ZINC000010218163 209322191 /nfs/dbraw/zinc/32/21/91/209322191.db2.gz CWVAMPYMYZUDMY-UHFFFAOYSA-N 0 0 389.933 5.370 50 0 GKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(F)cc1 ZINC000001307163 209319252 /nfs/dbraw/zinc/31/92/52/209319252.db2.gz RJRYLZIZJATNPA-IERDGZPVSA-N 0 0 375.447 5.810 50 0 GKAARN CC(C)c1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1CCCC2 ZINC000001253371 209318087 /nfs/dbraw/zinc/31/80/87/209318087.db2.gz DWZLSJADWVRRJF-UHFFFAOYSA-N 0 0 388.540 5.854 50 0 GKAARN COc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccs2)cc1 ZINC000001238020 209318194 /nfs/dbraw/zinc/31/81/94/209318194.db2.gz YRCXXROFYRZIQD-UHFFFAOYSA-N 0 0 379.510 5.297 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000001505411 209330878 /nfs/dbraw/zinc/33/08/78/209330878.db2.gz NZFHSRYDKUIRLW-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN O=C1c2ccccc2N[C@H](c2ccc3c4c(cccc42)CC3)N1c1ccccc1 ZINC000001459058 209329715 /nfs/dbraw/zinc/32/97/15/209329715.db2.gz OGTJVDNNRJZMCT-VWLOTQADSA-N 0 0 376.459 5.710 50 0 GKAARN Cc1c(C(=O)OC2CCCCCCC2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000001461212 209329745 /nfs/dbraw/zinc/32/97/45/209329745.db2.gz GRZUFHMWDXLWDF-HNNXBMFYSA-N 0 0 385.529 5.567 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)N2CCC(C)CC2)c2cccc(Cl)c2n1 ZINC000001459709 209329600 /nfs/dbraw/zinc/32/96/00/209329600.db2.gz MXNFTHLRXMOILT-UHFFFAOYSA-N 0 0 378.903 5.736 50 0 GKAARN CC(C)c1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000001454281 209329558 /nfs/dbraw/zinc/32/95/58/209329558.db2.gz SIMCZFIJCUYOFT-KPKJPENVSA-N 0 0 380.488 5.648 50 0 GKAARN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Sc2nc(-c3ccccc3)nn21 ZINC000001454322 209329206 /nfs/dbraw/zinc/32/92/06/209329206.db2.gz KBBHHQOAXIPBTF-AWEZNQCLSA-N 0 0 376.268 5.129 50 0 GKAARN CN(C)c1ccc(/C=C2\CCC/C(=C/c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000001464305 209328997 /nfs/dbraw/zinc/32/89/97/209328997.db2.gz NUVKWJHNZFGASG-CBSGOVTASA-N 0 0 383.438 5.574 50 0 GKAARN Cc1cc(C)c(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)c(C)c1 ZINC000001437028 209328549 /nfs/dbraw/zinc/32/85/49/209328549.db2.gz GWVGOSVRNCJOGG-YVSBVPJESA-N 0 0 381.519 6.094 50 0 GKAARN COc1ccc([C@H]2C=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000001437229 209328407 /nfs/dbraw/zinc/32/84/07/209328407.db2.gz RPYYTQQMXUZNJS-XMMPIXPASA-N 0 0 384.479 5.396 50 0 GKAARN CCOC(=O)c1cnc2cc(F)c(F)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000001432432 209327608 /nfs/dbraw/zinc/32/76/08/209327608.db2.gz YJBSLENALJKMOH-UHFFFAOYSA-N 0 0 380.753 5.226 50 0 GKAARN COc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2OC)c(F)c1F ZINC000001232062 209316278 /nfs/dbraw/zinc/31/62/78/209316278.db2.gz FUDIGUGQVGDUQP-UHFFFAOYSA-N 0 0 394.320 5.845 50 0 GKAARN CCOc1ccc(OC(=O)N[C@@H](c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001232261 209315899 /nfs/dbraw/zinc/31/58/99/209315899.db2.gz AFXGTOKQHYHJBU-HNNXBMFYSA-N 0 0 388.678 5.285 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1ccccc1 ZINC000001214467 209315328 /nfs/dbraw/zinc/31/53/28/209315328.db2.gz BVNZPEAOWGHBQP-UHFFFAOYSA-N 0 0 375.255 5.229 50 0 GKAARN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000001177696 209310925 /nfs/dbraw/zinc/31/09/25/209310925.db2.gz XYCUKDLJXKAHIV-UHFFFAOYSA-N 0 0 394.110 5.427 50 0 GKAARN COc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000001209055 209315241 /nfs/dbraw/zinc/31/52/41/209315241.db2.gz ANQJAAOKKRGWMK-NVNXTCNLSA-N 0 0 380.252 5.243 50 0 GKAARN Cc1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)cc1 ZINC000001212086 209314878 /nfs/dbraw/zinc/31/48/78/209314878.db2.gz PGXVJHFPNWDZTI-UHFFFAOYSA-N 0 0 379.641 5.040 50 0 GKAARN Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1 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O=C(Cc1cccc2ccccc21)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009134847 209250645 /nfs/dbraw/zinc/25/06/45/209250645.db2.gz PUUOUIDAFOUDOX-UHFFFAOYSA-N 0 0 394.430 5.379 50 0 GKAARN CC(C)COc1ccc(NC(=S)Nc2ccc(-c3ccccn3)cc2)cc1 ZINC000000538444 209249764 /nfs/dbraw/zinc/24/97/64/209249764.db2.gz WBZHNJKKIOZEEE-UHFFFAOYSA-N 0 0 377.513 5.592 50 0 in-man GKAARN CC(=O)c1cccc(N[C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000158217296 209246525 /nfs/dbraw/zinc/24/65/25/209246525.db2.gz XJKCMSYVWRPNLH-JTQLQIEISA-N 0 0 376.243 5.419 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000096662862 209241698 /nfs/dbraw/zinc/24/16/98/209241698.db2.gz KTLNCYIDWQVHQL-RGVLZGJSSA-N 0 0 377.875 5.003 50 0 GKAARN O=C(/C=C\c1ccc(OCc2cccnc2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000096794643 209241134 /nfs/dbraw/zinc/24/11/34/209241134.db2.gz KPUOYHSGGFFBQW-JBDIQEJZSA-N 0 0 384.479 5.038 50 0 GKAARN CCc1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc21 ZINC000015880452 209234693 /nfs/dbraw/zinc/23/46/93/209234693.db2.gz WQHWQRXVMGUIPD-UHFFFAOYSA-N 0 0 385.463 6.135 50 0 GKAARN Cc1c2ccc(NC(=O)c3ccccc3C)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729343 209235533 /nfs/dbraw/zinc/23/55/33/209235533.db2.gz VXXRSJPAJDLUGY-UHFFFAOYSA-N 0 0 383.447 5.841 50 0 GKAARN O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2cc1-c1ccccn1 ZINC000004746518 209232192 /nfs/dbraw/zinc/23/21/92/209232192.db2.gz GKKXMLOXNVZWEE-UHFFFAOYSA-N 0 0 381.790 5.227 50 0 GKAARN Cc1c2ccc(OC(=O)c3cccs3)cc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000004340159 209231512 /nfs/dbraw/zinc/23/15/12/209231512.db2.gz KIIIQRVYAYDUCR-UHFFFAOYSA-N 0 0 396.851 5.703 50 0 GKAARN COc1cccc(-c2coc3c2cc2c(-c4ccccc4)cc(=O)oc2c3C)c1 ZINC000002115026 209229410 /nfs/dbraw/zinc/22/94/10/209229410.db2.gz WZOGQUJSRHNGRQ-UHFFFAOYSA-N 0 0 382.415 6.190 50 0 biogenic GKAARN Cc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000002423734 209228954 /nfs/dbraw/zinc/22/89/54/209228954.db2.gz WOKHZUIZOKGRNT-UHFFFAOYSA-N 0 0 390.822 5.641 50 0 GKAARN C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000003881345 209229825 /nfs/dbraw/zinc/22/98/25/209229825.db2.gz UYIFTLBWAOGQBI-BZDYCCQFSA-N 0 0 376.496 5.123 50 0 world GKAARN COc1ccccc1-c1coc2cc(OC/C=C/c3ccccc3)ccc2c1=O ZINC000002096264 209229944 /nfs/dbraw/zinc/22/99/44/209229944.db2.gz PWJYLKWBHYXDGD-JXMROGBWSA-N 0 0 384.431 5.561 50 0 biogenic GKAARN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccco1 ZINC000001321650 209227907 /nfs/dbraw/zinc/22/79/07/209227907.db2.gz QZAKTTPJCPDBEO-BJKOFHAPSA-N 0 0 383.532 5.100 50 0 biogenic GKAARN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccco1 ZINC000001321648 209227627 /nfs/dbraw/zinc/22/76/27/209227627.db2.gz QZAKTTPJCPDBEO-DNQXCXABSA-N 0 0 383.532 5.100 50 0 biogenic GKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2c(C)c(C)ccc12 ZINC000001448138 209226532 /nfs/dbraw/zinc/22/65/32/209226532.db2.gz MBPQWYFHVUUXES-UHFFFAOYSA-N 0 0 383.241 5.894 50 0 biogenic GKAARN FC(F)(F)Oc1ccc(-c2noc(-c3cccn3CCc3ccccc3)n2)cc1 ZINC000263617727 209225950 /nfs/dbraw/zinc/22/59/50/209225950.db2.gz PINDICQYTKERKL-UHFFFAOYSA-N 0 0 399.372 5.346 50 0 GKAARN Nc1c(C(=O)Cc2ccccc2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 ZINC000257173765 209224681 /nfs/dbraw/zinc/22/46/81/209224681.db2.gz WQZHAVFXFNTRGT-UHFFFAOYSA-N 0 0 390.430 5.202 50 0 GKAARN CSc1nc2c(c(=O)n1C1CCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000002054767 212263599 /nfs/dbraw/zinc/26/35/99/212263599.db2.gz WZSITMSOIAXCNX-UHFFFAOYSA-N 0 0 380.557 5.505 50 0 biogenic GKAARN Cc1ccc(C(=O)N2c3ccc(C)cc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002065923 212263750 /nfs/dbraw/zinc/26/37/50/212263750.db2.gz IXVSFJSRFANHMB-UHFFFAOYSA-N 0 0 397.590 6.718 50 0 GKAARN O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1sc2ccccc2c1Cl ZINC000002069149 212263184 /nfs/dbraw/zinc/26/31/84/212263184.db2.gz ZJULLCNRXDRFBZ-UHFFFAOYSA-N 0 0 398.314 7.127 50 0 GKAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000002056227 212262904 /nfs/dbraw/zinc/26/29/04/212262904.db2.gz MCMJVHFWMALKFV-STZFKDTASA-N 0 0 389.838 5.264 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 ZINC000002027648 212262298 /nfs/dbraw/zinc/26/22/98/212262298.db2.gz VZFCQXCCPUNGRS-UHFFFAOYSA-N 0 0 394.540 6.365 50 0 GKAARN O=C(/C=C/c1ccc(F)cc1)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 ZINC000001915258 212260647 /nfs/dbraw/zinc/26/06/47/212260647.db2.gz QXXFOOJYYBGAGG-MDWZMJQESA-N 0 0 386.378 5.218 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccccc1 ZINC000001940170 212260472 /nfs/dbraw/zinc/26/04/72/212260472.db2.gz MBVFVPLZFFRZEA-BUHFOSPRSA-N 0 0 377.465 5.244 50 0 GKAARN C[C@H]1CN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)C[C@H](C)O1 ZINC000001904957 212260007 /nfs/dbraw/zinc/26/00/07/212260007.db2.gz WIHUIVISJVIMDN-IRXDYDNUSA-N 0 0 375.516 5.208 50 0 GKAARN Cc1ccc(C(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1 ZINC000257173084 209223874 /nfs/dbraw/zinc/22/38/74/209223874.db2.gz CGQOGIQPHLSLHW-UHFFFAOYSA-N 0 0 390.430 5.316 50 0 GKAARN CCCN(CCC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001843260 212259375 /nfs/dbraw/zinc/25/93/75/212259375.db2.gz INAUNJZTOMTUSV-UHFFFAOYSA-N 0 0 396.604 5.943 50 0 GKAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccc(Br)c1 ZINC000001878642 212259145 /nfs/dbraw/zinc/25/91/45/212259145.db2.gz GCAXVCQSHACACQ-AUWJEWJLSA-N 0 0 397.055 5.100 50 0 GKAARN S=c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)c2c1CCCC2 ZINC000001889944 212258925 /nfs/dbraw/zinc/25/89/25/212258925.db2.gz XYYDTQBKLVIZHG-UHFFFAOYSA-N 0 0 397.341 5.910 50 0 GKAARN O=C(COC(=O)c1ccccc1-c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001840137 212258996 /nfs/dbraw/zinc/25/89/96/212258996.db2.gz HNMYMWPLVOHHTR-UHFFFAOYSA-N 0 0 392.454 6.060 50 0 GKAARN O=C(c1ccccc1)[C@@H](Sc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000001862591 212258760 /nfs/dbraw/zinc/25/87/60/212258760.db2.gz WGLIADXLCOMFED-FQEVSTJZSA-N 0 0 379.868 6.198 50 0 GKAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc(C)cc1 ZINC000001836363 212257909 /nfs/dbraw/zinc/25/79/09/212257909.db2.gz CICVFZXQIIXHQU-RUZDIDTESA-N 0 0 394.478 5.404 50 0 GKAARN CC(C)CCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000001815897 212257234 /nfs/dbraw/zinc/25/72/34/212257234.db2.gz CBJDJNOUOQEICJ-UHFFFAOYSA-N 0 0 382.573 5.344 50 0 GKAARN O=c1c2ccccc2oc(-c2ccc(Cl)cc2)c1OCCc1ccccc1 ZINC000001791337 212257312 /nfs/dbraw/zinc/25/73/12/212257312.db2.gz RDRDVVNDDJTKPS-UHFFFAOYSA-N 0 0 376.839 5.735 50 0 GKAARN O=C1c2ccccc2CC[C@H]1[C@@H](Sc1ccccc1)c1ccc(Cl)cc1 ZINC000001799273 212257055 /nfs/dbraw/zinc/25/70/55/212257055.db2.gz JPMJZSGNHDDYPS-GGAORHGYSA-N 0 0 378.924 6.619 50 0 GKAARN COc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1)C(C)(C)N2 ZINC000001815307 212257064 /nfs/dbraw/zinc/25/70/64/212257064.db2.gz JLGJQFYFDYWDAA-UZYVYHOESA-N 0 0 388.945 6.032 50 0 GKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000001821104 212257194 /nfs/dbraw/zinc/25/71/94/212257194.db2.gz LADRZUHFERQZBU-VWLOTQADSA-N 0 0 389.926 6.475 50 0 aggregator GKAARN CC(C)c1ccc(NC[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1 ZINC000001801030 212256839 /nfs/dbraw/zinc/25/68/39/212256839.db2.gz NXIINSIOFFIIBF-HXUWFJFHSA-N 0 0 390.552 5.886 50 0 GKAARN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(Cl)c1 ZINC000001791057 212256931 /nfs/dbraw/zinc/25/69/31/212256931.db2.gz OPLVWEKMVCCBOT-UHFFFAOYSA-N 0 0 393.693 5.478 50 0 GKAARN CCOc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)oc21 ZINC000001834835 212256950 /nfs/dbraw/zinc/25/69/50/212256950.db2.gz OWFPKCYUVGYONJ-UHFFFAOYSA-N 0 0 383.856 5.636 50 0 GKAARN COc1ccccc1/N=c1\ssc2c1-c1cc(C)cc(C)c1NC2(C)C ZINC000001813766 212257016 /nfs/dbraw/zinc/25/70/16/212257016.db2.gz GOPJDSYHXOHMDO-XDOYNYLZSA-N 0 0 382.554 5.995 50 0 GKAARN Clc1ccc(CSc2nnc(SCc3ccccc3)s2)c(Cl)c1 ZINC000001821168 212256762 /nfs/dbraw/zinc/25/67/62/212256762.db2.gz XPZQGZBIYMLGNV-UHFFFAOYSA-N 0 0 399.393 6.430 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)Cc1ccccc1)C(C)(C)C[C@@]2(C)c1ccccc1 ZINC000001775577 212256324 /nfs/dbraw/zinc/25/63/24/212256324.db2.gz XRMJOHZEEGZKPJ-MHZLTWQESA-N 0 0 383.535 6.059 50 0 GKAARN C[C@H](Sc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)OC1CCCCC1 ZINC000001778545 212256172 /nfs/dbraw/zinc/25/61/72/212256172.db2.gz BAYPLAAPJSSORH-OLZOCXBDSA-N 0 0 390.574 5.173 50 0 GKAARN Cc1c(C)c(Oc2nc(-c3ccccc3[O-])nc3ccccc32)ccc1Cl ZINC000001765168 212256118 /nfs/dbraw/zinc/25/61/18/212256118.db2.gz GKOVEBGDWIKPFA-UHFFFAOYSA-N 0 0 376.843 6.065 50 0 GKAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000001769995 212255885 /nfs/dbraw/zinc/25/58/85/212255885.db2.gz VEVYTUBMWUGCER-MRXNPFEDSA-N 0 0 396.439 5.004 50 0 biogenic GKAARN CCCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000001769980 212255599 /nfs/dbraw/zinc/25/55/99/212255599.db2.gz AODJSKKVDWHUIY-IBGZPJMESA-N 0 0 396.439 5.004 50 0 GKAARN c1ccc(-c2sc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001687436 212254131 /nfs/dbraw/zinc/25/41/31/212254131.db2.gz MQFBWJOMLIHUDY-UHFFFAOYSA-N 0 0 388.535 8.416 50 0 GKAARN CC(C)(C)c1cc(C(=O)Nc2nnc(-c3ccccc3)s2)cc(C(C)(C)C)c1 ZINC000002053389 212262187 /nfs/dbraw/zinc/26/21/87/212262187.db2.gz HKYDLHUHBGMWAC-UHFFFAOYSA-N 0 0 393.556 6.052 50 0 GKAARN CCCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000002025589 212262241 /nfs/dbraw/zinc/26/22/41/212262241.db2.gz KCDNHUORKGDBFE-WQRHYEAKSA-N 0 0 390.266 5.517 50 0 GKAARN CCOC(=O)c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000002049086 212261900 /nfs/dbraw/zinc/26/19/00/212261900.db2.gz MRAJAGJSDSFDKP-HSZRJFAPSA-N 0 0 387.479 5.598 50 0 GKAARN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(C)c5ccccc45)ccc3o2)c1 ZINC000002050685 212262045 /nfs/dbraw/zinc/26/20/45/212262045.db2.gz MRWAUXWRLAFOLY-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc(SCc2ccccc2)n1 ZINC000002050022 212261113 /nfs/dbraw/zinc/26/11/13/212261113.db2.gz XJUTWHADIFAEQZ-UHFFFAOYSA-N 0 0 396.437 6.608 50 0 GKAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 ZINC000002050794 212261194 /nfs/dbraw/zinc/26/11/94/212261194.db2.gz OZDDFVOZUPURIG-UHFFFAOYSA-N 0 0 387.439 5.239 50 0 GKAARN 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CC(C)Oc1cccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)c1 ZINC000001073911 203881060 /nfs/dbraw/zinc/88/10/60/203881060.db2.gz QJTWNVQNEYDUDF-UHFFFAOYSA-N 0 0 386.451 5.212 50 0 GKAARN CCC(=O)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000001216642 203897559 /nfs/dbraw/zinc/89/75/59/203897559.db2.gz HREZKOQHVZMLSO-UHFFFAOYSA-N 0 0 379.641 5.259 50 0 GKAARN Cc1cc2nnc(SCC(=O)c3ccc4ccccc4c3)n2c2ccccc12 ZINC000001099226 203883489 /nfs/dbraw/zinc/88/34/89/203883489.db2.gz WLOUEMIAJSTIRO-UHFFFAOYSA-N 0 0 383.476 5.319 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCCC2 ZINC000001145425 203889021 /nfs/dbraw/zinc/88/90/21/203889021.db2.gz UJLDIYXWLYKSKM-UHFFFAOYSA-N 0 0 397.418 5.075 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000001156256 203889540 /nfs/dbraw/zinc/88/95/40/203889540.db2.gz YSTOTYYRIQALHB-XVNBXDOJSA-N 0 0 385.088 5.716 50 0 GKAARN Cc1cc(OCC(=O)Nc2ccccc2C(C)(C)C)cc(C)c1Br ZINC000001159209 203891368 /nfs/dbraw/zinc/89/13/68/203891368.db2.gz JTDQMUFVEBMQSK-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/02/35/34/204023534.db2.gz DJDHBLKJOAHWQU-HBKJEHTGSA-N 0 0 384.482 7.124 50 0 GKAARN Cc1ccc(C(C)C)c(OC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000004023839 204023588 /nfs/dbraw/zinc/02/35/88/204023588.db2.gz LAPQEOWHIFTJKA-UHFFFAOYSA-N 0 0 376.378 5.093 50 0 GKAARN CCCc1ccc(-c2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)cc2)c(F)c1 ZINC000004025073 204023633 /nfs/dbraw/zinc/02/36/33/204023633.db2.gz VFFGDZQCAMOQKI-UHFFFAOYSA-N 0 0 390.889 7.156 50 0 GKAARN Cc1c(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)nc2ncccn12 ZINC000004033227 204023880 /nfs/dbraw/zinc/02/38/80/204023880.db2.gz VSACNLJUUUPINI-UHFFFAOYSA-N 0 0 377.835 5.002 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)cc1 ZINC000004034016 204024390 /nfs/dbraw/zinc/02/43/90/204024390.db2.gz CSPXPHRQMSVQKJ-UHFFFAOYSA-N 0 0 392.256 5.245 50 0 GKAARN O=[S@](CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000004040768 204025025 /nfs/dbraw/zinc/02/50/25/204025025.db2.gz DWHLEFDGYUBOQT-VWLOTQADSA-N 0 0 391.319 5.037 50 0 GKAARN 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/nfs/dbraw/zinc/02/66/81/204026681.db2.gz LMMPHBZHVRRFEI-UHFFFAOYSA-N 0 0 398.531 6.655 50 0 GKAARN Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCC4)cc1 ZINC000004115689 204027567 /nfs/dbraw/zinc/02/75/67/204027567.db2.gz GGMJXXZQAHTUGT-UHFFFAOYSA-N 0 0 399.519 5.595 50 0 GKAARN CC[C@@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(Cl)c1 ZINC000004106624 204027822 /nfs/dbraw/zinc/02/78/22/204027822.db2.gz KWQHEMKWNMSMOT-GFCCVEGCSA-N 0 0 383.904 5.411 50 0 GKAARN Cn1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c2ccccc21 ZINC000004107139 204028094 /nfs/dbraw/zinc/02/80/94/204028094.db2.gz WHXNQHWKACLIJK-ZUOKHONESA-N 0 0 393.556 5.245 50 0 GKAARN O=c1oc2ccccc2c2c1[C@H](c1ccncc1)c1c(ccc3ccccc31)N2 ZINC000004173610 204030826 /nfs/dbraw/zinc/03/08/26/204030826.db2.gz OTPDUIMBFVVOKJ-OAQYLSRUSA-N 0 0 376.415 5.578 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccc3c(c1)OCO3)c2NC(C)(C)CC(C)(C)C ZINC000004172736 204030887 /nfs/dbraw/zinc/03/08/87/204030887.db2.gz NMNZDQAKHJFHFL-UHFFFAOYSA-N 0 0 379.504 5.665 50 0 GKAARN COc1ccccc1-n1c(SCc2cc(C)ccc2C)nnc1-c1ccco1 ZINC000004185998 204031419 /nfs/dbraw/zinc/03/14/19/204031419.db2.gz LSUGRDJYADEUHK-UHFFFAOYSA-N 0 0 391.496 5.445 50 0 GKAARN C(=C/c1ccccc1)\C1=NN(c2ccc3ccccc3n2)[C@H](c2ccccc2)C1 ZINC000004181876 204031550 /nfs/dbraw/zinc/03/15/50/204031550.db2.gz BRJBHMDMQPJXDJ-AZBDZEDCSA-N 0 0 375.475 6.256 50 0 GKAARN Cc1ccccc1-c1nnc(SCc2cccc(Cl)c2)n1-c1ccccc1 ZINC000004184139 204031554 /nfs/dbraw/zinc/03/15/54/204031554.db2.gz RGMXISIZCDUMGV-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN O=C(NCCn1cc(SCc2ccccc2)c2ccccc21)c1cccs1 ZINC000004192528 204031794 /nfs/dbraw/zinc/03/17/94/204031794.db2.gz KLIHVGSECUSWTF-UHFFFAOYSA-N 0 0 392.549 5.425 50 0 GKAARN CCCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1 ZINC000004199566 204033071 /nfs/dbraw/zinc/03/30/71/204033071.db2.gz SGEUULSELLYRPX-UHFFFAOYSA-N 0 0 383.488 5.465 50 0 biogenic GKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2OC32CCC(C)CC2)cc1 ZINC000004282014 204035876 /nfs/dbraw/zinc/03/58/76/204035876.db2.gz 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COc1ccc(Nc2ncc(C(=O)Nc3cccc(OC)c3)c3ccccc23)cc1 ZINC000004734219 204071141 /nfs/dbraw/zinc/07/11/41/204071141.db2.gz HMAZSRNVNQIHKM-UHFFFAOYSA-N 0 0 399.450 5.248 50 0 GKAARN Cc1cccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000004733658 204071381 /nfs/dbraw/zinc/07/13/81/204071381.db2.gz CVIWCAOCBJXMCL-UHFFFAOYSA-N 0 0 397.887 5.539 50 0 aggregator GKAARN O=C1Nc2ccccc2Oc2cc(Oc3ccc(Br)cc3)ccc21 ZINC000004743482 204071754 /nfs/dbraw/zinc/07/17/54/204071754.db2.gz FWIRVLZCGGFOAK-UHFFFAOYSA-N 0 0 382.213 5.599 50 0 GKAARN COc1ccc([C@H]2CC(CCc3c[nH]c4ccccc34)=NN2c2ccccc2)cc1 ZINC000004927135 204091931 /nfs/dbraw/zinc/09/19/31/204091931.db2.gz LOCQSOJXBSDZKL-AREMUKBSSA-N 0 0 395.506 6.117 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1ccccc1 ZINC000004927897 204091948 /nfs/dbraw/zinc/09/19/48/204091948.db2.gz ZAIYWNCNXUQMKX-UHFFFAOYSA-N 0 0 385.492 5.475 50 0 GKAARN CCOc1c(Cl)cc(C(=O)Nc2cccc(O)c2)cc1OCc1ccccc1 ZINC000004741094 204072165 /nfs/dbraw/zinc/07/21/65/204072165.db2.gz 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50 0 GKAARN O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004854009 204082806 /nfs/dbraw/zinc/08/28/06/204082806.db2.gz NTZISPNLOMNNTA-REWPJTCUSA-N 0 0 388.854 5.093 50 0 GKAARN CCOC(=O)c1cccc(Nc2c3ccc(Cl)cc3nc3c2CCCC3)c1 ZINC000004924523 204092333 /nfs/dbraw/zinc/09/23/33/204092333.db2.gz GGUZYLZYRKLJEQ-UHFFFAOYSA-N 0 0 380.875 5.687 50 0 GKAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccccc2F)N1c1ccccc1 ZINC000004871047 204084477 /nfs/dbraw/zinc/08/44/77/204084477.db2.gz XHDRZZCKUOOVHC-QFIPXVFZSA-N 0 0 387.389 5.105 50 0 aggregator GKAARN Cc1ccnc(NC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)c1 ZINC000004923905 204092346 /nfs/dbraw/zinc/09/23/46/204092346.db2.gz FTGNBHMWXGVKBL-UHFFFAOYSA-N 0 0 397.931 5.201 50 0 GKAARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2SCC)cc1 ZINC000004882948 204085591 /nfs/dbraw/zinc/08/55/91/204085591.db2.gz JJSMWOHWURTHKN-AQTBWJFISA-N 0 0 386.904 5.236 50 0 GKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000004881686 204085759 /nfs/dbraw/zinc/08/57/59/204085759.db2.gz MOYXPDJUVWOEGW-CZUORRHYSA-N 0 0 384.932 5.925 50 0 GKAARN CCCCCCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccccc1 ZINC000004882810 204085768 /nfs/dbraw/zinc/08/57/68/204085768.db2.gz AGQUPVVPGAVYLR-FXBPSFAMSA-N 0 0 394.540 5.752 50 0 GKAARN COc1ccc([C@@H]2CC(CCc3c[nH]c4ccccc34)=NN2c2ccccc2)cc1 ZINC000004927132 204092443 /nfs/dbraw/zinc/09/24/43/204092443.db2.gz LOCQSOJXBSDZKL-SANMLTNESA-N 0 0 395.506 6.117 50 0 GKAARN CCc1ccccc1N(CC)C(=O)c1cc2cc3ccc(OC)cc3nc2s1 ZINC000004886413 204087126 /nfs/dbraw/zinc/08/71/26/204087126.db2.gz UGQSMKRLSVPDIU-UHFFFAOYSA-N 0 0 390.508 5.687 50 0 GKAARN CCCN(C(=O)c1cc2cc3ccc(C)cc3nc2s1)c1ccc(CC)cc1 ZINC000004886067 204087631 /nfs/dbraw/zinc/08/76/31/204087631.db2.gz DYEYMDLULWXJQG-UHFFFAOYSA-N 0 0 388.536 6.377 50 0 GKAARN CCOc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000004900028 204088013 /nfs/dbraw/zinc/08/80/13/204088013.db2.gz ZUKSTCXWXOHLSN-OAQYLSRUSA-N 0 0 378.859 5.510 50 0 GKAARN CCN(Cc1ccccc1)C(=O)c1cc2cc3ccc(OC)cc3nc2s1 ZINC000004900034 204088207 /nfs/dbraw/zinc/08/82/07/204088207.db2.gz FCOWDARRPQKKFM-UHFFFAOYSA-N 0 0 376.481 5.120 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)o1 ZINC000004899373 204088561 /nfs/dbraw/zinc/08/85/61/204088561.db2.gz CFRBFNLMASCJQN-FUBUYXNDSA-N 0 0 398.506 6.186 50 0 GKAARN CCOc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000004900007 204088916 /nfs/dbraw/zinc/08/89/16/204088916.db2.gz ZUKSTCXWXOHLSN-NRFANRHFSA-N 0 0 378.859 5.510 50 0 GKAARN Cc1cc(C)n2c(nc(-c3ccc(Cl)cc3)c2Nc2ccc(C(C)C)cc2)n1 ZINC000004903648 204089061 /nfs/dbraw/zinc/08/90/61/204089061.db2.gz OOVJTIRDBLDLAH-UHFFFAOYSA-N 0 0 390.918 6.534 50 0 GKAARN C[C@H]1CCCN(C(=O)CSc2c3ccc(Cl)cc3nc3c2CCCC3)C1 ZINC000004901455 204089131 /nfs/dbraw/zinc/08/91/31/204089131.db2.gz XHABMOLYNWHYSL-AWEZNQCLSA-N 0 0 388.964 5.118 50 0 GKAARN Cc1ccc(C)c(Nc2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)c1 ZINC000004910964 204089784 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/nfs/dbraw/zinc/19/16/36/204191636.db2.gz ZBGIJEKEYCXIFZ-UHFFFAOYSA-N 0 0 399.897 5.022 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(F)c2)cc1 ZINC000006693057 204191765 /nfs/dbraw/zinc/19/17/65/204191765.db2.gz YDPXBQHZXRDMBO-JOCHJYFZSA-N 0 0 391.490 5.562 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)C(C)(C)C)c2)cc1C ZINC000006704272 204192575 /nfs/dbraw/zinc/19/25/75/204192575.db2.gz IPHHRKSRQGRNDT-HXUWFJFHSA-N 0 0 382.529 5.067 50 0 GKAARN CCCCCNC(=O)C[C@@H](c1cn(CC)c2ccccc12)c1ccc(C)cc1 ZINC000006704767 204192814 /nfs/dbraw/zinc/19/28/14/204192814.db2.gz SLCJGVSQCVXCEU-JOCHJYFZSA-N 0 0 376.544 5.798 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1-c1cccc(F)c1 ZINC000006705973 204192901 /nfs/dbraw/zinc/19/29/01/204192901.db2.gz AHBHNRJSMZBVIQ-UHFFFAOYSA-N 0 0 398.409 5.095 50 0 GKAARN CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc21 ZINC000006711799 204193512 /nfs/dbraw/zinc/19/35/12/204193512.db2.gz PKXLPWYXKZGINO-UHFFFAOYSA-N 0 0 389.680 5.020 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 ZINC000006720703 204194229 /nfs/dbraw/zinc/19/42/29/204194229.db2.gz YBHJZOUZDMVGGO-UHFFFAOYSA-N 0 0 383.925 6.262 50 0 GKAARN CCn1cc([C@H](CC(=O)N2CCC(C)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000006712767 204194523 /nfs/dbraw/zinc/19/45/23/204194523.db2.gz HBLREWQKWTUOKZ-HSZRJFAPSA-N 0 0 388.555 5.750 50 0 GKAARN CCCCCNC(=O)C[C@@H](c1cn(CC)c2ccccc12)c1ccc(F)cc1 ZINC000006713688 204194528 /nfs/dbraw/zinc/19/45/28/204194528.db2.gz OGVAVFCWAZJPAR-OAQYLSRUSA-N 0 0 380.507 5.629 50 0 GKAARN Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000006721917 204194754 /nfs/dbraw/zinc/19/47/54/204194754.db2.gz JEIOFDBBSCRWJS-UHFFFAOYSA-N 0 0 399.708 7.167 50 0 GKAARN Cc1ccc([C@@H](CC(=O)N[C@@H](C)c2ccccc2)c2c[nH]c3ccccc32)c(C)c1 ZINC000006733702 204196457 /nfs/dbraw/zinc/19/64/57/204196457.db2.gz YHVUHOPMJJMZPR-GBXCKJPGSA-N 0 0 396.534 6.184 50 0 GKAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000006736177 204196654 /nfs/dbraw/zinc/19/66/54/204196654.db2.gz HEZBEQLCRJGTPM-QHCPKHFHSA-N 0 0 388.492 5.026 50 0 GKAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1-c1ccccc1 ZINC000006737019 204196747 /nfs/dbraw/zinc/19/67/47/204196747.db2.gz KOURZPXOGOXVDR-UHFFFAOYSA-N 0 0 397.478 5.454 50 0 GKAARN CCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cc(C)ccc2F)cc1 ZINC000006734139 204196783 /nfs/dbraw/zinc/19/67/83/204196783.db2.gz NEDACIRBZMBOGO-NRFANRHFSA-N 0 0 386.492 5.041 50 0 GKAARN COC(=O)c1c(F)c(F)c(Oc2ccc(Cl)cc2)c(F)c1N1CCCCC1 ZINC000006732608 204196927 /nfs/dbraw/zinc/19/69/27/204196927.db2.gz PFZJBFXSTMAJCZ-UHFFFAOYSA-N 0 0 399.796 5.327 50 0 GKAARN CCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 ZINC000006735250 204197433 /nfs/dbraw/zinc/19/74/33/204197433.db2.gz SWVHSYIOKLYJBP-JOCHJYFZSA-N 0 0 382.529 5.211 50 0 GKAARN CCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1 ZINC000006735219 204197485 /nfs/dbraw/zinc/19/74/85/204197485.db2.gz BRZAEPIRARTUOA-JOCHJYFZSA-N 0 0 382.529 5.327 50 0 GKAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000006734898 204197559 /nfs/dbraw/zinc/19/75/59/204197559.db2.gz OXDVVAYZWYHHKT-OAQYLSRUSA-N 0 0 394.521 5.087 50 0 GKAARN CCOc1ccc(-c2nc3c(c(SCC)n2)Cc2cccc(OC)c2O3)cc1 ZINC000006738942 204197907 /nfs/dbraw/zinc/19/79/07/204197907.db2.gz QDDLSHGUMGZXNP-UHFFFAOYSA-N 0 0 394.496 5.359 50 0 GKAARN CCOc1ccc(C2=Nc3cc(C(C)C)ccc3N=C(c3cccs3)N2)cc1 ZINC000006743739 204198703 /nfs/dbraw/zinc/19/87/03/204198703.db2.gz OSDNWKVBPNENNY-UHFFFAOYSA-N 0 0 389.524 6.221 50 0 GKAARN CC(C)c1ccc(OCC(=O)N(Cc2ccco2)Cc2cccc(F)c2)cc1 ZINC000006747608 204198858 /nfs/dbraw/zinc/19/88/58/204198858.db2.gz SYHMNVPLCLCOPD-UHFFFAOYSA-N 0 0 381.447 5.150 50 0 GKAARN Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)c3n2CCCCC3)cc1 ZINC000006749294 204199222 /nfs/dbraw/zinc/19/92/22/204199222.db2.gz BZBHGZATUPDSPE-UHFFFAOYSA-N 0 0 379.891 5.491 50 0 GKAARN Cc1c(C(=O)N2CCC(C)CC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006751366 204199576 /nfs/dbraw/zinc/19/95/76/204199576.db2.gz BLHJLCFARBOWJP-KRWDZBQOSA-N 0 0 397.515 5.132 50 0 biogenic GKAARN Cn1c2ccccc2nc1NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000006752529 204199813 /nfs/dbraw/zinc/19/98/13/204199813.db2.gz HVISPKODTRWTSI-UHFFFAOYSA-N 0 0 385.496 5.100 50 0 GKAARN Cc1sc(-n2cccc2)c([C@@H](C)NC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000006750450 204200150 /nfs/dbraw/zinc/20/01/50/204200150.db2.gz DWBKPLNUVRCKRO-CQSZACIVSA-N 0 0 387.936 6.000 50 0 GKAARN Clc1cc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc2c1OCO2 ZINC000006757346 204201435 /nfs/dbraw/zinc/20/14/35/204201435.db2.gz JWTIGUOYPIWXTI-IBGZPJMESA-N 0 0 399.924 6.488 50 0 GKAARN O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1Cc1ccc(Cl)cc1 ZINC000006768840 204201854 /nfs/dbraw/zinc/20/18/54/204201854.db2.gz SQFLYHVKZVYGJE-UHFFFAOYSA-N 0 0 395.289 5.378 50 0 GKAARN COc1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)CCCC2 ZINC000006768683 204202397 /nfs/dbraw/zinc/20/23/97/204202397.db2.gz XONIJXNRWLASKP-HNNXBMFYSA-N 0 0 395.528 5.309 50 0 GKAARN CCc1nnc(SCc2nc(-c3cccs3)oc2C)c2cc3occc3n21 ZINC000006894212 204221238 /nfs/dbraw/zinc/22/12/38/204221238.db2.gz PKXKNAWRDCOTMN-UHFFFAOYSA-N 0 0 396.497 5.355 50 0 GKAARN Cc1ccccc1C[NH2+]Cc1c2ccccc2n(Cc2ccccc2C)c1C(=O)[O-] ZINC000006899723 204222639 /nfs/dbraw/zinc/22/26/39/204222639.db2.gz VNPQDRWUSLBGPZ-UHFFFAOYSA-N 0 0 398.506 5.294 50 0 GKAARN Cc1cccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)c1 ZINC000006915019 204223771 /nfs/dbraw/zinc/22/37/71/204223771.db2.gz OQXOSGHMIGATPQ-HXUWFJFHSA-N 0 0 393.849 6.039 50 0 GKAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O ZINC000006918719 204224108 /nfs/dbraw/zinc/22/41/08/204224108.db2.gz WMNAJUBSKAYDOM-SCLBCKFNSA-N 0 0 397.931 5.278 50 0 GKAARN Cc1ccoc1C(=O)n1c(C(C)(C)C)cs/c1=N\c1ccc(C(C)(C)C)cc1 ZINC000006925296 204225701 /nfs/dbraw/zinc/22/57/01/204225701.db2.gz JNFGODGQVOQSPE-FLFQWRMESA-N 0 0 396.556 5.967 50 0 GKAARN CC[C@@H](C)c1ccc([C@@H](C)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000006953357 204228151 /nfs/dbraw/zinc/22/81/51/204228151.db2.gz BEVLOSIZMHUTQF-CHWSQXEVSA-N 0 0 381.372 6.555 50 0 GKAARN C[C@@H](COc1ccc(Oc2ccccc2)cc1)Oc1ccc(C(F)(F)F)cn1 ZINC000006996402 204229128 /nfs/dbraw/zinc/22/91/28/204229128.db2.gz BWYBZGDGHDIWGW-HNNXBMFYSA-N 0 0 389.373 5.739 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000007004107 204229498 /nfs/dbraw/zinc/22/94/98/204229498.db2.gz GDFLAOWKVVVPNF-UHFFFAOYSA-N 0 0 396.494 5.475 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)Nc3cccc(C)c3C)c12 ZINC000007003981 204229792 /nfs/dbraw/zinc/22/97/92/204229792.db2.gz QKCTVPBLGHTBDP-UHFFFAOYSA-N 0 0 384.483 5.215 50 0 GKAARN Cc1csc(/C(=C\c2cc(C)c(O)c(C)c2)c2nc3ccccc3n2C)n1 ZINC000007136408 204233755 /nfs/dbraw/zinc/23/37/55/204233755.db2.gz BOHMYJCNLOXGKU-BOPFTXTBSA-N 0 0 375.497 5.250 50 0 GKAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)n(C2CCCC2)c1C ZINC000007178870 204234912 /nfs/dbraw/zinc/23/49/12/204234912.db2.gz SZKSAPPVZYIBGG-INIZCTEOSA-N 0 0 383.561 5.223 50 0 GKAARN Cc1nc2ccc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)cc2s1 ZINC000007242047 204236514 /nfs/dbraw/zinc/23/65/14/204236514.db2.gz MREHLJPUEMACKI-SECBINFHSA-N 0 0 380.300 5.351 50 0 GKAARN Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)cc2s1 ZINC000007241967 204236822 /nfs/dbraw/zinc/23/68/22/204236822.db2.gz VAASHSOAOAFXBU-VIFPVBQESA-N 0 0 380.300 5.351 50 0 GKAARN Cn1c2ccccc2c([C@H]2CCC(=O)N2Cc2ccccc2)c1-c1ccccc1 ZINC000334163301 209178580 /nfs/dbraw/zinc/17/85/80/209178580.db2.gz NWVBWXRFHHSTLG-HSZRJFAPSA-N 0 0 380.491 5.709 50 0 GKAARN COc1ccc(Cl)cc1CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000007299114 204238458 /nfs/dbraw/zinc/23/84/58/204238458.db2.gz SNPVYGJCOMZJGU-UHFFFAOYSA-N 0 0 389.883 5.373 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(Br)c1 ZINC000007382053 204240425 /nfs/dbraw/zinc/24/04/25/204240425.db2.gz KYFCJRKIFLMOIK-UHFFFAOYSA-N 0 0 379.304 5.195 50 0 GKAARN O=C([O-])c1ccc(C[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000007524522 204243133 /nfs/dbraw/zinc/24/31/33/204243133.db2.gz IRIDFLTZFZSBKE-UHFFFAOYSA-N 0 0 376.239 5.241 50 0 GKAARN Cc1cc(C)c(NC(=O)CN(Cc2ccco2)Cc2cccs2)c(Cl)c1 ZINC000007581058 204243929 /nfs/dbraw/zinc/24/39/29/204243929.db2.gz SMIFEELSJHRGNQ-UHFFFAOYSA-N 0 0 388.920 5.252 50 0 GKAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3Nc2cccc(C)c2)cc1OC ZINC000007572460 204244108 /nfs/dbraw/zinc/24/41/08/204244108.db2.gz AMXUFPMAXHKBSH-UHFFFAOYSA-N 0 0 388.471 5.082 50 0 GKAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000007736309 204248451 /nfs/dbraw/zinc/24/84/51/204248451.db2.gz AXCFDBOIWNQXLH-ZEQRLZLVSA-N 0 0 396.494 5.312 50 0 GKAARN COc1ccc2oc(C(=O)N[C@H](c3cccs3)c3ccccc3)c(C)c2c1 ZINC000007739267 204249022 /nfs/dbraw/zinc/24/90/22/204249022.db2.gz GMGJIZCLIFSOCN-FQEVSTJZSA-N 0 0 377.465 5.331 50 0 GKAARN CCOc1ccc([C@H](C)Nc2nc3cc(C)nn3c3ccccc32)cc1OCC ZINC000007777098 204249709 /nfs/dbraw/zinc/24/97/09/204249709.db2.gz YPHXMTGPAYLKNR-INIZCTEOSA-N 0 0 390.487 5.161 50 0 GKAARN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3C)o2)c1 ZINC000007775961 204249906 /nfs/dbraw/zinc/24/99/06/204249906.db2.gz XWHSTMJGSZITBB-CYBMUJFWSA-N 0 0 387.892 5.126 50 0 GKAARN O=C(CSc1ccc(F)cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007771638 204250221 /nfs/dbraw/zinc/25/02/21/204250221.db2.gz OOAMHTDDMDDLKV-LJQANCHMSA-N 0 0 375.465 5.024 50 0 GKAARN O=C(NCc1ccccc1F)c1oc2ccccc2c1COc1ccccc1 ZINC000007777585 204250499 /nfs/dbraw/zinc/25/04/99/204250499.db2.gz TYSIXFUJCVCKRV-UHFFFAOYSA-N 0 0 375.399 5.081 50 0 GKAARN O=C(Nc1nc(-c2ccccn2)cs1)C1c2ccccc2Oc2ccccc21 ZINC000007804809 204251269 /nfs/dbraw/zinc/25/12/69/204251269.db2.gz LAOCNWGOLIIDRY-UHFFFAOYSA-N 0 0 385.448 5.081 50 0 GKAARN Cc1ccc(NC(=O)Cc2nc(-c3ccc(Br)s3)cs2)cc1 ZINC000007844299 204252146 /nfs/dbraw/zinc/25/21/46/204252146.db2.gz SMENREZVDNYOLB-UHFFFAOYSA-N 0 0 393.331 5.124 50 0 GKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1Cl ZINC000007844198 204252811 /nfs/dbraw/zinc/25/28/11/204252811.db2.gz IDHFZZHWZZBWFT-GFCCVEGCSA-N 0 0 375.950 5.772 50 0 GKAARN O=C(CSc1nc2ccccc2s1)N[C@H](c1cccs1)c1ccccc1 ZINC000007884010 204254284 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CC(C)c1ccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1 ZINC000008599061 204281115 /nfs/dbraw/zinc/28/11/15/204281115.db2.gz CQXLYTHRGIOSHF-UHFFFAOYSA-N 0 0 399.469 6.054 50 0 aggregator GKAARN CCOC(=O)c1ccc2c(c1)nc(COc1ccc(C(C)(C)C)cc1)n2CC ZINC000008653959 204281600 /nfs/dbraw/zinc/28/16/00/204281600.db2.gz WJUUQOKBVDYNAQ-UHFFFAOYSA-N 0 0 380.488 5.109 50 0 GKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccccc1F ZINC000008751422 204288201 /nfs/dbraw/zinc/28/82/01/204288201.db2.gz ZOIDLASHHIELKF-UHFFFAOYSA-N 0 0 393.245 5.037 50 0 GKAARN COc1ccccc1-c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000008769682 204290395 /nfs/dbraw/zinc/29/03/95/204290395.db2.gz WMLNLMNTIPDHAD-UHFFFAOYSA-N 0 0 395.271 5.165 50 0 GKAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000008830256 204291095 /nfs/dbraw/zinc/29/10/95/204291095.db2.gz PCWLUMZRHWTYSZ-JOCHJYFZSA-N 0 0 387.508 5.243 50 0 aggregator GKAARN CC(=O)Nc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000008843835 204291698 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GKAARN CCOc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048276926 205116955 /nfs/dbraw/zinc/11/69/55/205116955.db2.gz OBOGAQJMFCJHPY-JOCHJYFZSA-N 0 0 378.472 5.086 50 0 GKAARN CCc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc1 ZINC000049005472 205123588 /nfs/dbraw/zinc/12/35/88/205123588.db2.gz BKWXIWVCGJOFEB-UHFFFAOYSA-N 0 0 388.515 5.116 50 0 GKAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049004481 205123793 /nfs/dbraw/zinc/12/37/93/205123793.db2.gz OFIMFPHPJZNUPY-UHFFFAOYSA-N 0 0 395.768 5.141 50 0 GKAARN Cc1cc(C)cc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005215 205124248 /nfs/dbraw/zinc/12/42/48/205124248.db2.gz YMARNZMEHCMJIZ-GOSISDBHSA-N 0 0 388.515 5.313 50 0 GKAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCc3ccccc3F)cc(C)c12 ZINC000045995651 205101243 /nfs/dbraw/zinc/10/12/43/205101243.db2.gz GGJYGVUEAKHKLX-UHFFFAOYSA-N 0 0 395.865 5.717 50 0 GKAARN COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1O ZINC000046076493 205104473 /nfs/dbraw/zinc/10/44/73/205104473.db2.gz NZGCAFPNHCSCJT-CQSZACIVSA-N 0 0 385.872 5.257 50 0 GKAARN CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076662 205104600 /nfs/dbraw/zinc/10/46/00/205104600.db2.gz HDBALGAYKXUDSF-KRWDZBQOSA-N 0 0 381.472 5.816 50 0 GKAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)c1 ZINC000046076976 205105343 /nfs/dbraw/zinc/10/53/43/205105343.db2.gz DSFXDFQZCKYQEG-MRXNPFEDSA-N 0 0 383.444 5.046 50 0 GKAARN COCc1c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)sc2cccc(F)c21 ZINC000053281331 205135068 /nfs/dbraw/zinc/13/50/68/205135068.db2.gz XDJUKHBRCPGMFZ-UHFFFAOYSA-N 0 0 399.274 5.328 50 0 GKAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(C)s2)C3)c1 ZINC000055154256 205142716 /nfs/dbraw/zinc/14/27/16/205142716.db2.gz LBDHRLNOVFNFEH-UHFFFAOYSA-N 0 0 395.524 5.135 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412511 205156607 /nfs/dbraw/zinc/15/66/07/205156607.db2.gz PVYWQHNKDMMSKS-UHFFFAOYSA-N 0 0 389.842 5.775 50 0 GKAARN CC(C)N(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000057435498 205156927 /nfs/dbraw/zinc/15/69/27/205156927.db2.gz DMXWEVDTLSSRAE-UHFFFAOYSA-N 0 0 389.524 5.062 50 0 GKAARN C[C@H](N[C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000057473805 205158474 /nfs/dbraw/zinc/15/84/74/205158474.db2.gz MXCVAGBSYDQSQF-ORAYPTAESA-N 0 0 388.895 5.247 50 0 GKAARN CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000051329966 205131289 /nfs/dbraw/zinc/13/12/89/205131289.db2.gz SDMNMBGUNKHZQI-OUXPZVHUSA-N 0 0 382.507 6.290 50 0 GKAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCCCCC1 ZINC000063871457 205187441 /nfs/dbraw/zinc/18/74/41/205187441.db2.gz QTQRBODQHHQCQS-UHFFFAOYSA-N 0 0 376.504 5.004 50 0 GKAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ncccc1OC(F)F ZINC000057696813 205160999 /nfs/dbraw/zinc/16/09/99/205160999.db2.gz DAQIRVJEHNBYCS-UHFFFAOYSA-N 0 0 395.818 5.021 50 0 GKAARN C[C@@H](N[C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl ZINC000057644975 205161431 /nfs/dbraw/zinc/16/14/31/205161431.db2.gz RRQDSXYZJNESQP-BFUOFWGJSA-N 0 0 388.895 5.247 50 0 GKAARN C[C@@H](N[C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl ZINC000057644967 205161682 /nfs/dbraw/zinc/16/16/82/205161682.db2.gz RRQDSXYZJNESQP-YJYMSZOUSA-N 0 0 388.895 5.247 50 0 GKAARN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000058098591 205164250 /nfs/dbraw/zinc/16/42/50/205164250.db2.gz VEFVGPJOWOVNRX-QHCPKHFHSA-N 0 0 395.955 5.522 50 0 GKAARN Cc1ccc(NC(=S)N2CCCN(Cc3ccccc3Cl)C2)c(Cl)c1 ZINC000058096035 205164762 /nfs/dbraw/zinc/16/47/62/205164762.db2.gz AXUDOEXAGFEEGB-UHFFFAOYSA-N 0 0 394.371 5.164 50 0 GKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1Cl)CO3 ZINC000058088610 205164778 /nfs/dbraw/zinc/16/47/78/205164778.db2.gz RJQDDGPAKMQNAZ-UHFFFAOYSA-N 0 0 383.875 5.059 50 0 biogenic GKAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1Sc1nncs1 ZINC000058163413 205166008 /nfs/dbraw/zinc/16/60/08/205166008.db2.gz OUPGHOAURNQVEO-UHFFFAOYSA-N 0 0 396.324 5.177 50 0 GKAARN CC(=O)c1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)cc1 ZINC000058202758 205169493 /nfs/dbraw/zinc/16/94/93/205169493.db2.gz WYHDQWPBEZZDRK-MRXNPFEDSA-N 0 0 398.528 5.000 50 0 GKAARN O=C(c1ccc(Oc2ccccc2)cc1)N(Cc1ccccn1)c1cccnc1 ZINC000058244864 205169894 /nfs/dbraw/zinc/16/98/94/205169894.db2.gz BZUNWRMMTHBVKK-UHFFFAOYSA-N 0 0 381.435 5.116 50 0 GKAARN COCc1cccc(C(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)c1 ZINC000058316334 205172437 /nfs/dbraw/zinc/17/24/37/205172437.db2.gz OSQIQVFPDUYUKR-UHFFFAOYSA-N 0 0 384.888 5.285 50 0 GKAARN O=C(CCCc1nc2ccccc2s1)N(Cc1ccsc1)c1ccccc1 ZINC000058300085 205172576 /nfs/dbraw/zinc/17/25/76/205172576.db2.gz JIAYTIBNYNLFTC-UHFFFAOYSA-N 0 0 392.549 5.914 50 0 GKAARN Cc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 ZINC000058392089 205174609 /nfs/dbraw/zinc/17/46/09/205174609.db2.gz OGWQUWNKRYQHNA-SECBINFHSA-N 0 0 381.284 5.318 50 0 GKAARN O=C(Nc1cccc(C2SCCCS2)c1)c1cnc(-c2ccccc2)nc1 ZINC000058426891 205174851 /nfs/dbraw/zinc/17/48/51/205174851.db2.gz HNJZLIVHYUANRL-UHFFFAOYSA-N 0 0 393.537 5.265 50 0 GKAARN CC(C)(C)OC(=O)Nc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1F ZINC000059256659 205178801 /nfs/dbraw/zinc/17/88/01/205178801.db2.gz BOUAPKPRZFKFNO-UHFFFAOYSA-N 0 0 398.356 5.444 50 0 GKAARN COc1ccccc1[C@H]1CCCN1Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000014973531 205179567 /nfs/dbraw/zinc/17/95/67/205179567.db2.gz BOVBNUFWALFQKT-HXUWFJFHSA-N 0 0 384.426 5.274 50 0 GKAARN Fc1ccc(C(Br)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000063926149 205188571 /nfs/dbraw/zinc/18/85/71/205188571.db2.gz DYMCGODRYMABQY-UHFFFAOYSA-N 0 0 377.203 5.791 50 0 GKAARN Cc1cccc(-c2csc(C(=O)Nc3ccc(C)c(C)c3)c2-n2cccc2)c1 ZINC000064872255 205199714 /nfs/dbraw/zinc/19/97/14/205199714.db2.gz JDLRUYDOYVBGQU-UHFFFAOYSA-N 0 0 386.520 6.383 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)c(Cl)c1 ZINC000064919511 205200449 /nfs/dbraw/zinc/20/04/49/205200449.db2.gz VBGYBHFWLUELOP-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN O=C(NCCC1=CCCCC1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064956026 205201663 /nfs/dbraw/zinc/20/16/63/205201663.db2.gz MKZDVRLQJCTYDQ-UHFFFAOYSA-N 0 0 393.918 5.358 50 0 GKAARN CC(C)(C)Nc1nc(-c2nnc(-c3cccc(Cl)c3)o2)nc2ccccc21 ZINC000064969978 205203238 /nfs/dbraw/zinc/20/32/38/205203238.db2.gz UWQNUZVICQTMOJ-UHFFFAOYSA-N 0 0 379.851 5.211 50 0 GKAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000064984156 205204907 /nfs/dbraw/zinc/20/49/07/205204907.db2.gz DEUFETTVJVFBQE-QHCPKHFHSA-N 0 0 383.557 5.180 50 0 GKAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4sccc4C)n3)cc2)cc1 ZINC000065005272 205206035 /nfs/dbraw/zinc/20/60/35/205206035.db2.gz MUCZKMZDHQXHHW-UHFFFAOYSA-N 0 0 391.452 5.524 50 0 GKAARN CCc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000065029679 205206944 /nfs/dbraw/zinc/20/69/44/205206944.db2.gz KPVNKFQKWRCIQZ-UHFFFAOYSA-N 0 0 378.451 5.181 50 0 GKAARN Cc1ccccc1Cn1nnc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21 ZINC000065030247 205206961 /nfs/dbraw/zinc/20/69/61/205206961.db2.gz IUTBJLWFLZBZID-UHFFFAOYSA-N 0 0 390.874 5.002 50 0 GKAARN CCOc1c2cc(NC(=O)Nc3ccccc3C)ccc2sc1C(=O)OC ZINC000065022916 205207008 /nfs/dbraw/zinc/20/70/08/205207008.db2.gz XBJQSTSQRDRDIM-UHFFFAOYSA-N 0 0 384.457 5.039 50 0 GKAARN Cc1ccc(Cn2nnc3cc(C(=O)Nc4cc(Cl)ccc4C)ccc32)cc1 ZINC000065030463 205207996 /nfs/dbraw/zinc/20/79/96/205207996.db2.gz VHCSBOVBYREXGZ-UHFFFAOYSA-N 0 0 390.874 5.002 50 0 GKAARN O=C(Nc1ccccc1)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063205 205209865 /nfs/dbraw/zinc/20/98/65/205209865.db2.gz ITRRUBALLFAGFX-UHFFFAOYSA-N 0 0 385.398 5.327 50 0 GKAARN CCc1ccccc1Nc1c(C(=O)N2CCC(C)CC2)cnc2nc(C)ccc21 ZINC000065114659 205210313 /nfs/dbraw/zinc/21/03/13/205210313.db2.gz PKERPTSLBZKULZ-UHFFFAOYSA-N 0 0 388.515 5.116 50 0 GKAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1Cl ZINC000065114689 205210810 /nfs/dbraw/zinc/21/08/10/205210810.db2.gz BBWLWEJNUFCDDD-UHFFFAOYSA-N 0 0 382.895 5.126 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(C)c(Cl)c2)n1 ZINC000065114403 205211185 /nfs/dbraw/zinc/21/11/85/205211185.db2.gz RBCCGDFGTKKXMJ-UHFFFAOYSA-N 0 0 394.906 5.270 50 0 GKAARN CSc1ccc(Cl)c(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)c1 ZINC000065137191 205212923 /nfs/dbraw/zinc/21/29/23/205212923.db2.gz BBPVZGJNLNROEU-UHFFFAOYSA-N 0 0 382.876 5.179 50 0 GKAARN CCc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154068 205213921 /nfs/dbraw/zinc/21/39/21/205213921.db2.gz KHAOZQMYLUMHFD-UHFFFAOYSA-N 0 0 398.441 5.159 50 0 GKAARN CCSc1ccc(-c2cccc(NC(=O)Nc3cc(F)cc(F)c3)c2)nn1 ZINC000065185966 205217238 /nfs/dbraw/zinc/21/72/38/205217238.db2.gz REDFRCVFFDXUGI-UHFFFAOYSA-N 0 0 386.427 5.178 50 0 GKAARN CCOc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(C(C)C)c2)s1 ZINC000065184665 205215542 /nfs/dbraw/zinc/21/55/42/205215542.db2.gz UVYRENVEQROLGR-UHFFFAOYSA-N 0 0 395.528 5.970 50 0 GKAARN Cc1nc(Nc2cccc(C)c2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000065184630 205216359 /nfs/dbraw/zinc/21/63/59/205216359.db2.gz RYABBAVKRXLRKX-UHFFFAOYSA-N 0 0 375.856 5.548 50 0 GKAARN O=C(NCc1ccccc1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472685 205190272 /nfs/dbraw/zinc/19/02/72/205190272.db2.gz BSHQOYQGEJJAPB-UHFFFAOYSA-N 0 0 376.456 5.275 50 0 GKAARN COc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(Cl)cc3)c2c1 ZINC000064473993 205191071 /nfs/dbraw/zinc/19/10/71/205191071.db2.gz YAGFXZXBTKELIW-UHFFFAOYSA-N 0 0 395.890 5.267 50 0 GKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)c2cccc(C(C)C)c2)o1 ZINC000064516947 205191089 /nfs/dbraw/zinc/19/10/89/205191089.db2.gz CLHFSRRNNVPCQJ-UHFFFAOYSA-N 0 0 388.471 5.460 50 0 GKAARN COc1ccc(NC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc1 ZINC000064578556 205191193 /nfs/dbraw/zinc/19/11/93/205191193.db2.gz NJSVPKWKZCWFCV-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(C)cc(C)c2)CC3)cc1 ZINC000064659995 205191555 /nfs/dbraw/zinc/19/15/55/205191555.db2.gz FZNNLZSZCGPRGF-UHFFFAOYSA-N 0 0 377.513 5.326 50 0 GKAARN CCCc1nc(-c2ccccc2)oc1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000064612495 205191979 /nfs/dbraw/zinc/19/19/79/205191979.db2.gz OMGONIHCTOKJRI-UHFFFAOYSA-N 0 0 384.863 5.137 50 0 GKAARN Fc1ccc(OCc2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)cc1 ZINC000064677067 205193180 /nfs/dbraw/zinc/19/31/80/205193180.db2.gz BZFPNGBCUNQLQH-UHFFFAOYSA-N 0 0 393.443 5.456 50 0 GKAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)c1C ZINC000064747683 205193497 /nfs/dbraw/zinc/19/34/97/205193497.db2.gz UBEUCQJUIWTJNH-SFHVURJKSA-N 0 0 398.413 5.001 50 0 GKAARN COc1c2cc(F)ccc2sc1C(=O)Nc1ccc(Br)cc1F ZINC000064756423 205194353 /nfs/dbraw/zinc/19/43/53/205194353.db2.gz GWAJETQOUZDCBH-UHFFFAOYSA-N 0 0 398.228 5.203 50 0 GKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(C)c(F)c1 ZINC000064820173 205196231 /nfs/dbraw/zinc/19/62/31/205196231.db2.gz KEFXMDILZSNZIF-UHFFFAOYSA-N 0 0 395.253 5.174 50 0 GKAARN CC(C)Oc1ccc(CNc2ncnc3c(-c4ccc(Cl)cc4)noc32)cc1 ZINC000064835129 205196663 /nfs/dbraw/zinc/19/66/63/205196663.db2.gz VGDVPTXAPCWPNG-UHFFFAOYSA-N 0 0 394.862 5.338 50 0 GKAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000064820144 205196674 /nfs/dbraw/zinc/19/66/74/205196674.db2.gz SAVQSXDDJBREHC-UHFFFAOYSA-N 0 0 391.290 5.343 50 0 GKAARN Cc1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847780 205198332 /nfs/dbraw/zinc/19/83/32/205198332.db2.gz QVGRRCCYYYLOTL-MRXNPFEDSA-N 0 0 399.922 5.167 50 0 GKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1Cl ZINC000067296381 205245337 /nfs/dbraw/zinc/24/53/37/205245337.db2.gz WQTYFTMWNOCIHZ-LVWGJNHUSA-N 0 0 389.842 5.274 50 0 GKAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)c(Cl)c1 ZINC000067296378 205245348 /nfs/dbraw/zinc/24/53/48/205245348.db2.gz YQLLDXXPNDQORO-LVWGJNHUSA-N 0 0 389.842 5.274 50 0 GKAARN COCCCNc1c(-c2ccc(O)cc2)nc2sc3cc(Cl)ccc3n21 ZINC000065319396 205229551 /nfs/dbraw/zinc/22/95/51/205229551.db2.gz HSXGOWUVLZWRQZ-UHFFFAOYSA-N 0 0 387.892 5.023 50 0 GKAARN Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)n1 ZINC000065320612 205230023 /nfs/dbraw/zinc/23/00/23/205230023.db2.gz UOOXWKXTAVCLDN-KRWDZBQOSA-N 0 0 382.851 5.067 50 0 GKAARN COc1c(F)cc(-c2c(-c3ccccc3)ncn2Cc2ccccn2)cc1Cl ZINC000065381144 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Clc1ccc(OCc2nc3ccccc3n2CCCc2ccccc2)cc1 ZINC000006995535 211585288 /nfs/dbraw/zinc/58/52/88/211585288.db2.gz PSSOHWVSBQGUHP-UHFFFAOYSA-N 0 0 376.887 5.902 50 0 GKAARN Cc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 ZINC000007238970 211584879 /nfs/dbraw/zinc/58/48/79/211584879.db2.gz TYOAEYZVRCUMMY-UHFFFAOYSA-N 0 0 384.529 6.803 50 0 GKAARN C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000007264997 211588701 /nfs/dbraw/zinc/58/87/01/211588701.db2.gz ZGCUBPZGLLMXEU-JTQLQIEISA-N 0 0 380.441 5.017 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccncc1 ZINC000245295353 206281673 /nfs/dbraw/zinc/28/16/73/206281673.db2.gz DFAQFCNSQFINIH-SMNBEONWSA-N 0 0 387.460 5.154 50 0 GKAARN COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2C)cc1 ZINC000006657521 211578247 /nfs/dbraw/zinc/57/82/47/211578247.db2.gz QHXREHZCCCLBIC-UHFFFAOYSA-N 0 0 380.451 5.102 50 0 GKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000005904453 211573387 /nfs/dbraw/zinc/57/33/87/211573387.db2.gz 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211571069 /nfs/dbraw/zinc/57/10/69/211571069.db2.gz CTBPCRRPLCAXBP-PGBBXINNSA-N 0 0 382.331 5.093 50 0 GKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253498267 206284449 /nfs/dbraw/zinc/28/44/49/206284449.db2.gz HVYWMOMLDIMFJA-RFHASLCFSA-N 0 0 386.664 7.389 50 0 GKAARN CCOP(=O)(OCC)C1(NC(=O)Nc2c(C)cc(C)cc2C)CCCCC1 ZINC000005446544 211567422 /nfs/dbraw/zinc/56/74/22/211567422.db2.gz LOVFXYKPCGAMBJ-UHFFFAOYSA-N 0 0 396.468 5.660 50 0 GKAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccc(Cl)c2)CSC3)c1 ZINC000004274428 211541122 /nfs/dbraw/zinc/54/11/22/211541122.db2.gz ROQLELYWVTZMJS-UHFFFAOYSA-N 0 0 383.904 5.142 50 0 GKAARN O=C1C[C@@H](c2ccc(O)cc2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000263588763 206289747 /nfs/dbraw/zinc/28/97/47/206289747.db2.gz YCISZHMDMKGNBR-IBGZPJMESA-N 0 0 386.426 5.008 50 0 GKAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000004570489 211547009 /nfs/dbraw/zinc/54/70/09/211547009.db2.gz UHCKMLZAQUQZJX-UHFFFAOYSA-N 0 0 381.453 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/nfs/dbraw/zinc/29/15/97/206291597.db2.gz XSPRFWWUXZXJQD-UHFFFAOYSA-N 0 0 386.875 6.139 50 0 GKAARN COc1ccc(-c2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 ZINC000002367793 206291708 /nfs/dbraw/zinc/29/17/08/206291708.db2.gz SRGXLIJKTOFSES-UHFFFAOYSA-N 0 0 376.383 5.187 50 0 GKAARN Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000002642467 211517017 /nfs/dbraw/zinc/51/70/17/211517017.db2.gz MKHUVTUQPJOAFO-UHFFFAOYSA-N 0 0 389.546 5.087 50 0 GKAARN CCOC(=O)c1c2cc(OCc3ccccc3C)ccc2oc1-c1ccccc1 ZINC000001797725 206291809 /nfs/dbraw/zinc/29/18/09/206291809.db2.gz LSYCLEHTYZCLTK-UHFFFAOYSA-N 0 0 386.447 6.164 50 0 GKAARN CCc1cc2c(cc1OCc1ccc(OC)cc1)oc(=O)cc2-c1ccccc1 ZINC000002126287 206291939 /nfs/dbraw/zinc/29/19/39/206291939.db2.gz QDPJABCDTUYAGF-UHFFFAOYSA-N 0 0 386.447 5.610 50 0 biogenic GKAARN COc1ccc(-c2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001463865 206291969 /nfs/dbraw/zinc/29/19/69/206291969.db2.gz QDGHTRXMVNLMKT-UHFFFAOYSA-N 0 0 390.410 5.495 50 0 GKAARN O=C(Nc1ccccc1)[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000002643645 211515695 /nfs/dbraw/zinc/51/56/95/211515695.db2.gz ALDIUEHGJJKKAP-SFHVURJKSA-N 0 0 398.289 5.674 50 0 GKAARN CC(=O)N(CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccco1 ZINC000004029982 211527119 /nfs/dbraw/zinc/52/71/19/211527119.db2.gz JAZNZAFCHUHFCY-VXKWHMMOSA-N 0 0 383.532 5.082 50 0 biogenic GKAARN COc1ccc(-c2coc3cc4oc(=O)cc(-c5ccc(OC)cc5)c4cc32)cc1 ZINC000001155584 206291150 /nfs/dbraw/zinc/29/11/50/206291150.db2.gz TZAGYKCHXNIQNM-UHFFFAOYSA-N 0 0 398.414 5.890 50 0 biogenic GKAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)n1 ZINC000003333632 211521638 /nfs/dbraw/zinc/52/16/38/211521638.db2.gz USHYFOSOWNAFCQ-UHFFFAOYSA-N 0 0 393.796 5.414 50 0 GKAARN CC(C)c1ccc([C@@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1 ZINC000002400723 206292181 /nfs/dbraw/zinc/29/21/81/206292181.db2.gz TYIJSHDAHBAIKY-QFIPXVFZSA-N 0 0 397.522 5.075 50 0 biogenic GKAARN CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cccs3)cc2o1 ZINC000009660298 206295594 /nfs/dbraw/zinc/29/55/94/206295594.db2.gz HIXZEMQEBBXUNQ-UHFFFAOYSA-N 0 0 391.448 5.173 50 0 GKAARN CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccncc4)ccc3o2)cc1 ZINC000017112923 206296253 /nfs/dbraw/zinc/29/62/53/206296253.db2.gz MNQVKYFKCSUBAN-UHFFFAOYSA-N 0 0 398.462 5.405 50 0 GKAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)C4CCCCC4)cc3c2C)cc1 ZINC000015729465 206296460 /nfs/dbraw/zinc/29/64/60/206296460.db2.gz LEJPDMCGLMTPAM-UHFFFAOYSA-N 0 0 391.467 5.500 50 0 GKAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2o1 ZINC000009660101 206294957 /nfs/dbraw/zinc/29/49/57/206294957.db2.gz CMQOOLXQBSEHHG-UHFFFAOYSA-N 0 0 386.407 5.113 50 0 GKAARN CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCC=C(C)C)cc1O ZINC000008996407 206294997 /nfs/dbraw/zinc/29/49/97/206294997.db2.gz LMSKISNRTILJQX-UHFFFAOYSA-N 0 0 380.444 5.318 50 0 GKAARN Cc1oc2c(ccc3c2CN(c2ccccc2F)CO3)c(=O)c1-c1ccccc1 ZINC000009422898 206295191 /nfs/dbraw/zinc/29/51/91/206295191.db2.gz XKCQYAUPBYGESN-UHFFFAOYSA-N 0 0 387.410 5.264 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3cccc(C)c3C)c2c1 ZINC000015880487 206297288 /nfs/dbraw/zinc/29/72/88/206297288.db2.gz FCDUALIAGIWZDZ-UHFFFAOYSA-N 0 0 385.463 6.368 50 0 GKAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4C)ccc3c2C)cc1 ZINC000015729359 206297325 /nfs/dbraw/zinc/29/73/25/206297325.db2.gz ZRKPWXCHBRBKIR-UHFFFAOYSA-N 0 0 399.446 5.542 50 0 GKAARN CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4C)cc3o2)cc1 ZINC000100650800 206304060 /nfs/dbraw/zinc/30/40/60/206304060.db2.gz UHZVYJKITARCON-UHFFFAOYSA-N 0 0 399.446 5.419 50 0 GKAARN CC[C@H](C)Sc1ccc(NC(=O)/C=C\c2cscn2)c(C(F)(F)F)c1 ZINC000096035629 206300998 /nfs/dbraw/zinc/30/09/98/206300998.db2.gz XTBCIYVIWQLYDK-IBHLPDHGSA-N 0 0 386.464 5.704 50 0 GKAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C1/C(=O)Nc2cc(Cl)ccc21 ZINC000096662900 206301507 /nfs/dbraw/zinc/30/15/07/206301507.db2.gz POKQVVMQDBPZHL-RGVLZGJSSA-N 0 0 377.875 5.003 50 0 GKAARN O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1csc(-c2ccccc2)n1 ZINC000096759142 206302636 /nfs/dbraw/zinc/30/26/36/206302636.db2.gz 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O=c1c2ccc(OCCCc3ccccc3)cc2occ1-c1ccc(Cl)cc1 ZINC000001915230 206394081 /nfs/dbraw/zinc/39/40/81/206394081.db2.gz YJZMFCCVFSNNCJ-UHFFFAOYSA-N 0 0 390.866 6.125 50 0 biogenic GKAARN Cc1ccc2c(c1)N(C(=O)Cc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002052736 206395477 /nfs/dbraw/zinc/39/54/77/206395477.db2.gz ZLMFKILOCCZXTK-UHFFFAOYSA-N 0 0 397.590 6.339 50 0 GKAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000002023682 206395606 /nfs/dbraw/zinc/39/56/06/206395606.db2.gz APYAPWQDQCIPGR-UHFFFAOYSA-N 0 0 384.504 6.346 50 0 GKAARN CCCCCc1ccc(OC(=O)c2ccc(C3CCC(CCC)CC3)cc2)cc1 ZINC000002023030 206395633 /nfs/dbraw/zinc/39/56/33/206395633.db2.gz IWQWRFCCDBDLGY-UHFFFAOYSA-N 0 0 392.583 7.712 50 0 biogenic GKAARN CCn1c2ccccc2c2cc(NC(=O)Cc3cccc4ccccc43)ccc21 ZINC000002051803 206395734 /nfs/dbraw/zinc/39/57/34/206395734.db2.gz NHPYYBJKHANMDR-UHFFFAOYSA-N 0 0 378.475 6.149 50 0 GKAARN CCCCCCOc1ccc(OC(=O)c2cncc(Br)c2)cc1 ZINC000002030577 206395761 /nfs/dbraw/zinc/39/57/61/206395761.db2.gz 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ZINC000002059641 206396853 /nfs/dbraw/zinc/39/68/53/206396853.db2.gz YHUXOIJCAHODSC-IBGZPJMESA-N 0 0 387.241 5.904 50 0 GKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002069640 206396988 /nfs/dbraw/zinc/39/69/88/206396988.db2.gz UAJHVTKHSSGJJC-CYBMUJFWSA-N 0 0 383.841 6.300 50 0 GKAARN Cc1cccc2c1N(C(=O)c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002058114 206397198 /nfs/dbraw/zinc/39/71/98/206397198.db2.gz HLDVNDNTLYNVLU-UHFFFAOYSA-N 0 0 383.563 6.410 50 0 GKAARN O=C(CCCc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000002073556 206397442 /nfs/dbraw/zinc/39/74/42/206397442.db2.gz MWDXSPMGLDNSDA-UHFFFAOYSA-N 0 0 392.886 5.554 50 0 GKAARN CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000002060115 206397493 /nfs/dbraw/zinc/39/74/93/206397493.db2.gz CFCWMPVJSJZUKG-UHFFFAOYSA-N 0 0 390.936 5.517 50 0 GKAARN Cc1ccc2c(c1)-c1c(=S)n(-c3cccc(Cl)c3)sc1C(C)(C)N2C ZINC000002055932 206397573 /nfs/dbraw/zinc/39/75/73/206397573.db2.gz PTMBHGLSOGWDNW-UHFFFAOYSA-N 0 0 386.973 6.582 50 0 GKAARN Cc1ccccc1C(=O)N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000002054251 206397577 /nfs/dbraw/zinc/39/75/77/206397577.db2.gz ZEJUSDDJJYMSMS-HNNXBMFYSA-N 0 0 392.113 5.187 50 0 GKAARN Cc1cccc(-n2sc3c(c2=S)-c2cc(Cl)ccc2N(C)C3(C)C)c1 ZINC000002057194 206397681 /nfs/dbraw/zinc/39/76/81/206397681.db2.gz XUJXHYHTTFWPKA-UHFFFAOYSA-N 0 0 386.973 6.582 50 0 GKAARN CCCCOc1ccc2c(c1)oc(C)c(Oc1ccc3c(c1)OCCCO3)c2=O ZINC000002099901 206397940 /nfs/dbraw/zinc/39/79/40/206397940.db2.gz HVRHFRFEPHZWDC-UHFFFAOYSA-N 0 0 396.439 5.234 50 0 biogenic GKAARN COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 ZINC000002082057 206397954 /nfs/dbraw/zinc/39/79/54/206397954.db2.gz XBUOQBMZJIBPIY-UHFFFAOYSA-N 0 0 398.311 5.363 50 0 GKAARN Cc1cc(C)n(C(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)n1 ZINC000002089001 206398163 /nfs/dbraw/zinc/39/81/63/206398163.db2.gz MKKLELHPQYEBAW-UHFFFAOYSA-N 0 0 383.495 5.701 50 0 GKAARN CCOC(=O)c1ccc(Nc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000002087890 206398306 /nfs/dbraw/zinc/39/83/06/206398306.db2.gz PXXXYEWWGRAIKO-UHFFFAOYSA-N 0 0 375.453 5.279 50 0 GKAARN Cc1ccc(-c2nc(-c3ccc4ncccc4c3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000002086784 206398317 /nfs/dbraw/zinc/39/83/17/206398317.db2.gz IVTBCEFZNIZMID-UHFFFAOYSA-N 0 0 375.475 6.576 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)cc1 ZINC000002081800 206398657 /nfs/dbraw/zinc/39/86/57/206398657.db2.gz CQBZPWQZMDRCHQ-UHFFFAOYSA-N 0 0 394.518 6.840 50 0 GKAARN Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000002079814 206398744 /nfs/dbraw/zinc/39/87/44/206398744.db2.gz ZVACPKAHWSUIDR-UHFFFAOYSA-N 0 0 386.882 6.424 50 0 GKAARN O=C(Nc1cccc(F)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002082464 206398759 /nfs/dbraw/zinc/39/87/59/206398759.db2.gz YJSYRLPNVMVXEV-UHFFFAOYSA-N 0 0 376.818 5.947 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)c(C)c1 ZINC000002081823 206398836 /nfs/dbraw/zinc/39/88/36/206398836.db2.gz KXLSJFXTHCWTJA-UHFFFAOYSA-N 0 0 380.491 6.388 50 0 GKAARN CCOc1cccc2cc(C(=O)N[C@@H](C)c3ccc([C@H](C)CC)cc3)c(=O)oc21 ZINC000002111709 206399292 /nfs/dbraw/zinc/39/92/92/206399292.db2.gz YYPUISLFWKMWIS-CVEARBPZSA-N 0 0 393.483 5.196 50 0 GKAARN Cc1ccc(OCC(=O)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 ZINC000002134398 206399329 /nfs/dbraw/zinc/39/93/29/206399329.db2.gz DPUIGXLVVBUYOS-UHFFFAOYSA-N 0 0 397.268 5.409 50 0 GKAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CCCCC1 ZINC000002105624 206399552 /nfs/dbraw/zinc/39/95/52/206399552.db2.gz PTKVITFESKKHKW-UHFFFAOYSA-N 0 0 378.903 5.926 50 0 GKAARN c1nc2c(s1)c(SCc1ccccc1)nnc2SCc1ccccc1 ZINC000002183675 206399912 /nfs/dbraw/zinc/39/99/12/206399912.db2.gz VFQXIGHLAQMKNT-UHFFFAOYSA-N 0 0 381.551 5.671 50 0 GKAARN CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000002188754 206399956 /nfs/dbraw/zinc/39/99/56/206399956.db2.gz NBEOLUPTLIJJCX-HJPURHCSSA-N 0 0 390.914 6.625 50 0 GKAARN CC(C)Oc1ccc(-c2cc(=O)c3c(OC(C)C)cc(OC(C)C)cc3o2)cc1 ZINC000002170459 206399983 /nfs/dbraw/zinc/39/99/83/206399983.db2.gz PFRBRLGYLGPXLG-UHFFFAOYSA-N 0 0 396.483 5.822 50 0 GKAARN Cc1ccc(-c2c3c(nc4sc(C(=O)c5cccs5)c(N)c42)CCC3)cc1 ZINC000002195296 206401750 /nfs/dbraw/zinc/40/17/50/206401750.db2.gz TUIYEMAAAVUBAS-UHFFFAOYSA-N 0 0 390.533 5.635 50 0 GKAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C(C)C)cc2)cc1 ZINC000002247069 206404324 /nfs/dbraw/zinc/40/43/24/206404324.db2.gz SHHWBXZBUDIFHH-UHFFFAOYSA-N 0 0 378.479 6.068 50 0 GKAARN COc1cccc(-c2csc(-c3nc(-c4cccc(OC)c4)cs3)n2)c1 ZINC000002250756 206404615 /nfs/dbraw/zinc/40/46/15/206404615.db2.gz FZNUOPFBRSYANJ-UHFFFAOYSA-N 0 0 380.494 5.618 50 0 GKAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000002304889 206408445 /nfs/dbraw/zinc/40/84/45/206408445.db2.gz GQXHKQHUGACNBS-KRWDZBQOSA-N 0 0 399.494 5.761 50 0 GKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1Cl ZINC000002317204 206408544 /nfs/dbraw/zinc/40/85/44/206408544.db2.gz CCSAALOGORZMSJ-IIBYNOLFSA-N 0 0 376.887 5.932 50 0 GKAARN Cn1c2ccccc2c(=O)c(-c2cccs2)c1NC(=O)c1ccc(Cl)cc1 ZINC000002341563 206409929 /nfs/dbraw/zinc/40/99/29/206409929.db2.gz CNMBEYAOOKIVCS-UHFFFAOYSA-N 0 0 394.883 5.173 50 0 GKAARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000002360897 206410831 /nfs/dbraw/zinc/41/08/31/206410831.db2.gz KBWQSJAGHUADBB-LJQANCHMSA-N 0 0 381.545 5.085 50 0 GKAARN CCCCc1nc2sc3c(ncnc3N(CCC)CCC)c2c2c1CCC2 ZINC000002351806 206410924 /nfs/dbraw/zinc/41/09/24/206410924.db2.gz VPFDFSIPVPDYOT-UHFFFAOYSA-N 0 0 382.577 5.697 50 0 GKAARN CCCCc1nc2sc3c(ncnc3N3CCCC[C@H]3C)c2c2c1CCC2 ZINC000002405533 206414262 /nfs/dbraw/zinc/41/42/62/206414262.db2.gz VIQBGMGNTIGODW-CQSZACIVSA-N 0 0 380.561 5.450 50 0 GKAARN CCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 ZINC000002414505 206414938 /nfs/dbraw/zinc/41/49/38/206414938.db2.gz SRVWLEPPZAEHGD-UHFFFAOYSA-N 0 0 378.863 5.209 50 0 GKAARN CC(C)Sc1nc2sc3c(c2c(N2CCCCC2)n1)CC(C)(C)OC3 ZINC000002417044 206415562 /nfs/dbraw/zinc/41/55/62/206415562.db2.gz WDYBDRXNMISKNG-UHFFFAOYSA-N 0 0 377.579 5.033 50 0 GKAARN CCCc1nc2sc3c(ncnc3NCCc3ccccc3)c2c2c1CCC2 ZINC000002417462 206415718 /nfs/dbraw/zinc/41/57/18/206415718.db2.gz DOTYTSDBVLWVCZ-UHFFFAOYSA-N 0 0 388.540 5.335 50 0 GKAARN CC(C)(C)c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000002427971 206416916 /nfs/dbraw/zinc/41/69/16/206416916.db2.gz LLFDVXXLEWJUCK-UHFFFAOYSA-N 0 0 393.512 5.769 50 0 GKAARN Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1Cl ZINC000002446941 206418113 /nfs/dbraw/zinc/41/81/13/206418113.db2.gz UAIVHXGHYZXTEB-UHFFFAOYSA-N 0 0 384.719 5.735 50 0 GKAARN Clc1ccc(OCCCn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000002690509 206428900 /nfs/dbraw/zinc/42/89/00/206428900.db2.gz JXUOGXKUENZCNQ-UHFFFAOYSA-N 0 0 392.886 5.738 50 0 GKAARN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000002707292 206429960 /nfs/dbraw/zinc/42/99/60/206429960.db2.gz JLLLRRDFDDLJMI-YRNVUSSQSA-N 0 0 392.282 5.602 50 0 GKAARN O=C(NCCCCc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002736791 206431794 /nfs/dbraw/zinc/43/17/94/206431794.db2.gz ZAYHFWBDJIXGAX-QHCPKHFHSA-N 0 0 375.537 5.659 50 0 GKAARN CCCOc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 ZINC000002750745 206432011 /nfs/dbraw/zinc/43/20/11/206432011.db2.gz JKPPEVYDKKSGTB-UHFFFAOYSA-N 0 0 395.480 5.243 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc5ccccc5c4)c3)oc2c1 ZINC000002933973 206447222 /nfs/dbraw/zinc/44/72/22/206447222.db2.gz DPDOQDXXTSUOBP-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000002850529 206440985 /nfs/dbraw/zinc/44/09/85/206440985.db2.gz NDZNZLXFRFJMJT-QMMMGPOBSA-N 0 0 385.247 5.148 50 0 GKAARN CC[C@H](C(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000002862828 206442321 /nfs/dbraw/zinc/44/23/21/206442321.db2.gz QFERPWHAACXMAX-FQEVSTJZSA-N 0 0 386.495 5.688 50 0 GKAARN CCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000002861964 206442351 /nfs/dbraw/zinc/44/23/51/206442351.db2.gz WGGKFKUZEKRJPV-UHFFFAOYSA-N 0 0 381.479 5.494 50 0 GKAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1)c1ccccc1 ZINC000002879173 206443732 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CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(F)(F)F)c2)C(=S)N1 ZINC000020642146 207208308 /nfs/dbraw/zinc/20/83/08/207208308.db2.gz PZBQXBKYHGUHIR-VQIMIIECSA-N 0 0 392.446 5.202 50 0 GKAARN O=c1c(SCc2cccc(C(F)(F)F)c2)nccn1-c1cccc(Cl)c1 ZINC000020597827 207204147 /nfs/dbraw/zinc/20/41/47/207204147.db2.gz MGEFMKTUZMLTPZ-UHFFFAOYSA-N 0 0 396.821 5.197 50 0 GKAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3C)c2)c1C ZINC000020580454 207204174 /nfs/dbraw/zinc/20/41/74/207204174.db2.gz FVSCFKRSEIXIIU-UHFFFAOYSA-N 0 0 390.892 5.029 50 0 GKAARN Clc1ccc(-c2noc3ncnc(NCCc4c[nH]c5ccccc45)c32)cc1 ZINC000020575084 207204804 /nfs/dbraw/zinc/20/48/04/207204804.db2.gz CIIINILKTGRMGO-UHFFFAOYSA-N 0 0 389.846 5.074 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n([C@H](C)CC)c3n2)cc1 ZINC000020603611 207205987 /nfs/dbraw/zinc/20/59/87/207205987.db2.gz AJOUSKZEQQZIOV-LLVKDONJSA-N 0 0 389.471 5.592 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020605174 207206423 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Cc1cc(C)n(-c2nc3cc(C)ccc3nc2NCc2ccccc2Cl)n1 ZINC000020851961 207216369 /nfs/dbraw/zinc/21/63/69/207216369.db2.gz VLVMAUDPYSJBRM-UHFFFAOYSA-N 0 0 377.879 5.006 50 0 GKAARN Clc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020852432 207216636 /nfs/dbraw/zinc/21/66/36/207216636.db2.gz LVBACTYXXPVSJK-IBGZPJMESA-N 0 0 396.277 6.245 50 0 GKAARN O=C(Nc1noc(-c2ccc(F)cc2)c1-c1ccccc1F)c1ccc(F)cc1 ZINC000020854068 207217286 /nfs/dbraw/zinc/21/72/86/207217286.db2.gz BQABNAMUNAKLFL-UHFFFAOYSA-N 0 0 394.352 5.678 50 0 GKAARN CCc1ccc([C@H](C)NC(=O)Cc2csc(COc3cccc(C)c3)n2)cc1 ZINC000020894743 207217530 /nfs/dbraw/zinc/21/75/30/207217530.db2.gz HVOBXWXWRCKZLB-KRWDZBQOSA-N 0 0 394.540 5.013 50 0 GKAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@@H](c1ccccc1C)SCC(=O)N2 ZINC000020898696 207217607 /nfs/dbraw/zinc/21/76/07/207217607.db2.gz PWFXGLWMNMTSPK-HXUWFJFHSA-N 0 0 397.931 5.226 50 0 GKAARN CSc1ccc(NC(=O)c2sc(COc3cccc(C)c3)nc2C)cc1 ZINC000020894699 207218051 /nfs/dbraw/zinc/21/80/51/207218051.db2.gz 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ZINC000026312225 207311616 /nfs/dbraw/zinc/31/16/16/207311616.db2.gz UKPKDLBQCACPFC-HSZRJFAPSA-N 0 0 397.503 5.831 50 0 GKAARN O=C(Cc1csc(-c2ccccn2)n1)OCc1ccc(-c2ccccc2)cc1 ZINC000026369910 207312835 /nfs/dbraw/zinc/31/28/35/207312835.db2.gz RJEYWXYRCUWUGB-UHFFFAOYSA-N 0 0 386.476 5.158 50 0 GKAARN C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2C1 ZINC000027377316 207323768 /nfs/dbraw/zinc/32/37/68/207323768.db2.gz PXPTZDOIAUWKCF-HUUCEWRRSA-N 0 0 380.513 5.034 50 0 GKAARN O=C(c1ccccc1Br)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795482 207332425 /nfs/dbraw/zinc/33/24/25/207332425.db2.gz CIZFRDKJNXLFQN-UHFFFAOYSA-N 0 0 390.664 5.543 50 0 GKAARN Cc1c(C(=O)N(Cc2cccs2)c2ccc(C)cc2)oc2cc(C)cc(C)c12 ZINC000027993361 207333625 /nfs/dbraw/zinc/33/36/25/207333625.db2.gz KBMCBDZCMIDIGW-UHFFFAOYSA-N 0 0 389.520 6.575 50 0 GKAARN COc1cccc([C@H]2CCCN2Cc2nc(-c3ccc(F)cc3F)oc2C)c1 ZINC000012593851 207324084 /nfs/dbraw/zinc/32/40/84/207324084.db2.gz CHGIOVWGGSAEOA-OAQYLSRUSA-N 0 0 384.426 5.274 50 0 GKAARN Cc1onc(-c2ccccc2)c1C1=N/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)O1 ZINC000027500160 207325226 /nfs/dbraw/zinc/32/52/26/207325226.db2.gz UPCYTDIQRZROMC-RGEXLXHISA-N 0 0 386.451 5.292 50 0 GKAARN Cc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027585923 207326615 /nfs/dbraw/zinc/32/66/15/207326615.db2.gz GBFUGNLGCKLXDP-UHFFFAOYSA-N 0 0 376.463 6.115 50 0 GKAARN Cc1cc(N[C@@H](C)c2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585756 207327478 /nfs/dbraw/zinc/32/74/78/207327478.db2.gz XNIDAVYQAOSTBL-HNNXBMFYSA-N 0 0 396.416 5.897 50 0 GKAARN CCc1ccc(OCC(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 ZINC000027663448 207328489 /nfs/dbraw/zinc/32/84/89/207328489.db2.gz MOLRCUDPNNYBBT-UHFFFAOYSA-N 0 0 385.916 5.576 50 0 GKAARN CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000027666540 207328917 /nfs/dbraw/zinc/32/89/17/207328917.db2.gz VHEUKEKGBLYJRO-QHCPKHFHSA-N 0 0 375.553 5.055 50 0 GKAARN Cc1cc2sc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)nc2c(C)c1 ZINC000040119796 207344354 /nfs/dbraw/zinc/34/43/54/207344354.db2.gz WETSKQUUXAZEIO-UHFFFAOYSA-N 0 0 380.498 5.014 50 0 GKAARN CC(C)[C@@H](NCc1csc(-c2ccsc2)n1)c1ccc2c(c1)OCCO2 ZINC000039990627 207336244 /nfs/dbraw/zinc/33/62/44/207336244.db2.gz AIHRAHQBMUYNRN-LJQANCHMSA-N 0 0 386.542 5.130 50 0 GKAARN CC(=O)Nc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1C ZINC000040059539 207336468 /nfs/dbraw/zinc/33/64/68/207336468.db2.gz JDHQCNYUDICNTP-UHFFFAOYSA-N 0 0 381.473 5.077 50 0 GKAARN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)cc1 ZINC000028292555 207339730 /nfs/dbraw/zinc/33/97/30/207339730.db2.gz NWLKFPFFCZQCLG-UHFFFAOYSA-N 0 0 398.865 5.049 50 0 GKAARN CCc1ccc2oc(C(=O)N(Cc3ccccc3F)c3ccccn3)c(C)c2c1 ZINC000028403254 207340841 /nfs/dbraw/zinc/34/08/41/207340841.db2.gz PWPIMBXPGUBVJG-UHFFFAOYSA-N 0 0 388.442 5.685 50 0 GKAARN Fc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1Cl ZINC000002215227 209349886 /nfs/dbraw/zinc/34/98/86/209349886.db2.gz CMWOQHPWGKWUPR-UHFFFAOYSA-N 0 0 375.321 5.211 50 0 GKAARN Clc1cccc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)c1 ZINC000028962525 207354278 /nfs/dbraw/zinc/35/42/78/207354278.db2.gz TVPPNVKIVJBSMN-LJQANCHMSA-N 0 0 396.874 5.103 50 0 GKAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000029329063 207360688 /nfs/dbraw/zinc/36/06/88/207360688.db2.gz ALYDNIHBRRWTJE-UHFFFAOYSA-N 0 0 392.462 5.050 50 0 GKAARN Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)cc2)oc1C ZINC000040156462 207357393 /nfs/dbraw/zinc/35/73/93/207357393.db2.gz BIXFUNVGTIYBHW-UHFFFAOYSA-N 0 0 392.846 5.254 50 0 GKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000040155982 207358290 /nfs/dbraw/zinc/35/82/90/207358290.db2.gz BCKPLYGCWPXRKN-UHFFFAOYSA-N 0 0 398.506 5.161 50 0 GKAARN O=C(N[C@H](c1cccs1)C1CCCC1)N[C@H](c1cccs1)C1CCCC1 ZINC000040158905 207359612 /nfs/dbraw/zinc/35/96/12/207359612.db2.gz PJZMEUXTOONZKW-PMACEKPBSA-N 0 0 388.602 6.272 50 0 GKAARN CCOCc1ccccc1CNC(=O)c1ccc(C2SCCCS2)cc1 ZINC000030178966 207370419 /nfs/dbraw/zinc/37/04/19/207370419.db2.gz 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/nfs/dbraw/zinc/38/90/62/207389062.db2.gz CWMKODICFOEUSZ-UHFFFAOYSA-N 0 0 383.495 5.137 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)cc2)sc2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000032069560 207389281 /nfs/dbraw/zinc/38/92/81/207389281.db2.gz ZDUKNCCFUMCUKZ-OAHLLOKOSA-N 0 0 382.510 5.802 50 0 GKAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000032093477 207390850 /nfs/dbraw/zinc/39/08/50/207390850.db2.gz MKRPLALFYSYFLM-HNNXBMFYSA-N 0 0 398.434 5.711 50 0 GKAARN COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4[C@H](C=C(C)C)C4(C)C)CC3)c2c1 ZINC000032336782 207395561 /nfs/dbraw/zinc/39/55/61/207395561.db2.gz ISMKFASBCXCFLG-RBBKRZOGSA-N 0 0 378.516 5.031 50 0 GKAARN CCSc1nnc(Sc2ncnc3sc4c(c32)CCCCC4)s1 ZINC000032533853 207397099 /nfs/dbraw/zinc/39/70/99/207397099.db2.gz NMBSQQOWUXAZDG-UHFFFAOYSA-N 0 0 380.589 5.075 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 ZINC000032594081 207398128 /nfs/dbraw/zinc/39/81/28/207398128.db2.gz ODJQZMGOWNPZHN-UHFFFAOYSA-N 0 0 391.471 5.047 50 0 GKAARN O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccc(F)cc1 ZINC000032623932 207398926 /nfs/dbraw/zinc/39/89/26/207398926.db2.gz MPZJDUCTLFFCRF-UHFFFAOYSA-N 0 0 393.805 5.448 50 0 GKAARN CCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000032622690 207399933 /nfs/dbraw/zinc/39/99/33/207399933.db2.gz LMYGUQOQNADRFM-UHFFFAOYSA-N 0 0 399.450 5.363 50 0 GKAARN CCOc1ccc(Oc2ccccc2NC(=O)CCC(=O)c2ccccc2)cc1 ZINC000032750276 207404834 /nfs/dbraw/zinc/40/48/34/207404834.db2.gz NGPLTHUQKFEZRJ-UHFFFAOYSA-N 0 0 389.451 5.479 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000033020189 207432232 /nfs/dbraw/zinc/43/22/32/207432232.db2.gz XOIUZIMSMVQZJP-UHFFFAOYSA-N 0 0 393.512 5.376 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccccc1Br ZINC000033036412 207433092 /nfs/dbraw/zinc/43/30/92/207433092.db2.gz GEYAZUPFXYQUQB-UHFFFAOYSA-N 0 0 391.268 5.850 50 0 GKAARN CSc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)cc2)c1 ZINC000032960507 207425099 /nfs/dbraw/zinc/42/50/99/207425099.db2.gz TYIVYXGQDSSHFQ-UHFFFAOYSA-N 0 0 378.476 5.642 50 0 GKAARN Cc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000032975028 207425172 /nfs/dbraw/zinc/42/51/72/207425172.db2.gz MQPSDGHBFYGSOL-UHFFFAOYSA-N 0 0 395.506 5.097 50 0 GKAARN Cc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)Cc2cccs2)cc1 ZINC000033115586 207438428 /nfs/dbraw/zinc/43/84/28/207438428.db2.gz FFKPCBXWNRNGFR-RUZDIDTESA-N 0 0 398.531 5.522 50 0 GKAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)c(F)c2)n1-c1cccc(Cl)c1 ZINC000033096838 207439249 /nfs/dbraw/zinc/43/92/49/207439249.db2.gz HGJUYJHXKATGTC-LUAWRHEFSA-N 0 0 394.808 5.488 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)NCc3ccc(F)cc3Cl)cs2)c(C)c1 ZINC000033138798 207441921 /nfs/dbraw/zinc/44/19/21/207441921.db2.gz HJYDDQWYLWLEOK-UHFFFAOYSA-N 0 0 389.883 5.226 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(c2nccc3sccc32)C1 ZINC000033174203 207442839 /nfs/dbraw/zinc/44/28/39/207442839.db2.gz AYKVYKLMEYWFAG-CQSZACIVSA-N 0 0 385.920 5.113 50 0 GKAARN CCCOc1ccc(-c2noc(Cc3nc(-c4ccc(F)cc4)cs3)n2)cc1 ZINC000033298240 207450549 /nfs/dbraw/zinc/45/05/49/207450549.db2.gz IDDBKRXOJGIPNF-UHFFFAOYSA-N 0 0 395.459 5.379 50 0 GKAARN Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034795440 207474652 /nfs/dbraw/zinc/47/46/52/207474652.db2.gz FQCAUSLENRHVTQ-UHFFFAOYSA-N 0 0 379.769 5.310 50 0 GKAARN CC(C)c1ccc(NC(=O)Nc2c(-c3ccccc3)n[nH]c2-c2ccccc2)cc1 ZINC000034796749 207474880 /nfs/dbraw/zinc/47/48/80/207474880.db2.gz LVCBVVBERHVVLF-UHFFFAOYSA-N 0 0 396.494 6.511 50 0 GKAARN Nc1cccc(Oc2ccc(C(=O)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1 ZINC000034601585 207466363 /nfs/dbraw/zinc/46/63/63/207466363.db2.gz BBRLKRNNIMVXOD-UHFFFAOYSA-N 0 0 396.446 5.667 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000035536418 207496215 /nfs/dbraw/zinc/49/62/15/207496215.db2.gz GWVQAWNRLRACTH-UHFFFAOYSA-N 0 0 399.288 5.536 50 0 GKAARN C[C@H]1CCc2c(sc3nc(CCc4ccccc4)nc(N4CCCC4)c23)C1 ZINC000035892670 207501945 /nfs/dbraw/zinc/50/19/45/207501945.db2.gz PKAPHFXBEUEIBR-INIZCTEOSA-N 0 0 377.557 5.202 50 0 GKAARN O=C(NCc1ccc(-c2cccc(F)c2)c2ccncc12)Nc1cccc(F)c1 ZINC000035844626 207502577 /nfs/dbraw/zinc/50/25/77/207502577.db2.gz MMYOTEOGHGWEAI-UHFFFAOYSA-N 0 0 389.405 5.502 50 0 GKAARN CCOc1cc(NC(=S)Nc2ccc(F)c(Cl)c2)ccc1OC(F)F ZINC000036611090 207532176 /nfs/dbraw/zinc/53/21/76/207532176.db2.gz VGGHHAHDWSTNHW-UHFFFAOYSA-N 0 0 390.814 5.288 50 0 GKAARN CCc1cc(C(=O)N(C)c2ccccc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621632 207534083 /nfs/dbraw/zinc/53/40/83/207534083.db2.gz QMIXQVLZDMHEMW-UHFFFAOYSA-N 0 0 396.494 5.137 50 0 GKAARN CC(C)CN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)c1ccccc1Cl ZINC000036004668 207506845 /nfs/dbraw/zinc/50/68/45/207506845.db2.gz OSKSGYXIGAIKKX-UHFFFAOYSA-N 0 0 386.854 5.433 50 0 GKAARN Cc1ccc(-c2cc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)no2)c(C)c1 ZINC000036012338 207507099 /nfs/dbraw/zinc/50/70/99/207507099.db2.gz JLHBOFXQCUIHKH-UHFFFAOYSA-N 0 0 396.918 5.910 50 0 GKAARN CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccc(C)c1 ZINC000036031728 207507258 /nfs/dbraw/zinc/50/72/58/207507258.db2.gz 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CCOc1ccc(NC(=O)c2sc(COc3ccc(C)c(C)c3)nc2C)cc1 ZINC000086056781 208102644 /nfs/dbraw/zinc/10/26/44/208102644.db2.gz MNNLERJKVSULAB-UHFFFAOYSA-N 0 0 396.512 5.298 50 0 GKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000085808344 208102759 /nfs/dbraw/zinc/10/27/59/208102759.db2.gz SVOQWFOJWQQDBN-UHFFFAOYSA-N 0 0 377.394 6.066 50 0 GKAARN CCC(=O)c1cccc(NC(=O)c2oc3ccc(Br)cc3c2C)c1 ZINC000082087376 208076868 /nfs/dbraw/zinc/07/68/68/208076868.db2.gz VEJUVZIOUIYEBR-UHFFFAOYSA-N 0 0 386.245 5.349 50 0 GKAARN CSc1cccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(C)cc2)c1 ZINC000085808359 208103010 /nfs/dbraw/zinc/10/30/10/208103010.db2.gz FYIFSVMODUFINT-UHFFFAOYSA-N 0 0 387.508 6.509 50 0 GKAARN CCc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000083827772 208084539 /nfs/dbraw/zinc/08/45/39/208084539.db2.gz SXOYLMUTQRTVLS-UHFFFAOYSA-N 0 0 386.426 5.962 50 0 GKAARN CC(C)NC(=S)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@H]1C ZINC000089941485 208111501 /nfs/dbraw/zinc/11/15/01/208111501.db2.gz 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/nfs/dbraw/zinc/36/48/28/210364828.db2.gz ASXFHJCVRCOCFJ-UHFFFAOYSA-N 0 0 397.885 5.363 50 0 GKAARN CC(C)N(c1ccccc1)c1ccc(NC(=S)NCc2cccs2)cc1 ZINC000003287735 208511008 /nfs/dbraw/zinc/51/10/08/208511008.db2.gz UNQOGJPQZKOPIF-UHFFFAOYSA-N 0 0 381.570 5.781 50 0 GKAARN Cc1ccc(C)c(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn32)c1 ZINC000020853502 210363079 /nfs/dbraw/zinc/36/30/79/210363079.db2.gz IGRXCLWIMJZVDD-UHFFFAOYSA-N 0 0 387.531 5.261 50 0 GKAARN O=C(CC1c2ccccc2CCc2ccccc21)N1CCC[C@@H]1c1nccs1 ZINC000020854699 210362976 /nfs/dbraw/zinc/36/29/76/210362976.db2.gz JKGOAWIXARDMLR-JOCHJYFZSA-N 0 0 388.536 5.127 50 0 GKAARN COc1ccc(C)cc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000020852766 210362548 /nfs/dbraw/zinc/36/25/48/210362548.db2.gz LOVPEHVRTFOIPS-NRFANRHFSA-N 0 0 389.430 5.394 50 0 GKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1F ZINC000020852779 210362583 /nfs/dbraw/zinc/36/25/83/210362583.db2.gz GJZPQZIMNINYGI-FQEVSTJZSA-N 0 0 377.394 5.525 50 0 GKAARN Clc1ccc([C@H](NCCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020852701 210362154 /nfs/dbraw/zinc/36/21/54/210362154.db2.gz LODHTHJXLMOOLH-NRFANRHFSA-N 0 0 389.886 5.312 50 0 GKAARN COc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1 ZINC000020852511 210362331 /nfs/dbraw/zinc/36/23/31/210362331.db2.gz NJFKPPTUPAGRDZ-HXUWFJFHSA-N 0 0 391.858 5.600 50 0 GKAARN O=[N+]([O-])C(C(=Nc1ccccc1)Nc1ccccc1)=C(Cl)C(Cl)Cl ZINC000001640416 208498586 /nfs/dbraw/zinc/49/85/86/208498586.db2.gz IJURCJWRCXZRLF-UHFFFAOYSA-N 0 0 384.650 5.542 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(C)cc3C)c3cc(C)ccc3o2)cc1OC ZINC000002887232 208506921 /nfs/dbraw/zinc/50/69/21/208506921.db2.gz FQFGJMPCGONFBR-HPNDGRJYSA-N 0 0 399.490 6.275 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000020604984 210352404 /nfs/dbraw/zinc/35/24/04/210352404.db2.gz OGIBPOCPJFEALC-UHFFFAOYSA-N 0 0 389.327 5.693 50 0 GKAARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc(Oc2ccccc2)cc1 ZINC000004069867 208533648 /nfs/dbraw/zinc/53/36/48/208533648.db2.gz KDGKRRSGKGSLJV-UHFFFAOYSA-N 0 0 396.471 6.494 50 0 GKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccco1 ZINC000004043725 208534310 /nfs/dbraw/zinc/53/43/10/208534310.db2.gz PRWRSYXOTWOYRP-ILBGXUMGSA-N 0 0 397.559 5.490 50 0 biogenic GKAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccc(C)cc3)cc(C(F)F)c12 ZINC000020603144 210350029 /nfs/dbraw/zinc/35/00/29/210350029.db2.gz JYPSPYCMAMWDKM-UHFFFAOYSA-N 0 0 377.438 6.009 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000020578910 210349081 /nfs/dbraw/zinc/34/90/81/210349081.db2.gz XOUGEGSHXBUPKO-UHFFFAOYSA-N 0 0 390.874 5.251 50 0 GKAARN Cc1ccc([C@@H](CC(=O)Nc2ccccc2C)N2Cc3ccccc3C2=O)cc1 ZINC000020561907 210347408 /nfs/dbraw/zinc/34/74/08/210347408.db2.gz IZLRHSUYIIUTBZ-HSZRJFAPSA-N 0 0 384.479 5.029 50 0 GKAARN Cc1ccc(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)c(Cl)c1 ZINC000020557471 210346756 /nfs/dbraw/zinc/34/67/56/210346756.db2.gz SGVHMSKEPVYMAX-UHFFFAOYSA-N 0 0 375.946 5.815 50 0 GKAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000020531983 210343628 /nfs/dbraw/zinc/34/36/28/210343628.db2.gz DRPYHFNRYXSKMA-FQEVSTJZSA-N 0 0 386.520 5.564 50 0 GKAARN Fc1cccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c1 ZINC000020509718 210343395 /nfs/dbraw/zinc/34/33/95/210343395.db2.gz YQDFUTUHMGOKJI-LJQANCHMSA-N 0 0 379.822 5.731 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc21 ZINC000020513559 210342750 /nfs/dbraw/zinc/34/27/50/210342750.db2.gz YOWZVWPBSVEXAX-UHFFFAOYSA-N 0 0 397.400 6.477 50 0 GKAARN FC(F)(F)c1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1 ZINC000004326798 208540940 /nfs/dbraw/zinc/54/09/40/208540940.db2.gz HTXNQRGEGVVHON-UHFFFAOYSA-N 0 0 392.431 5.164 50 0 GKAARN CC(C)Nc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000020458649 210337908 /nfs/dbraw/zinc/33/79/08/210337908.db2.gz PWSLBFVIGNZHBV-UHFFFAOYSA-N 0 0 392.208 5.480 50 0 GKAARN O=C1N2CCCN2[C@H](c2ccccc2F)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020321041 210327525 /nfs/dbraw/zinc/32/75/25/210327525.db2.gz RSAWSWSTURHBHQ-INIZCTEOSA-N 0 0 399.775 5.059 50 0 GKAARN Fc1ccc(C2=Nc3ccccc3N=C(c3ccc(C(F)(F)F)cc3)N2)cc1 ZINC000020447194 210334159 /nfs/dbraw/zinc/33/41/59/210334159.db2.gz RIIHJMIWBVUPEU-UHFFFAOYSA-N 0 0 383.348 5.795 50 0 GKAARN CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccccc2)CO1 ZINC000020412252 210331698 /nfs/dbraw/zinc/33/16/98/210331698.db2.gz RWLVYZITAZCHLO-UHFFFAOYSA-N 0 0 397.902 5.184 50 0 GKAARN Cc1ccc(C(=O)NCCc2cn(CC3CCCCC3)c3ccc(C)cc23)cc1 ZINC000020100130 210316446 /nfs/dbraw/zinc/31/64/46/210316446.db2.gz ZEABXUDBUBMLKP-UHFFFAOYSA-N 0 0 388.555 5.811 50 0 GKAARN O=C(Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1)c1cccs1 ZINC000020096505 210316118 /nfs/dbraw/zinc/31/61/18/210316118.db2.gz NDQRQXJKILNMOO-UHFFFAOYSA-N 0 0 390.508 5.451 50 0 GKAARN O=C(NCCCCc1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002736790 209380528 /nfs/dbraw/zinc/38/05/28/209380528.db2.gz ZAYHFWBDJIXGAX-HSZRJFAPSA-N 0 0 375.537 5.659 50 0 GKAARN CCCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c2ccccc12 ZINC000019942955 210311487 /nfs/dbraw/zinc/31/14/87/210311487.db2.gz MBFFDLWRTIBWTB-HDICACEKSA-N 0 0 389.561 5.075 50 0 GKAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc3ccccc32)c1 ZINC000019834335 210302886 /nfs/dbraw/zinc/30/28/86/210302886.db2.gz KCBLFJXAJJNGNV-ZJSXRUAMSA-N 0 0 382.488 6.144 50 0 GKAARN Cc1oc(-c2cccc(C)c2)cc1-c1nn2c(nnc2-c2cccc(C)c2)s1 ZINC000019811702 210300775 /nfs/dbraw/zinc/30/07/75/210300775.db2.gz GKPRKEQWFFXKJW-UHFFFAOYSA-N 0 0 386.480 5.705 50 0 GKAARN O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(C(F)(F)F)cc1 ZINC000019927084 210309164 /nfs/dbraw/zinc/30/91/64/210309164.db2.gz UMBRPNIHYZKNQV-HNNXBMFYSA-N 0 0 392.229 5.791 50 0 GKAARN CC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN([C@H](C)c2ccccc2)C1 ZINC000019863941 210304267 /nfs/dbraw/zinc/30/42/67/210304267.db2.gz WIWGHIBFYDMOPF-OAHLLOKOSA-N 0 0 385.463 6.010 50 0 GKAARN CC(C)(C)c1cc([C@@H](c2cccs2)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000019790510 210294676 /nfs/dbraw/zinc/29/46/76/210294676.db2.gz LSOCBNJQMCEICU-FQEVSTJZSA-N 0 0 387.589 5.470 50 0 GKAARN CC[C@@H](C)c1ccccc1O[C@H](C)CNc1cccc(OCc2ccccc2)c1 ZINC000019738477 210290803 /nfs/dbraw/zinc/29/08/03/210290803.db2.gz RAFCYMBKLIIZOO-NHCUHLMSSA-N 0 0 389.539 6.659 50 0 GKAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cccs1)CC2 ZINC000019732610 210290659 /nfs/dbraw/zinc/29/06/59/210290659.db2.gz ZQAJHSHGWFMOBD-JOCHJYFZSA-N 0 0 399.943 5.566 50 0 GKAARN CN(Cc1ccccc1Cl)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000005094523 208664229 /nfs/dbraw/zinc/66/42/29/208664229.db2.gz MICWEIPGZRWABU-UHFFFAOYSA-N 0 0 387.870 5.222 50 0 GKAARN CSc1nc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2s1 ZINC000005721423 208673173 /nfs/dbraw/zinc/67/31/73/208673173.db2.gz VCHHLUSIQRRZMA-UHFFFAOYSA-N 0 0 390.942 6.139 50 0 GKAARN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000006219064 208676958 /nfs/dbraw/zinc/67/69/58/208676958.db2.gz MLIOSPXGNPCWQO-UHFFFAOYSA-N 0 0 387.464 5.174 50 0 GKAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000005359748 208669893 /nfs/dbraw/zinc/66/98/93/208669893.db2.gz OXVYTARQFNPVRL-ZDUSSCGKSA-N 0 0 399.541 5.104 50 0 GKAARN COc1ccc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc2c1 ZINC000008777425 208697767 /nfs/dbraw/zinc/69/77/67/208697767.db2.gz LETBBWUFFJHDAM-UHFFFAOYSA-N 0 0 375.424 5.142 50 0 GKAARN Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)c(C)n1CC(F)(F)F ZINC000001462561 208710069 /nfs/dbraw/zinc/71/00/69/208710069.db2.gz JKTJZIJUNWSTDA-CAOOACKPSA-N 0 0 395.812 5.127 50 0 GKAARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)c2cc(C)ccc2C)cc1 ZINC000006160921 208723103 /nfs/dbraw/zinc/72/31/03/208723103.db2.gz CTFVJEMVHVPXCK-UHFFFAOYSA-N 0 0 386.520 5.926 50 0 GKAARN Cc1cccc(N(C)C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)n1 ZINC000170631508 208755337 /nfs/dbraw/zinc/75/53/37/208755337.db2.gz UBQROCSZDMQOHQ-UHFFFAOYSA-N 0 0 387.458 5.273 50 0 GKAARN O=C(C1CCC1)N(Cc1ccccc1)c1nc(-c2ccccc2Cl)cs1 ZINC000012568590 208772505 /nfs/dbraw/zinc/77/25/05/208772505.db2.gz YBMLFLCRGACWAY-UHFFFAOYSA-N 0 0 382.916 5.797 50 0 GKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-n2cccn2)cc1 ZINC000012620687 208772794 /nfs/dbraw/zinc/77/27/94/208772794.db2.gz WOGRPAVNDADPQT-UHFFFAOYSA-N 0 0 396.475 5.401 50 0 GKAARN O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012604144 208772945 /nfs/dbraw/zinc/77/29/45/208772945.db2.gz OTQIKXAUXNVQRI-LKGOPFMKSA-N 0 0 386.282 5.247 50 0 GKAARN O=C(NCc1cncc(-c2ccsc2)c1)NC(c1ccccc1)c1ccccc1 ZINC000206948758 208763598 /nfs/dbraw/zinc/76/35/98/208763598.db2.gz YTTWNZCIAUAQFT-UHFFFAOYSA-N 0 0 399.519 5.399 50 0 GKAARN O=C(c1cc2ccccc2s1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206998511 208763603 /nfs/dbraw/zinc/76/36/03/208763603.db2.gz JBUBPHIEDHJTPX-GOSISDBHSA-N 0 0 387.957 5.875 50 0 GKAARN CCCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc2ccccc2c1 ZINC000011691919 208764491 /nfs/dbraw/zinc/76/44/91/208764491.db2.gz ZSHNICFMPFFYJV-UHFFFAOYSA-N 0 0 396.486 7.401 50 0 GKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)n1 ZINC000012089951 208767486 /nfs/dbraw/zinc/76/74/86/208767486.db2.gz QQVAQYMPXSSWEC-UHFFFAOYSA-N 0 0 388.254 5.445 50 0 GKAARN COc1ccc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000014075053 208788487 /nfs/dbraw/zinc/78/84/87/208788487.db2.gz CUDJWXIMWJODOQ-FQEVSTJZSA-N 0 0 385.385 5.233 50 0 GKAARN CCCCNC(=O)c1c(NC(=O)c2cccc(C)c2C)sc2c1CCCC2 ZINC000014129473 208788538 /nfs/dbraw/zinc/78/85/38/208788538.db2.gz LBHKSLQQHAOKQB-UHFFFAOYSA-N 0 0 384.545 5.026 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2sccc2C)cc1 ZINC000013036176 208781367 /nfs/dbraw/zinc/78/13/67/208781367.db2.gz HNPKXUPXXXSSMX-DENIHFKCSA-N 0 0 376.481 5.307 50 0 GKAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(-c2ccoc2C)o1 ZINC000019314149 208803252 /nfs/dbraw/zinc/80/32/52/208803252.db2.gz VJXOJMCREXQXCS-UHFFFAOYSA-N 0 0 386.864 5.078 50 0 GKAARN COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000000975781 220472805 /nfs/dbraw/zinc/47/28/05/220472805.db2.gz NZRBWMVJIPDINM-DEDYPNTBSA-N 0 0 375.449 5.085 50 0 GKAARN Cc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc(Cl)c1 ZINC000023126814 208862749 /nfs/dbraw/zinc/86/27/49/208862749.db2.gz JVEFOLJMKZGDFO-UHFFFAOYSA-N 0 0 387.295 5.673 50 0 GKAARN CCc1ccc(Oc2c(=O)c3ccc(OC(C)=O)cc3oc2C(F)(F)F)cc1 ZINC000001156003 220479869 /nfs/dbraw/zinc/47/98/69/220479869.db2.gz FSZRKCPAAGKONT-UHFFFAOYSA-N 0 0 392.329 5.092 50 0 GKAARN C[C@]12C(=O)N(c3ccccc3Cl)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000001180795 220482035 /nfs/dbraw/zinc/48/20/35/220482035.db2.gz HCAGGONZRHMCBA-FEIQLAPHSA-N 0 0 399.877 5.127 50 0 GKAARN CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405073 220494613 /nfs/dbraw/zinc/49/46/13/220494613.db2.gz LKXCTLGNOAEONU-UHFFFAOYSA-N 0 0 392.459 5.069 50 0 GKAARN c1ccc(-c2nc(SCc3nc4ccccc4[nH]3)[nH]c2-c2ccccc2)cc1 ZINC000001408153 220494749 /nfs/dbraw/zinc/49/47/49/220494749.db2.gz REFNDWOJYXSPTF-UHFFFAOYSA-N 0 0 382.492 5.912 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000001856341 220500682 /nfs/dbraw/zinc/50/06/82/220500682.db2.gz GNRBBVCKXFTBLO-UHFFFAOYSA-N 0 0 387.792 6.068 50 0 GKAARN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Sc1ccccc1)N1CCCCC1 ZINC000001856745 220501167 /nfs/dbraw/zinc/50/11/67/220501167.db2.gz NSXJBTFGLJLMOV-FYWRMAATSA-N 0 0 393.723 5.596 50 0 GKAARN CCOc1cccc(C(=O)Nc2scc(-c3cccc(C)c3)c2C(=O)OC)c1 ZINC000002102504 220502387 /nfs/dbraw/zinc/50/23/87/220502387.db2.gz ZYOFLJRGIQVRRJ-UHFFFAOYSA-N 0 0 395.480 5.161 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000002088657 220502832 /nfs/dbraw/zinc/50/28/32/220502832.db2.gz BQTRTENTHHNSPO-UHFFFAOYSA-N 0 0 399.968 6.363 50 0 GKAARN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000002093718 220503390 /nfs/dbraw/zinc/50/33/90/220503390.db2.gz LLAZQCCDBHMAPH-UHFFFAOYSA-N 0 0 385.866 5.987 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000002136147 220505208 /nfs/dbraw/zinc/50/52/08/220505208.db2.gz GVFBSUQFKHGMNJ-UHFFFAOYSA-N 0 0 381.328 5.418 50 0 GKAARN CCc1ccc(/N=C2\S/C(=C\c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 ZINC000002176932 220505995 /nfs/dbraw/zinc/50/59/95/220505995.db2.gz JBSVFIXRPCUCBB-DJOYVXLESA-N 0 0 380.513 5.270 50 0 GKAARN O=C1C(=Cc2ccccc2)NC(=NC2CCCCC2)N1c1cccc(Cl)c1 ZINC000002179740 220507463 /nfs/dbraw/zinc/50/74/63/220507463.db2.gz LSRUNOZJUFWALY-ZHZULCJRSA-N 0 0 379.891 5.006 50 0 GKAARN CC(C)Cc1nc2sc3c(ncnc3NCc3ccco3)c2c2c1CCC2 ZINC000002222700 220511657 /nfs/dbraw/zinc/51/16/57/220511657.db2.gz CZUFJSBVZHSXQQ-UHFFFAOYSA-N 0 0 378.501 5.132 50 0 GKAARN Cc1cc(C)n(-c2nc3ccccc3nc2Oc2ccc(-c3ccccc3)cc2)n1 ZINC000002267075 220515010 /nfs/dbraw/zinc/51/50/10/220515010.db2.gz SLLIWMYGVLQRJG-UHFFFAOYSA-N 0 0 392.462 5.892 50 0 GKAARN CCCN(CCC)C(=O)C[C@H](c1ccc(OC(C)C)cc1)c1ccccc1OC ZINC000002263727 220515046 /nfs/dbraw/zinc/51/50/46/220515046.db2.gz XLWXZVAZLFBALP-HSZRJFAPSA-N 0 0 397.559 5.653 50 0 GKAARN CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(Cl)c32)CO1 ZINC000002265890 220515937 /nfs/dbraw/zinc/51/59/37/220515937.db2.gz WOMDDMNEFFYTBO-UHFFFAOYSA-N 0 0 376.934 5.488 50 0 GKAARN CCCCc1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1CCCC2 ZINC000002297382 220519610 /nfs/dbraw/zinc/51/96/10/220519610.db2.gz FPRNBMWSHPQXSU-AWEZNQCLSA-N 0 0 396.560 5.052 50 0 GKAARN CCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002292187 220519976 /nfs/dbraw/zinc/51/99/76/220519976.db2.gz QYNQANJILXMNJU-UHFFFAOYSA-N 0 0 398.576 5.501 50 0 GKAARN Cc1nc(SCc2ccc(Cl)cc2Cl)[nH]c(=O)c1Cc1ccccc1 ZINC000002350402 220525869 /nfs/dbraw/zinc/52/58/69/220525869.db2.gz FDHQSXVBWGOTGG-UHFFFAOYSA-N 0 0 391.323 5.681 50 0 GKAARN CCCCn1c(=O)c2c(nc1SC(C)C)-c1ccccc1CC21CCCCC1 ZINC000002352378 220526068 /nfs/dbraw/zinc/52/60/68/220526068.db2.gz DJBOPHDHWKMTJN-UHFFFAOYSA-N 0 0 396.600 5.969 50 0 GKAARN CCC(=O)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2 ZINC000002402682 220529291 /nfs/dbraw/zinc/52/92/91/220529291.db2.gz PVUYZSBKXSROJF-UHFFFAOYSA-N 0 0 398.506 6.012 50 0 GKAARN COc1ccc(C)cc1NCc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002402346 220529977 /nfs/dbraw/zinc/52/99/77/220529977.db2.gz XOQRSDWVQPZYRG-UHFFFAOYSA-N 0 0 387.435 5.095 50 0 GKAARN O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002298407 220520926 /nfs/dbraw/zinc/52/09/26/220520926.db2.gz ZWYYYTBLIMTYNX-UHFFFAOYSA-N 0 0 391.514 6.048 50 0 GKAARN Cc1nn2c(nc3c(c2NCCc2ccccc2)CCCC3)c1-c1ccccc1 ZINC000002327143 220521485 /nfs/dbraw/zinc/52/14/85/220521485.db2.gz DUENKCSDNJMFLO-UHFFFAOYSA-N 0 0 382.511 5.238 50 0 GKAARN CCCCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 ZINC000002325193 220521743 /nfs/dbraw/zinc/52/17/43/220521743.db2.gz GTWLBRXFCBSKPK-UHFFFAOYSA-N 0 0 394.569 5.777 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000057849711 533141186 /nfs/dbraw/zinc/14/11/86/533141186.db2.gz RFFHSIBPDBWYHW-NRFANRHFSA-N 0 0 379.504 5.055 50 0 GKAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1O ZINC000002343125 220524502 /nfs/dbraw/zinc/52/45/02/220524502.db2.gz LVFZKCYROSBYGL-UHFFFAOYSA-N 0 0 383.234 5.065 50 0 GKAARN Cc1ccc(-c2csc3ncnc(SCc4c(F)cccc4F)c23)cc1 ZINC000002351880 220525544 /nfs/dbraw/zinc/52/55/44/220525544.db2.gz GEWSPRSLPVZSCZ-UHFFFAOYSA-N 0 0 384.476 6.237 50 0 GKAARN CC(=O)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccc(C)cc1)n3CCCC2 ZINC000002420851 220533557 /nfs/dbraw/zinc/53/35/57/220533557.db2.gz BNQDQKOGBDIZLI-UHFFFAOYSA-N 0 0 382.507 6.231 50 0 GKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc(N(C)C)c2)c2ccc(C)cc2)cc1 ZINC000002617426 220544225 /nfs/dbraw/zinc/54/42/25/220544225.db2.gz WCTIRBKQQURPAJ-DEOSSOPVSA-N 0 0 387.479 5.150 50 0 GKAARN Fc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000002652410 220547791 /nfs/dbraw/zinc/54/77/91/220547791.db2.gz XXABVIHZXLJWDL-UHFFFAOYSA-N 0 0 395.890 6.019 50 0 GKAARN CO[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Cl)s1 ZINC000225703399 208968835 /nfs/dbraw/zinc/96/88/35/208968835.db2.gz HTHMTJAZVHZDEA-QGZVFWFLSA-N 0 0 399.899 5.143 50 0 GKAARN COc1ccccc1Cn1cc2c(-c3ccccc3)nnc-2c2cc(F)ccc21 ZINC000002688462 220552071 /nfs/dbraw/zinc/55/20/71/220552071.db2.gz BNOSOMLZWKSURB-UHFFFAOYSA-N 0 0 383.426 5.399 50 0 GKAARN COc1cccc(-c2cc(C(=O)Nc3ccccc3OC)c3ccccc3n2)c1 ZINC000002740573 220557651 /nfs/dbraw/zinc/55/76/51/220557651.db2.gz ITSUBKSFXOTROX-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)CCC1CCCCC1)C[C@@H](C)CC2 ZINC000002751383 220561046 /nfs/dbraw/zinc/56/10/46/220561046.db2.gz QYXXVUIPKPYOBQ-AWEZNQCLSA-N 0 0 377.550 5.349 50 0 GKAARN Cc1ccc([C@H](O)c2ccccn2)cc1NCc1csc(-c2cccs2)n1 ZINC000225836322 208981218 /nfs/dbraw/zinc/98/12/18/208981218.db2.gz LMWRTXIFMCAQJD-FQEVSTJZSA-N 0 0 393.537 5.269 50 0 GKAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000002774061 220562167 /nfs/dbraw/zinc/56/21/67/220562167.db2.gz OIDSDFVITXKIKM-IZZDOVSWSA-N 0 0 376.269 5.538 50 0 GKAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C)c(C)c1 ZINC000002765811 220563116 /nfs/dbraw/zinc/56/31/16/220563116.db2.gz MMCVALFFAFKYQD-UHFFFAOYSA-N 0 0 383.444 5.210 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccccc4)c(-c4ccccc4)n23)C1 ZINC000002691588 220552575 /nfs/dbraw/zinc/55/25/75/220552575.db2.gz SEJYCBRWCGVLCF-LJQANCHMSA-N 0 0 386.564 6.881 50 0 GKAARN COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3ccccc32)c1 ZINC000002691962 220552607 /nfs/dbraw/zinc/55/26/07/220552607.db2.gz RSJQFWXAXLDSJZ-UHFFFAOYSA-N 0 0 399.881 5.913 50 0 GKAARN Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1 ZINC000002688833 220552919 /nfs/dbraw/zinc/55/29/19/220552919.db2.gz HUSLOHIZGSASAT-UHFFFAOYSA-N 0 0 397.409 5.119 50 0 GKAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2ccccc2Cl)cc1 ZINC000032678904 208987460 /nfs/dbraw/zinc/98/74/60/208987460.db2.gz WTIGOAZODAHAAX-UHFFFAOYSA-N 0 0 392.930 5.459 50 0 GKAARN CC(=O)N(CC[C@@](C)(Cc1ccccc1)c1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000032095547 208987608 /nfs/dbraw/zinc/98/76/08/208987608.db2.gz VGNJTNVGNYGZFX-URXFXBBRSA-N 0 0 399.600 5.445 50 0 GKAARN CC[C@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000002721728 220556190 /nfs/dbraw/zinc/55/61/90/220556190.db2.gz QDDLRTIDUWNOAK-ZDUSSCGKSA-N 0 0 391.489 5.204 50 0 GKAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)Oc3ccc(C)c(C)c3)cc12 ZINC000064666349 209001658 /nfs/dbraw/zinc/00/16/58/209001658.db2.gz VJBXJNSVQOMAMN-UHFFFAOYSA-N 0 0 380.444 5.371 50 0 GKAARN Cc1ccccc1[C@@H]1c2ccccc2O[C@]2(c3ccccc3)[C@H]1C2(Cl)Cl ZINC000230070951 209003523 /nfs/dbraw/zinc/00/35/23/209003523.db2.gz VQHQHLXDOMVBQJ-BHIFYINESA-N 0 0 381.302 6.219 50 0 GKAARN O=C(/C=C/c1ccccc1)Nc1cc(-c2nc3ccccc3s2)ccc1Cl ZINC000002811393 220569871 /nfs/dbraw/zinc/56/98/71/220569871.db2.gz ZMYATJPQZUMJBP-JLHYYAGUSA-N 0 0 390.895 6.269 50 0 GKAARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cc(Cl)ccc1Cl ZINC000002812933 220570944 /nfs/dbraw/zinc/57/09/44/220570944.db2.gz QVKKOBCSIVYFFI-UHFFFAOYSA-N 0 0 398.702 5.341 50 0 GKAARN C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000003003785 220594687 /nfs/dbraw/zinc/59/46/87/220594687.db2.gz RNOYFCGTPAQMFA-MRXNPFEDSA-N 0 0 394.312 5.458 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014077424 209006273 /nfs/dbraw/zinc/00/62/73/209006273.db2.gz ARTNTPKRLLQXKM-QUCCMNQESA-N 0 0 390.449 5.258 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002852842 220575052 /nfs/dbraw/zinc/57/50/52/220575052.db2.gz WJKRMXIIUSSNJZ-GOSISDBHSA-N 0 0 390.552 6.588 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc1OC ZINC000002867764 220577176 /nfs/dbraw/zinc/57/71/76/220577176.db2.gz VJQITKIXPCLOJR-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000002909015 220580751 /nfs/dbraw/zinc/58/07/51/220580751.db2.gz XFCQNCVKRRFNAQ-UHFFFAOYSA-N 0 0 392.549 5.415 50 0 GKAARN CC(C)(C)c1cc(C(=O)Nc2nc(-c3ccccc3)ns2)cc(C(C)(C)C)c1 ZINC000002889420 220582093 /nfs/dbraw/zinc/58/20/93/220582093.db2.gz PVMGTTSXYSYFRO-UHFFFAOYSA-N 0 0 393.556 6.052 50 0 GKAARN Cc1cc(-n2c(=O)c3sccc3nc2SCc2ccccc2)ccc1Cl ZINC000002925034 220584494 /nfs/dbraw/zinc/58/44/94/220584494.db2.gz VXCFOIQKTPSKDS-UHFFFAOYSA-N 0 0 398.940 5.701 50 0 GKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2ccccc2F)cc1C ZINC000002925204 220585746 /nfs/dbraw/zinc/58/57/46/220585746.db2.gz NNCOBVDXICDGTP-UHFFFAOYSA-N 0 0 396.512 5.495 50 0 GKAARN O=C1CS[C@@H](c2ccccc2C(F)(F)F)N1c1ccc(Cl)c(Cl)c1 ZINC000002949731 220587340 /nfs/dbraw/zinc/58/73/40/220587340.db2.gz MEULBJNMRQWBGI-HNNXBMFYSA-N 0 0 392.229 5.791 50 0 GKAARN Cc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1 ZINC000002958067 220588317 /nfs/dbraw/zinc/58/83/17/220588317.db2.gz LZUYPCPTZUVXJR-UHFFFAOYSA-N 0 0 399.519 5.579 50 0 GKAARN Cc1cc(Br)cc(C)c1NC(=O)CSc1ccc(Cl)cc1 ZINC000002998052 220595194 /nfs/dbraw/zinc/59/51/94/220595194.db2.gz CILJNBZYWOQOFQ-UHFFFAOYSA-N 0 0 384.726 5.450 50 0 GKAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1C ZINC000002980848 220591899 /nfs/dbraw/zinc/59/18/99/220591899.db2.gz GQFBXWGXBDQLAR-UHFFFAOYSA-N 0 0 386.826 5.102 50 0 GKAARN CCOc1ccc(OCCCCOc2ccc(C)cc2Br)cc1 ZINC000002986942 220592966 /nfs/dbraw/zinc/59/29/66/220592966.db2.gz VAUMVWABGLVOJD-UHFFFAOYSA-N 0 0 379.294 5.394 50 0 GKAARN CCCOc1ccc(-c2ccc(-c3noc(-c4ccc(OC)cc4)n3)cc2)cc1 ZINC000002992185 220593291 /nfs/dbraw/zinc/59/32/91/220593291.db2.gz UIALFEKNWWPVAP-UHFFFAOYSA-N 0 0 386.451 5.868 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c3ccccc3sc21 ZINC000003032993 220598815 /nfs/dbraw/zinc/59/88/15/220598815.db2.gz ZZNKBSABEMJNFL-UHFFFAOYSA-N 0 0 399.928 5.537 50 0 GKAARN CC(C)CCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000003057915 220600705 /nfs/dbraw/zinc/60/07/05/220600705.db2.gz RARKLASBEQPEPV-UHFFFAOYSA-N 0 0 375.516 5.878 50 0 GKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(OC)cc1)c1c[nH]c2ccccc21 ZINC000003082260 220603862 /nfs/dbraw/zinc/60/38/62/220603862.db2.gz NHSKYJVZNZSOEY-FQEVSTJZSA-N 0 0 388.404 5.553 50 0 GKAARN Cc1ccc(OP(=O)(Nc2cc(C)ccc2C)Oc2ccc(C)cc2)cc1 ZINC000003123386 220604809 /nfs/dbraw/zinc/60/48/09/220604809.db2.gz UDPAHQNFNQHALF-UHFFFAOYSA-N 0 0 381.412 6.598 50 0 GKAARN OC(CSc1ccc(Br)cc1)(c1ccccc1)c1ccccc1 ZINC000003128200 220605654 /nfs/dbraw/zinc/60/56/54/220605654.db2.gz UZARFOHRHVNQSJ-UHFFFAOYSA-N 0 0 385.326 5.477 50 0 GKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCSc1ccccc1Cl ZINC000003261502 220616853 /nfs/dbraw/zinc/61/68/53/220616853.db2.gz PEZHFRUNLKVFLQ-UHFFFAOYSA-N 0 0 397.949 5.316 50 0 GKAARN Cc1ccc(-c2nn(-c3ccccc3)c3nc(C(C)(C)C)cc(C(C)(C)C)c23)cc1 ZINC000003344827 220631525 /nfs/dbraw/zinc/63/15/25/220631525.db2.gz YKJIVICYGPLYHL-UHFFFAOYSA-N 0 0 397.566 6.991 50 0 GKAARN Clc1ccccc1OCCSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003351298 220632102 /nfs/dbraw/zinc/63/21/02/220632102.db2.gz UOKXNIWWNCFUMV-UHFFFAOYSA-N 0 0 397.887 5.352 50 0 GKAARN Fc1ccc(-c2csc3ncnc(OCc4nc5ccccc5s4)c23)cc1 ZINC000003379106 220637002 /nfs/dbraw/zinc/63/70/02/220637002.db2.gz KMPNEBATHOCDAJ-UHFFFAOYSA-N 0 0 393.468 5.686 50 0 GKAARN Cc1ccc2cc(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)c(Cl)nc2c1 ZINC000003374303 220637414 /nfs/dbraw/zinc/63/74/14/220637414.db2.gz DORYYLXVBZRFQP-GFCCVEGCSA-N 0 0 385.916 5.740 50 0 GKAARN Cc1ccc2cc(COC(=O)c3cc4c(s3)CC[C@H](C)C4)c(Cl)nc2c1 ZINC000003374305 220638088 /nfs/dbraw/zinc/63/80/88/220638088.db2.gz DORYYLXVBZRFQP-LBPRGKRZSA-N 0 0 385.916 5.740 50 0 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221123608 /nfs/dbraw/zinc/12/36/08/221123608.db2.gz CMPJWWPZPQIISA-HEHNFIMWSA-N 0 0 394.855 5.127 50 0 GKAARN COc1ccc([C@H]2CCN(Cc3cccc(C)n3)c3ccccc3S2)cc1C ZINC000011783231 221124073 /nfs/dbraw/zinc/12/40/73/221124073.db2.gz HCZMXHJKAGMLRU-HSZRJFAPSA-N 0 0 390.552 5.951 50 0 GKAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011813963 221125874 /nfs/dbraw/zinc/12/58/74/221125874.db2.gz AULYLHNSIAOXBE-GOSISDBHSA-N 0 0 391.492 5.276 50 0 GKAARN COc1ccccc1OC1CCN(Cc2nc(-c3ccc(C)s3)oc2C)CC1 ZINC000011813721 221126230 /nfs/dbraw/zinc/12/62/30/221126230.db2.gz LAFOIWZBUPFRRJ-UHFFFAOYSA-N 0 0 398.528 5.072 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nc2ccccc2s1 ZINC000011807304 221126755 /nfs/dbraw/zinc/12/67/55/221126755.db2.gz KCJHLWBVGDGBMZ-UHFFFAOYSA-N 0 0 383.860 5.176 50 0 GKAARN CCc1ccc([C@H](NC(=O)/C=C/c2csc(C)n2)c2cccc(F)c2)cc1 ZINC000011807459 221126820 /nfs/dbraw/zinc/12/68/20/221126820.db2.gz SPUSDJNELMHBBQ-LEQVUBRHSA-N 0 0 380.488 5.072 50 0 GKAARN Cc1c([C@@H](C)NCc2c(F)cccc2Cl)cnn1-c1ccc(F)cc1F ZINC000011839755 221130668 /nfs/dbraw/zinc/13/06/68/221130668.db2.gz YPTSTCMTQAOLNX-LLVKDONJSA-N 0 0 379.813 5.102 50 0 GKAARN CC(C)(C)C1CCC2(C=Cc3cc4c(cc3O2)oc(=O)c2c4CCCC2)CC1 ZINC000011867370 221133325 /nfs/dbraw/zinc/13/33/25/221133325.db2.gz WFPLFBPZTHEACR-UHFFFAOYSA-N 0 0 378.512 6.053 50 0 GKAARN Cc1nc(SCc2c(Cl)cccc2Cl)[nH]c(=O)c1Cc1ccccc1 ZINC000011905600 221134483 /nfs/dbraw/zinc/13/44/83/221134483.db2.gz UNLNRUXYRIVCFO-UHFFFAOYSA-N 0 0 391.323 5.268 50 0 GKAARN COc1cc(Cl)c(NC(=O)c2sccc2-c2ccc(C)cc2)cc1OC ZINC000011067106 221110458 /nfs/dbraw/zinc/11/04/58/221110458.db2.gz HDKSYMQHKIFMBB-UHFFFAOYSA-N 0 0 387.888 5.646 50 0 GKAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000011140734 221111172 /nfs/dbraw/zinc/11/11/72/221111172.db2.gz VWQGGINWRQRAHP-UHFFFAOYSA-N 0 0 390.870 5.386 50 0 GKAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc[nH]c1=S ZINC000011173167 221112095 /nfs/dbraw/zinc/11/20/95/221112095.db2.gz HQQHGISXDQYJJE-UHFFFAOYSA-N 0 0 395.431 5.063 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011246793 221112789 /nfs/dbraw/zinc/11/27/89/221112789.db2.gz YHAHGJOZROYNKU-UHFFFAOYSA-N 0 0 375.815 5.309 50 0 GKAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc2ccccc2c1 ZINC000011326520 221114453 /nfs/dbraw/zinc/11/44/53/221114453.db2.gz WCIVXTZWKGOJBH-UHFFFAOYSA-N 0 0 378.378 5.344 50 0 GKAARN COc1cc(OC)c(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1Cl ZINC000011604638 221117626 /nfs/dbraw/zinc/11/76/26/221117626.db2.gz WLBSWIOVWBNAKM-UHFFFAOYSA-N 0 0 397.858 5.112 50 0 GKAARN O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1Br ZINC000011618733 221118551 /nfs/dbraw/zinc/11/85/51/221118551.db2.gz IKWVDPISEHTVRG-UHFFFAOYSA-N 0 0 381.273 5.167 50 0 GKAARN CC(C)c1nc(CNCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)cs1 ZINC000011663548 221120632 /nfs/dbraw/zinc/12/06/32/221120632.db2.gz NPLRNCPWWOMSPN-UHFFFAOYSA-N 0 0 388.540 5.613 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1 ZINC000011689805 221121628 /nfs/dbraw/zinc/12/16/28/221121628.db2.gz JEZLYBCFDTZBMV-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CC(C)N(C(=O)CSc1ccccn1)c1ccc(Nc2ccccc2)cc1 ZINC000011710269 221122389 /nfs/dbraw/zinc/12/23/89/221122389.db2.gz JGEGEYGVBQTJHE-UHFFFAOYSA-N 0 0 377.513 5.359 50 0 GKAARN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C ZINC000011916225 221136717 /nfs/dbraw/zinc/13/67/17/221136717.db2.gz WSGGXPADFHBEHR-KRWDZBQOSA-N 0 0 394.540 5.087 50 0 GKAARN O=C(CCc1ccco1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000012073287 221146124 /nfs/dbraw/zinc/14/61/24/221146124.db2.gz BIXGPZLRNXPWCU-DEOSSOPVSA-N 0 0 388.442 5.007 50 0 GKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccccc1Br ZINC000012062846 221146271 /nfs/dbraw/zinc/14/62/71/221146271.db2.gz JOUCSDTYXHUBFP-UHFFFAOYSA-N 0 0 390.302 5.255 50 0 GKAARN CCOC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000012082564 221148521 /nfs/dbraw/zinc/14/85/21/221148521.db2.gz PJJOJQBCCNGRBK-SNVBAGLBSA-N 0 0 378.906 5.055 50 0 GKAARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000012137451 221157883 /nfs/dbraw/zinc/15/78/83/221157883.db2.gz JSAUYAFYOZJLOI-QFIPXVFZSA-N 0 0 388.467 5.043 50 0 GKAARN CCN(CC)C(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000012138578 221157975 /nfs/dbraw/zinc/15/79/75/221157975.db2.gz QDZYNNMGIGEOED-UHFFFAOYSA-N 0 0 386.904 5.289 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1 ZINC000011916450 221136030 /nfs/dbraw/zinc/13/60/30/221136030.db2.gz DYJVGEOEXKNOKO-UHFFFAOYSA-N 0 0 378.453 5.147 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccc(F)c3)no2)cc1 ZINC000011916483 221136317 /nfs/dbraw/zinc/13/63/17/221136317.db2.gz ASJQIPNZVUFFDF-UHFFFAOYSA-N 0 0 390.414 5.225 50 0 GKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1)c1ccccn1 ZINC000011914680 221136416 /nfs/dbraw/zinc/13/64/16/221136416.db2.gz KSAACKWMOHWHKA-UHFFFAOYSA-N 0 0 389.842 5.237 50 0 GKAARN CC(C)Oc1ccc(CNC(=O)C[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000012296853 221175936 /nfs/dbraw/zinc/17/59/36/221175936.db2.gz JJQJNQYWVKIOIT-RUZDIDTESA-N 0 0 395.543 5.007 50 0 biogenic GKAARN CC(C)C[C@H](O)C1CCN(C(=O)c2ccc3nc(C4CCCCC4)oc3c2)CC1 ZINC000012304159 221178334 /nfs/dbraw/zinc/17/83/34/221178334.db2.gz FJBLYSKCNLNUSE-NRFANRHFSA-N 0 0 398.547 5.135 50 0 GKAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(F)cc1 ZINC000012312227 221179926 /nfs/dbraw/zinc/17/99/26/221179926.db2.gz XRKXBKRYIPTHTO-UHFFFAOYSA-N 0 0 390.483 5.393 50 0 GKAARN CN(C(=O)c1csc2nc(-c3ccccc3)cn12)[C@@H]1CCCc2ccccc21 ZINC000012317734 221181468 /nfs/dbraw/zinc/18/14/68/221181468.db2.gz WDJXRENTQYZYIG-HXUWFJFHSA-N 0 0 387.508 5.212 50 0 GKAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)CCC2 ZINC000012364901 221184636 /nfs/dbraw/zinc/18/46/36/221184636.db2.gz DNBBMHDVMLUNQA-GFCCVEGCSA-N 0 0 384.888 5.242 50 0 GKAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000012192407 221165358 /nfs/dbraw/zinc/16/53/58/221165358.db2.gz ZWGDBUNMHUYOIW-GGAORHGYSA-N 0 0 390.870 5.591 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000012192273 221165458 /nfs/dbraw/zinc/16/54/58/221165458.db2.gz JOIQBRFQJJMDPC-RSXGOPAZSA-N 0 0 398.506 6.025 50 0 GKAARN Cc1ccc(OCc2cc(C(=O)N(C)[C@H]3CCCc4ccccc43)no2)cc1C ZINC000012208284 221167410 /nfs/dbraw/zinc/16/74/10/221167410.db2.gz QOBDOPRBGWASNL-QHCPKHFHSA-N 0 0 390.483 5.020 50 0 GKAARN C[C@H](c1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)on1)c1ccccc1 ZINC000012209887 221167988 /nfs/dbraw/zinc/16/79/88/221167988.db2.gz UVGVMXLYLNVJNI-SFHVURJKSA-N 0 0 384.479 5.027 50 0 GKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(F)c2)cc1 ZINC000012420659 221191673 /nfs/dbraw/zinc/19/16/73/221191673.db2.gz INSVWROLWVFFJE-VWLOTQADSA-N 0 0 386.470 5.463 50 0 biogenic,in-vitro GKAARN CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)no1)C12CC3CC(CC(C3)C1)C2 ZINC000012418769 221191892 /nfs/dbraw/zinc/19/18/92/221191892.db2.gz VUHZFPWYYGSQGI-QQWWJFKRSA-N 0 0 394.515 5.075 50 0 GKAARN CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000012436843 221193920 /nfs/dbraw/zinc/19/39/20/221193920.db2.gz FLZLXKGNMOQKKM-AOYPEHQESA-N 0 0 398.506 6.026 50 0 GKAARN CN(Cc1ccc(F)cc1)C(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000012445197 221197297 /nfs/dbraw/zinc/19/72/97/221197297.db2.gz IHYOBSORJIFUDS-UHFFFAOYSA-N 0 0 399.878 5.128 50 0 GKAARN Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccc(N3CCCC3)cc2)c2ccccc2)c1 ZINC000012525719 221200977 /nfs/dbraw/zinc/20/09/77/221200977.db2.gz BYRIAVBCLNBPBP-VWLOTQADSA-N 0 0 399.538 5.696 50 0 GKAARN CC(C)(C)c1nc2cc(NC(=O)c3ccc(F)cc3Br)ccc2[nH]1 ZINC000012519864 221201468 /nfs/dbraw/zinc/20/14/68/221201468.db2.gz YBEBLNYHDMTYML-UHFFFAOYSA-N 0 0 390.256 5.014 50 0 GKAARN O=C(CSc1nccn1-c1ccccc1)Nc1ccccc1-c1ccccc1 ZINC000012535889 221202515 /nfs/dbraw/zinc/20/25/15/221202515.db2.gz XHMGIOPLWPIUQL-UHFFFAOYSA-N 0 0 385.492 5.270 50 0 GKAARN COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2cccc(Cl)c2)nc1C ZINC000012535209 221203108 /nfs/dbraw/zinc/20/31/08/221203108.db2.gz MNMVMFUWDFUVNI-UHFFFAOYSA-N 0 0 377.831 5.040 50 0 GKAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000012529863 221203347 /nfs/dbraw/zinc/20/33/47/221203347.db2.gz MEFYXGXCBDLLFL-IBGZPJMESA-N 0 0 399.469 5.053 50 0 GKAARN CCc1cccc(CC)c1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000012549693 221204454 /nfs/dbraw/zinc/20/44/54/221204454.db2.gz XKXWKDWFPGJJOW-UHFFFAOYSA-N 0 0 389.524 5.369 50 0 GKAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012555000 221207208 /nfs/dbraw/zinc/20/72/08/221207208.db2.gz WRVMAIWGWRUPQH-LLVKDONJSA-N 0 0 382.813 5.287 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccco3)c(-c3nc4ccccc4[nH]3)cc12 ZINC000012578923 221209439 /nfs/dbraw/zinc/20/94/39/221209439.db2.gz XLZYWAZXZJVSRJ-UHFFFAOYSA-N 0 0 391.434 5.532 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(F)c(Cl)c3)c3cc(O)ccc3o2)cc1 ZINC000012374170 221186654 /nfs/dbraw/zinc/18/66/54/221186654.db2.gz LQRWQOFNBCEHHY-LKUDQCMESA-N 0 0 395.817 5.839 50 0 GKAARN Cc1ccc2oc(-c3ccccc3)c/c(=N/c3ccc(Br)cc3)c2c1 ZINC000012374307 221186694 /nfs/dbraw/zinc/18/66/94/221186694.db2.gz JOCHDTFVSZYEQZ-GFMRDNFCSA-N 0 0 390.280 6.403 50 0 GKAARN COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1Cl ZINC000012371683 221186791 /nfs/dbraw/zinc/18/67/91/221186791.db2.gz RCBAKNAJPDQLRS-HNNXBMFYSA-N 0 0 399.899 5.463 50 0 GKAARN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000012407323 221188912 /nfs/dbraw/zinc/18/89/12/221188912.db2.gz PAQGRYHKAHDOPT-QHCPKHFHSA-N 0 0 395.462 5.026 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000012391524 221189033 /nfs/dbraw/zinc/18/90/33/221189033.db2.gz MUINZSHUGAUOBA-UHFFFAOYSA-N 0 0 398.443 5.322 50 0 GKAARN COc1ccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1Cl ZINC000012406918 221189335 /nfs/dbraw/zinc/18/93/35/221189335.db2.gz NREAXTNBDKRXAD-UHFFFAOYSA-N 0 0 383.860 5.001 50 0 GKAARN Cc1ccc(Oc2ccccc2NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 ZINC000012600037 221212402 /nfs/dbraw/zinc/21/24/02/221212402.db2.gz JXHCYMQCDCQFEO-UHFFFAOYSA-N 0 0 379.431 5.723 50 0 GKAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccccc3OC)c(C)o2)cc1C ZINC000012596211 221213402 /nfs/dbraw/zinc/21/34/02/221213402.db2.gz ZGTHYSWEKKPLCZ-NRFANRHFSA-N 0 0 392.499 5.313 50 0 GKAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012612069 221214057 /nfs/dbraw/zinc/21/40/57/221214057.db2.gz UPEVRTXFNGRXEN-OAHLLOKOSA-N 0 0 394.525 5.034 50 0 GKAARN C[C@@H](Nc1nc(-c2ccc(CNC(=O)C(C)(C)C)s2)cs1)c1ccccc1 ZINC000012622366 221215449 /nfs/dbraw/zinc/21/54/49/221215449.db2.gz JNLCUKDZNQBJDH-CQSZACIVSA-N 0 0 399.585 5.707 50 0 GKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000012623105 221215519 /nfs/dbraw/zinc/21/55/19/221215519.db2.gz ZGGQWRHVRVKJFH-LEOXJPRUSA-N 0 0 394.511 5.514 50 0 GKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)c1 ZINC000012635037 221216659 /nfs/dbraw/zinc/21/66/59/221216659.db2.gz GYTZCKSTRJXQRU-UHFFFAOYSA-N 0 0 387.508 5.373 50 0 GKAARN Cc1c(NC(=O)C2(c3ccccc3)CCCC2)cccc1-c1nc2ncccc2o1 ZINC000012651768 221216794 /nfs/dbraw/zinc/21/67/94/221216794.db2.gz NMDJCGNBNVDLHI-UHFFFAOYSA-N 0 0 397.478 5.649 50 0 GKAARN c1sc(-c2ccccc2)nc1CSc1nc2ccccc2n1-c1ccccc1 ZINC000012635372 221217172 /nfs/dbraw/zinc/21/71/72/221217172.db2.gz LVYOOKHLEBDJBM-UHFFFAOYSA-N 0 0 399.544 6.441 50 0 GKAARN O=C(CCSc1ccc(C(F)(F)F)cn1)Nc1c(Cl)cccc1Cl ZINC000012636006 221217236 /nfs/dbraw/zinc/21/72/36/221217236.db2.gz MVDNFDUQYPHKLL-UHFFFAOYSA-N 0 0 395.233 5.528 50 0 GKAARN CCOC(=O)c1ccc2c(c1)nc(COc1cc(C)ccc1C(C)C)n2CC ZINC000012659234 221217589 /nfs/dbraw/zinc/21/75/89/221217589.db2.gz RPNYMVKIFSGLQR-UHFFFAOYSA-N 0 0 380.488 5.244 50 0 GKAARN O=C(Nc1ccc(F)cc1Cl)c1ccc(SCc2cscn2)cc1 ZINC000012735983 221222402 /nfs/dbraw/zinc/22/24/02/221222402.db2.gz GVZPMRYWNYNIBP-UHFFFAOYSA-N 0 0 378.881 5.480 50 0 GKAARN CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cnc21 ZINC000012745417 221223260 /nfs/dbraw/zinc/22/32/60/221223260.db2.gz FCARZQGXNKPPGO-UHFFFAOYSA-N 0 0 397.891 5.041 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000012746125 221223330 /nfs/dbraw/zinc/22/33/30/221223330.db2.gz FDCNUUDTZNBPHM-JTQLQIEISA-N 0 0 392.311 5.311 50 0 GKAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1cccc(Cl)c1 ZINC000012797291 221233639 /nfs/dbraw/zinc/23/36/39/221233639.db2.gz MJXOLLLKTWLCCC-LBPRGKRZSA-N 0 0 399.903 5.091 50 0 GKAARN Cc1cccc(C)c1NC(=O)CN[C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000012755349 221225647 /nfs/dbraw/zinc/22/56/47/221225647.db2.gz RQTGKUNIXOWOEG-XMMPIXPASA-N 0 0 392.568 5.806 50 0 GKAARN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1OC(C)C ZINC000012764494 221227681 /nfs/dbraw/zinc/22/76/81/221227681.db2.gz LFMXWNQGCUAWIX-KRWDZBQOSA-N 0 0 396.512 5.069 50 0 GKAARN CC(=O)Nc1cccc(NC(=O)c2oc3c(cc(Cl)cc3Cl)c2C)c1 ZINC000012770452 221229553 /nfs/dbraw/zinc/22/95/53/221229553.db2.gz CENMGWBLQVGULI-UHFFFAOYSA-N 0 0 377.227 5.259 50 0 GKAARN COc1ccc(CN(Cc2nc(C(C)(C)C)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000012777654 221230166 /nfs/dbraw/zinc/23/01/66/221230166.db2.gz MJTMPUPCAMDIDP-INIZCTEOSA-N 0 0 399.560 5.071 50 0 GKAARN COc1ccccc1[C@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012784409 221231340 /nfs/dbraw/zinc/23/13/40/221231340.db2.gz BAJCUDDHZVUNSH-JTSKRJEESA-N 0 0 377.509 5.406 50 0 GKAARN O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCc2ccccc21 ZINC000012785280 221231900 /nfs/dbraw/zinc/23/19/00/221231900.db2.gz ZNECWQFANNUCNW-UHFFFAOYSA-N 0 0 385.492 5.058 50 0 GKAARN CC(C)(C)CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000012785576 221231904 /nfs/dbraw/zinc/23/19/04/221231904.db2.gz GVTSTRJTLRUYQH-GOSISDBHSA-N 0 0 389.421 5.224 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000012798281 221233465 /nfs/dbraw/zinc/23/34/65/221233465.db2.gz IFWYGSBLDGIGFC-UHFFFAOYSA-N 0 0 393.830 5.047 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)c2ccccc2Cl)o1 ZINC000012902155 221244058 /nfs/dbraw/zinc/24/40/58/221244058.db2.gz RYFXAVRMHKSOAQ-RYUDHWBXSA-N 0 0 378.856 5.855 50 0 GKAARN C/C=C/c1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(OC)c1OC ZINC000012903782 221244353 /nfs/dbraw/zinc/24/43/53/221244353.db2.gz WOLKFDVJXLRHAR-SNAWJCMRSA-N 0 0 380.469 5.113 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012904606 221244358 /nfs/dbraw/zinc/24/43/58/221244358.db2.gz VFQXSEMYAFVOFU-GOSISDBHSA-N 0 0 384.545 5.238 50 0 GKAARN Cc1nc2ccccc2nc1S[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000012906329 221244360 /nfs/dbraw/zinc/24/43/60/221244360.db2.gz MCGTWXZXDGBFOG-GFCCVEGCSA-N 0 0 391.418 5.076 50 0 GKAARN CCCC(=O)Nc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000012805458 221234522 /nfs/dbraw/zinc/23/45/22/221234522.db2.gz HHLXRQJZHACUMZ-UHFFFAOYSA-N 0 0 393.512 5.038 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)c(C)c1 ZINC000012807771 221234729 /nfs/dbraw/zinc/23/47/29/221234729.db2.gz IIRZDDRHXYGPHH-UHFFFAOYSA-N 0 0 391.500 5.005 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000012807292 221235222 /nfs/dbraw/zinc/23/52/22/221235222.db2.gz FBLIGHFCQIWITA-UHFFFAOYSA-N 0 0 378.497 5.378 50 0 GKAARN C[C@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cccs1 ZINC000012804514 221235257 /nfs/dbraw/zinc/23/52/57/221235257.db2.gz REZQZELXVOINJC-HNNXBMFYSA-N 0 0 377.465 5.564 50 0 GKAARN COc1cccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)c1OC(F)F ZINC000012814696 221236156 /nfs/dbraw/zinc/23/61/56/221236156.db2.gz XKVDYKMAKMBLAP-ACCUITESSA-N 0 0 393.389 6.275 50 0 GKAARN Cc1ccc([C@H]2OC(c3ccc(F)cc3)=Nc3cc4c(cc32)OCCO4)cc1 ZINC000012854829 221238405 /nfs/dbraw/zinc/23/84/05/221238405.db2.gz ACHMRKXRPCRRGT-JOCHJYFZSA-N 0 0 375.399 5.103 50 0 GKAARN O=C(/C=C/c1cccc2cccnc12)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000012875551 221239750 /nfs/dbraw/zinc/23/97/50/221239750.db2.gz PBOBNUSWETYYBL-DHZHZOJOSA-N 0 0 390.826 5.300 50 0 GKAARN CCOc1ccc(-c2nc(CSc3nnc(NC(C)C)s3)cs2)cc1 ZINC000012885123 221241151 /nfs/dbraw/zinc/24/11/51/221241151.db2.gz CUDBNBKBJMFNRO-UHFFFAOYSA-N 0 0 392.575 5.173 50 0 GKAARN CN(Cc1c(F)cccc1Cl)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918034 221245962 /nfs/dbraw/zinc/24/59/62/221245962.db2.gz AMYCGADOGKMWGQ-LJQANCHMSA-N 0 0 399.893 5.018 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2ccc(C(C)(C)C)cc2)o1 ZINC000012926103 221247015 /nfs/dbraw/zinc/24/70/15/221247015.db2.gz USWWDSLJGQRESE-AWEZNQCLSA-N 0 0 386.492 5.939 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CS[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000012922188 221247137 /nfs/dbraw/zinc/24/71/37/221247137.db2.gz NYZGWNAPPJXJGF-KRWDZBQOSA-N 0 0 380.513 5.527 50 0 GKAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1OC[C@H]1CCCO1 ZINC000012925178 221247273 /nfs/dbraw/zinc/24/72/73/221247273.db2.gz MNMVENIZIGDYPJ-CYBMUJFWSA-N 0 0 399.796 5.169 50 0 GKAARN Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](C)Sc4ccccc43)cc2)n1 ZINC000012938150 221249156 /nfs/dbraw/zinc/24/91/56/221249156.db2.gz SQONCITYVIFCFV-QGZVFWFLSA-N 0 0 377.513 5.020 50 0 GKAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000012941499 221249451 /nfs/dbraw/zinc/24/94/51/221249451.db2.gz HVHMKSGKQPXECG-UHFFFAOYSA-N 0 0 387.892 5.193 50 0 GKAARN CC(C)[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1cccs1 ZINC000012943347 221249488 /nfs/dbraw/zinc/24/94/88/221249488.db2.gz HNJHDTJSZWZDNJ-IBGZPJMESA-N 0 0 382.533 5.078 50 0 GKAARN COc1cc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012971040 221250049 /nfs/dbraw/zinc/25/00/49/221250049.db2.gz JWUSFUSPJKXYHR-UHFFFAOYSA-N 0 0 399.450 5.404 50 0 GKAARN COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(Cl)c1OC(C)C ZINC000012974832 221251297 /nfs/dbraw/zinc/25/12/97/221251297.db2.gz NWDNWLYXYQYYQE-ZDUSSCGKSA-N 0 0 387.863 5.373 50 0 GKAARN Cc1cccc(NC(=O)[C@H](C)SCCCC(=O)Nc2c(C)cccc2C)c1 ZINC000012973384 221251449 /nfs/dbraw/zinc/25/14/49/221251449.db2.gz RYRXEBDVCJEPRG-SFHVURJKSA-N 0 0 384.545 5.091 50 0 GKAARN Clc1ccc(C2=NNC(c3ccccc3)=C(c3nc4ccccc4[nH]3)C2)cc1 ZINC000012981401 221252066 /nfs/dbraw/zinc/25/20/66/221252066.db2.gz BDYORUGSGXQWCC-UHFFFAOYSA-N 0 0 384.870 5.686 50 0 GKAARN O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(F)cc1Br ZINC000013002446 221255056 /nfs/dbraw/zinc/25/50/56/221255056.db2.gz BCIKFDBCHARJPX-UHFFFAOYSA-N 0 0 378.241 5.162 50 0 GKAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cccc(Cl)c1 ZINC000012919361 221245892 /nfs/dbraw/zinc/24/58/92/221245892.db2.gz VNUFURWAAYSCDL-LJQANCHMSA-N 0 0 388.945 5.049 50 0 GKAARN Cc1ccc(Cn2ccc(NC(=S)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000013330870 221264943 /nfs/dbraw/zinc/26/49/43/221264943.db2.gz INHDGSXPKYRDMR-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN Cc1scc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C)c1C ZINC000013330627 221265411 /nfs/dbraw/zinc/26/54/11/221265411.db2.gz SFMSGCYAZZRCRY-UHFFFAOYSA-N 0 0 383.464 5.472 50 0 GKAARN CCc1ccc(NC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000013365741 221267155 /nfs/dbraw/zinc/26/71/55/221267155.db2.gz ZUFAXASUNBWODL-UHFFFAOYSA-N 0 0 384.439 5.610 50 0 GKAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc(C)cc1Cl ZINC000013331487 221265580 /nfs/dbraw/zinc/26/55/80/221265580.db2.gz FYJUQKJHYDZLGU-UHFFFAOYSA-N 0 0 382.895 5.462 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Br)cc1 ZINC000013321262 221265631 /nfs/dbraw/zinc/26/56/31/221265631.db2.gz PRRKSTWQLPIHGJ-UHFFFAOYSA-N 0 0 377.282 5.399 50 0 GKAARN CCn1c(SCc2ccccc2C)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000013326497 221265643 /nfs/dbraw/zinc/26/56/43/221265643.db2.gz SZVKRTVNKGNVSR-UHFFFAOYSA-N 0 0 378.328 5.873 50 0 GKAARN CCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCCCC1 ZINC000013350548 221265796 /nfs/dbraw/zinc/26/57/96/221265796.db2.gz JPVFRRRCOUOBKS-UHFFFAOYSA-N 0 0 398.934 5.320 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000013346863 221266130 /nfs/dbraw/zinc/26/61/30/221266130.db2.gz DVZFGDKFAZWXQF-UHFFFAOYSA-N 0 0 393.899 6.569 50 0 GKAARN Cc1cc(F)ccc1N[C@H](c1nnc(-c2ccccc2F)o1)c1ccccc1 ZINC000013364410 221266800 /nfs/dbraw/zinc/26/68/00/221266800.db2.gz SOEJNCHRXQJRQF-FQEVSTJZSA-N 0 0 377.394 5.525 50 0 GKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364361 221266905 /nfs/dbraw/zinc/26/69/05/221266905.db2.gz MEGZJPBNHMLHSZ-HXUWFJFHSA-N 0 0 375.859 5.900 50 0 GKAARN Cc1ccc(COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC000013020549 221257549 /nfs/dbraw/zinc/25/75/49/221257549.db2.gz GMYRAZGDAMIKJE-UHFFFAOYSA-N 0 0 384.431 5.434 50 0 GKAARN COc1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000013012185 221258283 /nfs/dbraw/zinc/25/82/83/221258283.db2.gz OBYMDMFYYZSMBW-HNNXBMFYSA-N 0 0 398.553 5.388 50 0 GKAARN COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1Cl ZINC000013012516 221258353 /nfs/dbraw/zinc/25/83/53/221258353.db2.gz LKTRTMWGVZNURK-UHFFFAOYSA-N 0 0 395.286 5.239 50 0 GKAARN COc1ccc(Cn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000013030732 221259204 /nfs/dbraw/zinc/25/92/04/221259204.db2.gz NWTAYISFBMAJCR-FQEVSTJZSA-N 0 0 398.550 6.444 50 0 GKAARN Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000013040986 221259313 /nfs/dbraw/zinc/25/93/13/221259313.db2.gz UFNMFOAXVMEHBY-UHFFFAOYSA-N 0 0 399.494 5.179 50 0 GKAARN Cc1ccccc1Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(F)cc1 ZINC000013039580 221259434 /nfs/dbraw/zinc/25/94/34/221259434.db2.gz JMKXSNGMOMNMRL-KRWDZBQOSA-N 0 0 387.458 5.023 50 0 GKAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(C)c3)ccc2n1-c1ccccc1 ZINC000013068950 221260462 /nfs/dbraw/zinc/26/04/62/221260462.db2.gz APJGASPFUVUHPG-KRWDZBQOSA-N 0 0 384.483 5.081 50 0 GKAARN Cc1ccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC000013137378 221262675 /nfs/dbraw/zinc/26/26/75/221262675.db2.gz PBAPCKBBUZMFGA-UHFFFAOYSA-N 0 0 391.323 5.284 50 0 GKAARN Cc1c(CC(=O)c2ccccc2)c(C)c(-c2ccccc2)nc1-c1ccccc1 ZINC000013281341 221263623 /nfs/dbraw/zinc/26/36/23/221263623.db2.gz VZOQFYHXJUWHSM-UHFFFAOYSA-N 0 0 377.487 6.458 50 0 GKAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)c2c(n1)onc2-c1ccccc1 ZINC000013641746 221278340 /nfs/dbraw/zinc/27/83/40/221278340.db2.gz FFSNGTPCTKNSBU-OAQYLSRUSA-N 0 0 397.478 5.566 50 0 GKAARN CC(C)C(=O)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370094 221268374 /nfs/dbraw/zinc/26/83/74/221268374.db2.gz JCVFCTBMSCZQQG-UXHICEINSA-N 0 0 398.595 5.547 50 0 biogenic GKAARN CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000013564149 221273124 /nfs/dbraw/zinc/27/31/24/221273124.db2.gz FCQRKKONHTZKCW-KNQAVFIVSA-N 0 0 382.891 5.169 50 0 GKAARN Cc1cccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)c1C ZINC000013757122 221287989 /nfs/dbraw/zinc/28/79/89/221287989.db2.gz COMNEHBRHJLNDJ-LNVKXUELSA-N 0 0 380.582 6.603 50 0 GKAARN C[C@]1(c2ccc(Br)cc2)Nc2ccccc2-c2nc3ccccc3n21 ZINC000013770867 221288133 /nfs/dbraw/zinc/28/81/33/221288133.db2.gz KOBHJKRBDOCFQL-NRFANRHFSA-N 0 0 390.284 5.612 50 0 GKAARN CC(C)Oc1ccc([C@@H](CC(=O)N(C)[C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000013656254 221279878 /nfs/dbraw/zinc/27/98/78/221279878.db2.gz ZTVFIDQCBDXENJ-CTNGQTDRSA-N 0 0 375.553 5.020 50 0 GKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc2ncccc21 ZINC000013683467 221280850 /nfs/dbraw/zinc/28/08/50/221280850.db2.gz LTWIEPCNSKDSPI-UHFFFAOYSA-N 0 0 379.872 5.193 50 0 GKAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)(C)C)c3cc(C)ccc3C)cc2c1 ZINC000013750399 221287327 /nfs/dbraw/zinc/28/73/27/221287327.db2.gz WVHLUVDQCLAEED-UHFFFAOYSA-N 0 0 376.500 5.033 50 0 GKAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000013961300 221294110 /nfs/dbraw/zinc/29/41/10/221294110.db2.gz QXRYLYWFXVYNGW-NRFANRHFSA-N 0 0 390.531 5.216 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 ZINC000013946170 221294563 /nfs/dbraw/zinc/29/45/63/221294563.db2.gz DXXJYNPOVPYSLC-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN Cc1c(-c2ccc(C)c(C)c2)nn(Cc2ccccc2C)c1-c1ccc(C)c(C)c1 ZINC000013960732 221294856 /nfs/dbraw/zinc/29/48/56/221294856.db2.gz SCNATUKFBGTCBO-UHFFFAOYSA-N 0 0 394.562 7.116 50 0 GKAARN Cc1c(-c2ccc(F)cc2)nn(-c2ccc(C)c(Cl)c2)c1-c1ccc(F)cc1 ZINC000013960807 221294880 /nfs/dbraw/zinc/29/48/80/221294880.db2.gz AHIFKQLPUIQADV-UHFFFAOYSA-N 0 0 394.852 6.755 50 0 GKAARN COc1ccc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000013972440 221294883 /nfs/dbraw/zinc/29/48/83/221294883.db2.gz RQVSDOZAILCVOU-UHFFFAOYSA-N 0 0 390.464 5.233 50 0 GKAARN CCCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1csc(C)c1 ZINC000013998977 221295077 /nfs/dbraw/zinc/29/50/77/221295077.db2.gz DJXYVBWMEUOGLM-UHFFFAOYSA-N 0 0 398.384 6.324 50 0 GKAARN c1cc(-c2nc(CSc3nc(C4CC4)n(-c4ccccc4)n3)cs2)cs1 ZINC000014023100 221297652 /nfs/dbraw/zinc/29/76/52/221297652.db2.gz SOZXXORNFYBNDE-UHFFFAOYSA-N 0 0 396.566 5.622 50 0 GKAARN Clc1c(OCCCOC2=NN(c3ccccc3)CC2)ccc2ccccc21 ZINC000014083966 221298938 /nfs/dbraw/zinc/29/89/38/221298938.db2.gz VXTWMGGPFXNANI-UHFFFAOYSA-N 0 0 380.875 5.503 50 0 GKAARN COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)c1cccs1)c1ccccc1 ZINC000014140823 221300512 /nfs/dbraw/zinc/30/05/12/221300512.db2.gz VZUSLPCOKBKDGQ-HRAATJIYSA-N 0 0 380.513 5.096 50 0 GKAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccc2OC(F)F)n1 ZINC000014595346 221311734 /nfs/dbraw/zinc/31/17/34/221311734.db2.gz SOIRPEKVVPQPPX-UHFFFAOYSA-N 0 0 399.422 5.454 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)n2)cc1C ZINC000014496765 221310785 /nfs/dbraw/zinc/31/07/85/221310785.db2.gz YTSJPYPOCJTWOH-UHFFFAOYSA-N 0 0 391.496 5.028 50 0 GKAARN CC[C@@H](C)[C@H](C(=O)Nc1ccccc1I)c1ccccc1 ZINC000014429541 221310896 /nfs/dbraw/zinc/31/08/96/221310896.db2.gz HVPYSNIAZCPNFO-DYVFJYSZSA-N 0 0 393.268 5.060 50 0 GKAARN CCc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000014609532 221313636 /nfs/dbraw/zinc/31/36/36/221313636.db2.gz ZJODCCNNICFERQ-UHFFFAOYSA-N 0 0 382.467 5.057 50 0 GKAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000014668897 221314704 /nfs/dbraw/zinc/31/47/04/221314704.db2.gz NCNWEAWKXHQVAZ-LJQANCHMSA-N 0 0 375.468 5.023 50 0 GKAARN CCCCN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccccc1 ZINC000014709848 221314746 /nfs/dbraw/zinc/31/47/46/221314746.db2.gz SNDRNHCYMAKUBJ-UHFFFAOYSA-N 0 0 391.490 5.337 50 0 GKAARN Cc1cc(F)ccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000014785759 221317343 /nfs/dbraw/zinc/31/73/43/221317343.db2.gz ZEOZBYINXPTNRW-UHFFFAOYSA-N 0 0 392.455 5.820 50 0 GKAARN Fc1ccc(-c2cnc(SCc3csc(-c4ccc(F)cc4)n3)o2)cc1 ZINC000014803635 221317701 /nfs/dbraw/zinc/31/77/01/221317701.db2.gz NMBRDKQWBWIINU-UHFFFAOYSA-N 0 0 386.448 6.036 50 0 GKAARN CCOc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)C(C)C)C2 ZINC000014882073 221317848 /nfs/dbraw/zinc/31/78/48/221317848.db2.gz YCCPUHUVVFMWTA-UHFFFAOYSA-N 0 0 395.524 5.344 50 0 GKAARN Cc1ccsc1C(=O)N(Cc1cccc(OCc2ccccc2F)c1)C1CC1 ZINC000014887531 221319163 /nfs/dbraw/zinc/31/91/63/221319163.db2.gz GCFDGYYEZXNQEV-UHFFFAOYSA-N 0 0 395.499 5.579 50 0 GKAARN Cc1cc(Br)ccc1NC(=O)c1c(C)c(Cl)c(C)nc1Cl ZINC000015107063 221332552 /nfs/dbraw/zinc/33/25/52/221332552.db2.gz JPTPRONVRFRMFN-UHFFFAOYSA-N 0 0 388.092 5.328 50 0 GKAARN Cc1cnccc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000015078855 221332637 /nfs/dbraw/zinc/33/26/37/221332637.db2.gz USEJDICZVDZTDY-NRFANRHFSA-N 0 0 378.903 5.224 50 0 GKAARN Clc1ccc(-c2noc(CN(Cc3ccco3)Cc3ccccc3)n2)cc1 ZINC000015482906 221336624 /nfs/dbraw/zinc/33/66/24/221336624.db2.gz HCSBGFBCKPLQCP-UHFFFAOYSA-N 0 0 379.847 5.185 50 0 GKAARN CC(C)Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000015016181 221325806 /nfs/dbraw/zinc/32/58/06/221325806.db2.gz WSIWAJCXUOXHOJ-NFBKMPQASA-N 0 0 390.508 5.778 50 0 GKAARN O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccccc1 ZINC000015012029 221326090 /nfs/dbraw/zinc/32/60/90/221326090.db2.gz WTNQYAAHEUBWRX-LDADJPATSA-N 0 0 381.840 5.841 50 0 GKAARN Cc1nc(NCc2ccsc2)sc1-c1ccn(Cc2cccc(F)c2)n1 ZINC000015005913 221326763 /nfs/dbraw/zinc/32/67/63/221326763.db2.gz SKHFCDNWWKYLAS-UHFFFAOYSA-N 0 0 384.505 5.176 50 0 GKAARN COc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1Br ZINC000015017919 221327015 /nfs/dbraw/zinc/32/70/15/221327015.db2.gz HPNVMQAASVHCIE-GKCIPKSASA-N 0 0 388.305 5.401 50 0 GKAARN COc1ccc(-c2nc(CN3CCn4cccc4[C@H]3C)c(C)o2)c2ccccc12 ZINC000015063979 221327854 /nfs/dbraw/zinc/32/78/54/221327854.db2.gz BDCAXJSUCWASML-MRXNPFEDSA-N 0 0 387.483 5.190 50 0 GKAARN Cc1c([C@@H](C)NC(=O)Nc2ccccc2C)cnn1-c1cccc2ccccc21 ZINC000015069207 221330228 /nfs/dbraw/zinc/33/02/28/221330228.db2.gz PNQQDKKTYVATPV-QGZVFWFLSA-N 0 0 384.483 5.525 50 0 GKAARN Cc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)Nc1ccccc1 ZINC000015671412 221339391 /nfs/dbraw/zinc/33/93/91/221339391.db2.gz QLRPRPDFULJHBY-UHFFFAOYSA-N 0 0 397.482 5.009 50 0 GKAARN Cc1ccc(-n2ncc(C(=O)Nc3cc(Cl)ccc3C)c2-n2cccc2)cc1 ZINC000015681310 221339719 /nfs/dbraw/zinc/33/97/19/221339719.db2.gz BARSLGSMCVRRMF-UHFFFAOYSA-N 0 0 390.874 5.186 50 0 GKAARN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NC1CCCC1 ZINC000015678323 221339975 /nfs/dbraw/zinc/33/99/75/221339975.db2.gz YQRQYJKAZZGSDM-UHFFFAOYSA-N 0 0 380.919 5.334 50 0 GKAARN CCOc1ccccc1OCC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000015710573 221341464 /nfs/dbraw/zinc/34/14/64/221341464.db2.gz SZEPLSCZWFSWAE-UHFFFAOYSA-N 0 0 397.858 5.549 50 0 GKAARN FC(F)(F)c1cccc(COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733456 221342798 /nfs/dbraw/zinc/34/27/98/221342798.db2.gz IBMMZYJYJSTCBT-UHFFFAOYSA-N 0 0 396.368 6.001 50 0 GKAARN CCOc1ccc(-c2nc(CNC(=O)Nc3cc(Cl)ccc3C)c(C)o2)cc1 ZINC000015774861 221344248 /nfs/dbraw/zinc/34/42/48/221344248.db2.gz SLBWVRRQAUHTLY-UHFFFAOYSA-N 0 0 399.878 5.332 50 0 GKAARN Cc1c(C[NH2+][C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000015776949 221344443 /nfs/dbraw/zinc/34/44/43/221344443.db2.gz BCPQCFPPQSKQOI-HNNXBMFYSA-N 0 0 396.918 5.356 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785107 221345474 /nfs/dbraw/zinc/34/54/74/221345474.db2.gz WRCKUHFUCPJNGW-UHFFFAOYSA-N 0 0 396.805 5.548 50 0 GKAARN CCOc1cc(C(=O)Nc2ccc(F)c(Cl)c2)nc2ccc(Cl)cc21 ZINC000015829202 221346570 /nfs/dbraw/zinc/34/65/70/221346570.db2.gz SIIJOEAZWBFGJW-UHFFFAOYSA-N 0 0 379.218 5.332 50 0 GKAARN Cc1csc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)n1 ZINC000015830267 221346634 /nfs/dbraw/zinc/34/66/34/221346634.db2.gz WRZHFDHQRGOJDW-SFHVURJKSA-N 0 0 398.329 5.570 50 0 GKAARN Cc1cccc(OCCSc2nc3ccc(NC(=O)C(C)C)cc3s2)c1 ZINC000015832806 221346949 /nfs/dbraw/zinc/34/69/49/221346949.db2.gz GCYVLGVUAXBHBZ-UHFFFAOYSA-N 0 0 386.542 5.370 50 0 GKAARN CC(C)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 ZINC000015838610 221347067 /nfs/dbraw/zinc/34/70/67/221347067.db2.gz AGSNDXOGTWGPMJ-UHFFFAOYSA-N 0 0 384.273 5.501 50 0 GKAARN COc1cccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000015835508 221347204 /nfs/dbraw/zinc/34/72/04/221347204.db2.gz YBUJIURDSNYHTH-OAQYLSRUSA-N 0 0 376.481 5.100 50 0 GKAARN Cc1c(C)n(-c2cccc(C)c2C)c2ncn3nc(-c4cccc(C)c4)nc3c12 ZINC000015842315 221347662 /nfs/dbraw/zinc/34/76/62/221347662.db2.gz HJXYRTMMSMLAIX-UHFFFAOYSA-N 0 0 381.483 5.277 50 0 GKAARN Cc1cc(N2CCCCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000015839970 221347697 /nfs/dbraw/zinc/34/76/97/221347697.db2.gz RLXZSMWNIGTIDO-UHFFFAOYSA-N 0 0 392.400 5.243 50 0 GKAARN CCCCOc1ccc(NC(=O)COc2ccc(C)c(C)c2)c2cccnc12 ZINC000015841123 221347744 /nfs/dbraw/zinc/34/77/44/221347744.db2.gz ICDICENKVVYGOS-UHFFFAOYSA-N 0 0 378.472 5.048 50 0 GKAARN CCCOc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c2cccnc12 ZINC000015840979 221347755 /nfs/dbraw/zinc/34/77/55/221347755.db2.gz NAPLPGYUKDVGDU-UHFFFAOYSA-N 0 0 384.863 5.003 50 0 GKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000015840209 221347798 /nfs/dbraw/zinc/34/77/98/221347798.db2.gz RXSUTQMSMKYJOA-UHFFFAOYSA-N 0 0 397.569 5.352 50 0 GKAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3Nc2ccccc2)cc1 ZINC000015840007 221348001 /nfs/dbraw/zinc/34/80/01/221348001.db2.gz ZDZKTAIXBOZMII-UHFFFAOYSA-N 0 0 382.389 5.776 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c2cccnc12 ZINC000015841116 221348069 /nfs/dbraw/zinc/34/80/69/221348069.db2.gz XQHQXFSRYHYCLB-GOSISDBHSA-N 0 0 392.499 5.437 50 0 GKAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 ZINC000015840799 221348158 /nfs/dbraw/zinc/34/81/58/221348158.db2.gz KBDJBWPFTTVYCR-HNNXBMFYSA-N 0 0 398.890 5.310 50 0 GKAARN COc1ccc(-c2cc(Nc3ccc(Oc4ccccc4)cc3)nc(C)n2)cc1 ZINC000015859142 221348889 /nfs/dbraw/zinc/34/88/89/221348889.db2.gz LEZQCGUVVIETEL-UHFFFAOYSA-N 0 0 383.451 5.997 50 0 GKAARN Cc1cc(NC(=O)N2CCCCC[C@H]2c2cccs2)ccc1Br ZINC000015867116 221349695 /nfs/dbraw/zinc/34/96/95/221349695.db2.gz KBJOEJABEVCWHV-INIZCTEOSA-N 0 0 393.350 5.968 50 0 GKAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000015863836 221349911 /nfs/dbraw/zinc/34/99/11/221349911.db2.gz SCHBZOMWWFNUQC-UHFFFAOYSA-N 0 0 389.886 5.264 50 0 GKAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1 ZINC000015867386 221350260 /nfs/dbraw/zinc/35/02/60/221350260.db2.gz MKEPVYYTUDNQBC-UHFFFAOYSA-N 0 0 385.847 5.189 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881132 221350865 /nfs/dbraw/zinc/35/08/65/221350865.db2.gz MGPOVRHCNAIALT-UHFFFAOYSA-N 0 0 387.479 5.540 50 0 GKAARN CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)cc2Cl)o1 ZINC000015881552 221351011 /nfs/dbraw/zinc/35/10/11/221351011.db2.gz AVBGDZIPWQXHEG-UHFFFAOYSA-N 0 0 386.282 6.170 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc4cc(C)ccc4n3)cc2)c1 ZINC000015868530 221351188 /nfs/dbraw/zinc/35/11/88/221351188.db2.gz SDEBMKHHDULNTK-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(OCc2cscn2)c1 ZINC000016205263 221358610 /nfs/dbraw/zinc/35/86/10/221358610.db2.gz ZWFGFOZBTHIMFQ-UHFFFAOYSA-N 0 0 398.487 5.546 50 0 GKAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1Cl ZINC000016347450 221361029 /nfs/dbraw/zinc/36/10/29/221361029.db2.gz MNLRMGIPLFYGSG-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)n1 ZINC000016362439 221362325 /nfs/dbraw/zinc/36/23/25/221362325.db2.gz PFLSKUAWUKGXBC-LJQANCHMSA-N 0 0 383.373 5.180 50 0 GKAARN O=C(Nc1ccc2c(c1)OCO2)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000016450712 221363585 /nfs/dbraw/zinc/36/35/85/221363585.db2.gz GVZAFLCWZHGACZ-LDADJPATSA-N 0 0 377.827 5.248 50 0 GKAARN O=C(NCCOc1cccc2ccccc21)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000016478800 221363674 /nfs/dbraw/zinc/36/36/74/221363674.db2.gz AECQWJDFBMGECZ-VWLOTQADSA-N 0 0 395.502 5.361 50 0 GKAARN CC(C)C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000016470805 221363928 /nfs/dbraw/zinc/36/39/28/221363928.db2.gz QHWGXHYJCDGEPA-SFHVURJKSA-N 0 0 389.421 5.028 50 0 GKAARN O=C(NCCOc1cccc2ccccc21)[C@H](Cc1ccccc1)c1ccccc1 ZINC000016478803 221364083 /nfs/dbraw/zinc/36/40/83/221364083.db2.gz AECQWJDFBMGECZ-RUZDIDTESA-N 0 0 395.502 5.361 50 0 GKAARN Cc1nnc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)s1 ZINC000016734315 221369101 /nfs/dbraw/zinc/36/91/01/221369101.db2.gz JNTUORAVHGWHHN-UHFFFAOYSA-N 0 0 378.693 5.274 50 0 GKAARN c1nnc2c(Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc3ccccc3n12 ZINC000016545206 221364732 /nfs/dbraw/zinc/36/47/32/221364732.db2.gz DWQIKQVAGYVFNI-UHFFFAOYSA-N 0 0 395.510 5.489 50 0 GKAARN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccnc1Cl ZINC000016545313 221364829 /nfs/dbraw/zinc/36/48/29/221364829.db2.gz AXDYUOLOEPZWIY-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000016545334 221365294 /nfs/dbraw/zinc/36/52/94/221365294.db2.gz SGSOAJLLTXWHLZ-UHFFFAOYSA-N 0 0 386.495 6.040 50 0 GKAARN CCCCOc1cc2ccc(-c3ccc(OC)c(OC)c3)c(O)c2cc1OC ZINC000016639138 221366522 /nfs/dbraw/zinc/36/65/22/221366522.db2.gz FJUGRBXGMMGTNN-UHFFFAOYSA-N 0 0 382.456 5.417 50 0 GKAARN CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000016017224 221355015 /nfs/dbraw/zinc/35/50/15/221355015.db2.gz IJQPAEHMPHWILB-ONNFQVAWSA-N 0 0 377.271 5.240 50 0 GKAARN Cc1ccc(C)c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC000016020411 221355174 /nfs/dbraw/zinc/35/51/74/221355174.db2.gz VXPBBDZQJHODJY-UHFFFAOYSA-N 0 0 388.492 5.989 50 0 GKAARN COc1ccc(NC2=NC(=S)N(c3ccccc3C)C23CCCCC3)cc1 ZINC000017241842 221381789 /nfs/dbraw/zinc/38/17/89/221381789.db2.gz HBSOMCWNALBONB-UHFFFAOYSA-N 0 0 379.529 5.322 50 0 GKAARN CCCCN(C)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2)n1 ZINC000017270219 221382336 /nfs/dbraw/zinc/38/23/36/221382336.db2.gz XNXQHYOAFAXQKA-UHFFFAOYSA-N 0 0 386.503 5.104 50 0 GKAARN CC[C@@H](C)Nc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000017268810 221382666 /nfs/dbraw/zinc/38/26/66/221382666.db2.gz AOUDTQXOGQEFHE-CQSZACIVSA-N 0 0 392.894 5.423 50 0 GKAARN COc1cc(OC)c(NC(=O)c2sc(-c3ccccc3)nc2C)cc1Cl ZINC000017343422 221383516 /nfs/dbraw/zinc/38/35/16/221383516.db2.gz WCKASIACXWDASR-UHFFFAOYSA-N 0 0 388.876 5.041 50 0 GKAARN Cc1nc(-c2ccc(CCNC(=O)c3oc4ccccc4c3C)s2)cs1 ZINC000016719048 221369361 /nfs/dbraw/zinc/36/93/61/221369361.db2.gz ZPEPJWKJULZSMT-UHFFFAOYSA-N 0 0 382.510 5.207 50 0 GKAARN CC(C)(C)c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000016739881 221369735 /nfs/dbraw/zinc/36/97/35/221369735.db2.gz UVKBUYFUZSPWCA-XMMPIXPASA-N 0 0 388.942 6.993 50 0 GKAARN O=C(Oc1ccc(Cl)c2cccnc12)c1cccc(OCc2cscn2)c1 ZINC000016707663 221369842 /nfs/dbraw/zinc/36/98/42/221369842.db2.gz QSWVKOLRFABXOY-UHFFFAOYSA-N 0 0 396.855 5.143 50 0 GKAARN Cc1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)c(Cl)c1 ZINC000016841043 221372287 /nfs/dbraw/zinc/37/22/87/221372287.db2.gz NNAADSVDJZSILT-UHFFFAOYSA-N 0 0 393.295 5.688 50 0 GKAARN O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(F)c(F)c1 ZINC000016841024 221372537 /nfs/dbraw/zinc/37/25/37/221372537.db2.gz XGFCIUAWZILPEV-UHFFFAOYSA-N 0 0 380.803 5.004 50 0 GKAARN COc1ccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1 ZINC000017076933 221375865 /nfs/dbraw/zinc/37/58/65/221375865.db2.gz LJCUOAHAQUOZTA-UHFFFAOYSA-N 0 0 376.406 5.552 50 0 GKAARN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000017076890 221376208 /nfs/dbraw/zinc/37/62/08/221376208.db2.gz WPMAEQSUSQHVPH-GECLUEIRSA-N 0 0 375.940 5.137 50 0 GKAARN Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CC(C)C)cc3)n2)cc1 ZINC000017042740 221376360 /nfs/dbraw/zinc/37/63/60/221376360.db2.gz VNEUIWXQCVVFHF-UHFFFAOYSA-N 0 0 389.503 5.565 50 0 GKAARN S=C(NCCCc1ccccc1)Nc1ccc(Br)cc1Cl ZINC000017078385 221377282 /nfs/dbraw/zinc/37/72/82/221377282.db2.gz TXPPGDSILDIQNI-UHFFFAOYSA-N 0 0 383.742 5.022 50 0 GKAARN COc1ccc(-c2cc(C(=O)Nc3nc(C4CCCCC4)cs3)no2)cc1 ZINC000017078302 221377565 /nfs/dbraw/zinc/37/75/65/221377565.db2.gz FEHVBPIJBWUZRT-UHFFFAOYSA-N 0 0 383.473 5.107 50 0 GKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccccc3F)n2)cc1C ZINC000017078519 221377644 /nfs/dbraw/zinc/37/76/44/221377644.db2.gz AXDYZODCZZAIGV-UHFFFAOYSA-N 0 0 384.498 6.638 50 0 GKAARN FC(F)(F)c1ccccc1N1C(=S)N=NC1CSCc1ccccc1 ZINC000017077953 221377649 /nfs/dbraw/zinc/37/76/49/221377649.db2.gz PEHOAZBVXYUWKI-UHFFFAOYSA-N 0 0 381.448 5.008 50 0 GKAARN Cc1c(-c2cccc(C)c2)nn(-c2ccc(C)c(Cl)c2)c1-c1cccc(C)c1 ZINC000017079027 221377879 /nfs/dbraw/zinc/37/78/79/221377879.db2.gz XTFPWPLGUHDTBW-UHFFFAOYSA-N 0 0 386.926 7.093 50 0 GKAARN C[C@H](NC(=S)Nc1ccn(Cc2cccc3ccccc32)n1)c1ccccc1 ZINC000017078978 221378014 /nfs/dbraw/zinc/37/80/14/221378014.db2.gz LCGOSYNEIDBGOP-KRWDZBQOSA-N 0 0 386.524 5.132 50 0 GKAARN CC[C@@H](C)N(C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)[C@H](C)CC ZINC000017080746 221378502 /nfs/dbraw/zinc/37/85/02/221378502.db2.gz HWDHGGPBSNQTHI-IAGOWNOFSA-N 0 0 394.946 6.594 50 0 GKAARN Cc1nn(Cn2nc(-c3ccc(C)cc3)cc2-c2ccc(C)cc2)c(C)c1Cl ZINC000017079845 221378571 /nfs/dbraw/zinc/37/85/71/221378571.db2.gz KXKSCDWVCVYCQU-UHFFFAOYSA-N 0 0 390.918 5.806 50 0 GKAARN CCc1ccccc1-n1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccc(F)cc1 ZINC000017080724 221378789 /nfs/dbraw/zinc/37/87/89/221378789.db2.gz OZGQXBNPNPLPKX-UHFFFAOYSA-N 0 0 394.852 6.700 50 0 GKAARN Cc1[nH]c2ccc(C(=O)O[C@H](C)c3nnc(-c4ccc(C)cc4)o3)cc2c1C ZINC000017725518 221385062 /nfs/dbraw/zinc/38/50/62/221385062.db2.gz UMVWHPFHACSDSV-OAHLLOKOSA-N 0 0 375.428 5.061 50 0 GKAARN O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 ZINC000017992721 221385589 /nfs/dbraw/zinc/38/55/89/221385589.db2.gz TVKUNMSQSOAJAT-MTNREXPMSA-N 0 0 395.458 5.659 50 0 GKAARN COc1ccc(CSc2ccnc(SCc3ccc(OC)cc3)n2)cc1 ZINC000019074865 221395691 /nfs/dbraw/zinc/39/56/91/221395691.db2.gz NQNGFNUQQGUOHL-UHFFFAOYSA-N 0 0 384.526 5.078 50 0 GKAARN CCCCCCOc1ccccc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000019738596 221448421 /nfs/dbraw/zinc/44/84/21/221448421.db2.gz GDUQTXFLPJUQFE-HSZRJFAPSA-N 0 0 383.532 5.816 50 0 GKAARN c1ccc(OCCOc2cccc(NCc3ccc(-c4ccccc4)cc3)c2)cc1 ZINC000019738397 221449053 /nfs/dbraw/zinc/44/90/53/221449053.db2.gz PIXKMWQZNHOVCY-UHFFFAOYSA-N 0 0 395.502 6.424 50 0 GKAARN c1ccc(CSC2=NNc3c4ccccc4n(Cc4ccccc4)c3N2)cc1 ZINC000020095024 221471045 /nfs/dbraw/zinc/47/10/45/221471045.db2.gz LBVTUSJACRCNEZ-UHFFFAOYSA-N 0 0 384.508 5.731 50 0 GKAARN CCCC1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1 ZINC000020105396 221471747 /nfs/dbraw/zinc/47/17/47/221471747.db2.gz IOLRTLIPGFVZAL-UHFFFAOYSA-N 0 0 380.536 5.217 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccc(Br)cc1 ZINC000019879409 221461402 /nfs/dbraw/zinc/46/14/02/221461402.db2.gz IRADSKWXOJBRMS-NRFANRHFSA-N 0 0 392.300 5.835 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 ZINC000020604219 221503049 /nfs/dbraw/zinc/50/30/49/221503049.db2.gz LVHJETAUPQKIAH-UHFFFAOYSA-N 0 0 375.444 5.202 50 0 GKAARN O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1ccccc1Cl ZINC000020728208 221510342 /nfs/dbraw/zinc/51/03/42/221510342.db2.gz GLSMMFMGAAIORJ-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN COc1cccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000020852862 221513428 /nfs/dbraw/zinc/51/34/28/221513428.db2.gz MLJUUIQYQWCQNL-FQEVSTJZSA-N 0 0 375.403 5.086 50 0 GKAARN Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc3ccccc3[nH]2)c1 ZINC000020599888 221501032 /nfs/dbraw/zinc/50/10/32/221501032.db2.gz BNNIWYSEUIWEMI-AREMUKBSSA-N 0 0 393.490 5.503 50 0 GKAARN Fc1ccc(-c2nn(-c3ccc(F)cc3F)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017428 221524725 /nfs/dbraw/zinc/52/47/25/221524725.db2.gz ZBXUHBGDBIZBBN-UHFFFAOYSA-N 0 0 393.343 5.797 50 0 GKAARN Clc1cccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)c1 ZINC000020852528 221513982 /nfs/dbraw/zinc/51/39/82/221513982.db2.gz SHBUZEANNGATGG-LJQANCHMSA-N 0 0 396.277 6.245 50 0 GKAARN Cc1ccc(CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)cc1 ZINC000020895229 221518186 /nfs/dbraw/zinc/51/81/86/221518186.db2.gz FGHGNKAFXROBRJ-UHFFFAOYSA-N 0 0 396.562 6.211 50 0 GKAARN COCCCN(C(=S)Nc1cc(Cl)cc(Cl)c1)[C@@H](C)c1ccccn1 ZINC000003047524 533276262 /nfs/dbraw/zinc/27/62/62/533276262.db2.gz RTIANQTZDMRLOC-ZDUSSCGKSA-N 0 0 398.359 5.185 50 0 GKAARN COc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1-c1ccccc1 ZINC000064907447 533285394 /nfs/dbraw/zinc/28/53/94/533285394.db2.gz AROJTNWFXANJMV-OAHLLOKOSA-N 0 0 381.422 5.474 50 0 GKAARN COc1cc(C)c(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1OC ZINC000008723915 533581229 /nfs/dbraw/zinc/58/12/29/533581229.db2.gz FKKPDRFNJLGJJI-UHFFFAOYSA-N 0 0 391.895 5.115 50 0 GKAARN COc1cccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 ZINC000003217102 533603915 /nfs/dbraw/zinc/60/39/15/533603915.db2.gz UNNQHQMAKWEVEG-UHFFFAOYSA-N 0 0 397.515 5.086 50 0 GKAARN Cc1cc(/C=C2\c3ccccc3C(=O)N(c3ccccc3C)C2=O)cc(C)c1O ZINC000039486726 132391523 /nfs/dbraw/zinc/39/15/23/132391523.db2.gz HXNFUTIOZQVUQW-KGENOOAVSA-N 0 0 383.447 5.045 50 0 GKAARN O=C(c1csc(-c2ccsc2)n1)N1CCSc2ccc(Cl)cc21 ZINC000040071144 132394193 /nfs/dbraw/zinc/39/41/93/132394193.db2.gz CWQRZRKIFFJTNB-UHFFFAOYSA-N 0 0 378.931 5.278 50 0 GKAARN Cc1cccc(N2CCN(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)c1 ZINC000040096303 132395591 /nfs/dbraw/zinc/39/55/91/132395591.db2.gz GRUPOIFMMZZYHT-UHFFFAOYSA-N 0 0 379.548 5.596 50 0 GKAARN FC(F)(F)c1ccc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc1 ZINC000040135257 132399547 /nfs/dbraw/zinc/39/95/47/132399547.db2.gz NDRQCULYPWXVQF-UHFFFAOYSA-N 0 0 381.785 5.279 50 0 GKAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC4CCCCCC4)ccc32)c1 ZINC000046078642 132426068 /nfs/dbraw/zinc/42/60/68/132426068.db2.gz FZWCXJURBKCGED-UHFFFAOYSA-N 0 0 390.527 5.041 50 0 GKAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1cc(C)ccc1C ZINC000064459709 136156747 /nfs/dbraw/zinc/15/67/47/136156747.db2.gz JAVFALIUXRWHTR-CQSZACIVSA-N 0 0 394.544 5.105 50 0 GKAARN CC(C)c1nc2ccc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc2o1 ZINC000064968411 136158378 /nfs/dbraw/zinc/15/83/78/136158378.db2.gz FGFRPUDUZHMXKF-UHFFFAOYSA-N 0 0 377.488 5.440 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025749 136158828 /nfs/dbraw/zinc/15/88/28/136158828.db2.gz GHLDJDZCRYFZCK-UHFFFAOYSA-N 0 0 392.890 5.040 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1 ZINC000065025520 136158867 /nfs/dbraw/zinc/15/88/67/136158867.db2.gz QENQAAVMHZKYFT-UHFFFAOYSA-N 0 0 392.890 5.040 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(-c3cnc(N4CCCCC4)nc3)cc2)cc1C ZINC000065025510 136158872 /nfs/dbraw/zinc/15/88/72/136158872.db2.gz AHVYCDZMFKPYHI-UHFFFAOYSA-N 0 0 386.499 5.003 50 0 GKAARN Cc1cccc(NC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)c1C ZINC000065029738 136158974 /nfs/dbraw/zinc/15/89/74/136158974.db2.gz QTLLNLXEQAONOM-UHFFFAOYSA-N 0 0 392.478 5.625 50 0 GKAARN Clc1ccc([C@H]2CN(c3ccc(-c4ccccc4)nn3)CCO2)cc1Cl ZINC000072431095 136170125 /nfs/dbraw/zinc/17/01/25/136170125.db2.gz SBJOVQLQTCLLTN-LJQANCHMSA-N 0 0 386.282 5.028 50 0 GKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(F)c(F)c1)CO3 ZINC000002113445 136193240 /nfs/dbraw/zinc/19/32/40/136193240.db2.gz YSYMZTPHQNYAHL-UHFFFAOYSA-N 0 0 391.373 5.095 50 0 biogenic GKAARN C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)C[C@@H](C)O1 ZINC000001773058 136193296 /nfs/dbraw/zinc/19/32/96/136193296.db2.gz PWHRZTGMZUBLNF-CHWSQXEVSA-N 0 0 388.298 5.217 50 0 GKAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccccc1Cl)CO3 ZINC000002112526 136193309 /nfs/dbraw/zinc/19/33/09/136193309.db2.gz KKQNVZNSBWSFIV-UHFFFAOYSA-N 0 0 389.838 5.470 50 0 biogenic GKAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(c1ccc(C(C)(C)C)cc1)CO3 ZINC000002159401 136193350 /nfs/dbraw/zinc/19/33/50/136193350.db2.gz BHGVGFAIWXNFKX-UHFFFAOYSA-N 0 0 377.484 5.372 50 0 biogenic GKAARN Cc1cccc(C(C)C)c1N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 ZINC000002123773 136193414 /nfs/dbraw/zinc/19/34/14/136193414.db2.gz ARZRBYBOKOROQH-UHFFFAOYSA-N 0 0 375.468 5.070 50 0 biogenic GKAARN CN(CC(=O)N1c2ccccc2Sc2ccccc21)Cc1cccc(F)c1 ZINC000003325566 136193542 /nfs/dbraw/zinc/19/35/42/136193542.db2.gz PICYMBGFCQEZMB-UHFFFAOYSA-N 0 0 378.472 5.087 50 0 GKAARN O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCCc2ccccc21 ZINC000003255648 136193594 /nfs/dbraw/zinc/19/35/94/136193594.db2.gz VFBFNXWXWFVBBE-UHFFFAOYSA-N 0 0 393.939 6.225 50 0 GKAARN CN1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2Cl)CC1 ZINC000004499238 136193890 /nfs/dbraw/zinc/19/38/90/136193890.db2.gz MUIDVQFFIMNAMA-UHFFFAOYSA-N 0 0 387.314 5.037 50 0 GKAARN CCCCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 ZINC000004843921 136194115 /nfs/dbraw/zinc/19/41/15/136194115.db2.gz SGQZTNHOANUETL-NQIIRXRSSA-N 0 0 378.516 5.172 50 0 GKAARN O=C(Nc1ccccc1N1CCCCC1)c1cc(Br)ccc1Cl ZINC000003236207 136196506 /nfs/dbraw/zinc/19/65/06/136196506.db2.gz QQKRZPZSVAXJDB-UHFFFAOYSA-N 0 0 393.712 5.345 50 0 GKAARN Cc1ccccc1NC=C1C(=O)N(c2ccc(Cl)cc2)C(=O)c2ccccc21 ZINC000102942224 136196586 /nfs/dbraw/zinc/19/65/86/136196586.db2.gz HXFBIRNMVUOIJF-XSFVSMFZSA-N 0 0 388.854 5.288 50 0 GKAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1C(F)(F)F ZINC000012607272 136200642 /nfs/dbraw/zinc/20/06/42/136200642.db2.gz HYFOJPSNLXLOKG-UHFFFAOYSA-N 0 0 399.416 5.496 50 0 GKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(c1ccccc1)C(=O)N2 ZINC000012892888 136200745 /nfs/dbraw/zinc/20/07/45/136200745.db2.gz CYCXIRWFQZEPNZ-JOCHJYFZSA-N 0 0 380.451 5.322 50 0 GKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320483 136201042 /nfs/dbraw/zinc/20/10/42/136201042.db2.gz SNDBTZJPCSNOEN-SNVBAGLBSA-N 0 0 386.776 5.871 50 0 GKAARN O=C(NCCc1c[nH]c2ccccc12)N1c2ccccc2Sc2ccccc21 ZINC000013574301 136201048 /nfs/dbraw/zinc/20/10/48/136201048.db2.gz LFIIHCCUNLXVQA-UHFFFAOYSA-N 0 0 385.492 5.723 50 0 GKAARN O=C(NCc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 ZINC000013574468 136201296 /nfs/dbraw/zinc/20/12/96/136201296.db2.gz VMXRUZTXBPZAHS-UHFFFAOYSA-N 0 0 382.488 6.352 50 0 GKAARN CCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 ZINC000013764426 136201365 /nfs/dbraw/zinc/20/13/65/136201365.db2.gz HXXKPCAKCVVJQG-YQIFXUADSA-N 0 0 398.550 6.477 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1N1CCCCC1 ZINC000014771509 136201600 /nfs/dbraw/zinc/20/16/00/136201600.db2.gz UKPGQYNDRWNBCM-UHFFFAOYSA-N 0 0 393.462 5.042 50 0 GKAARN COc1cccc(/N=c2\ssc3c2-c2ccc(C)cc2N(C)C3(C)C)c1 ZINC000018058701 136202177 /nfs/dbraw/zinc/20/21/77/136202177.db2.gz FNPUBSXMZLODFX-XDOYNYLZSA-N 0 0 382.554 5.711 50 0 GKAARN COc1cc(COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)cc(OC)c1 ZINC000017245679 136202193 /nfs/dbraw/zinc/20/21/93/136202193.db2.gz ADFHOSYLQRXKQX-QGZVFWFLSA-N 0 0 392.499 5.067 50 0 GKAARN FC(F)(F)c1cccc(COc2cccc3ccc(N4CCCCC4)nc32)c1 ZINC000017170705 136202200 /nfs/dbraw/zinc/20/22/00/136202200.db2.gz MRFWKKSCKPTILQ-UHFFFAOYSA-N 0 0 386.417 5.823 50 0 GKAARN Cc1cccc(C(=O)Nc2cc3c4c(c2)[C@H]2CCC[C@H]2CN4C[C@H]2CCC[C@@H]32)c1 ZINC000018158116 136202294 /nfs/dbraw/zinc/20/22/94/136202294.db2.gz KSSSRFZOZNQEAX-ZIEJVCCYSA-N 0 0 386.539 5.848 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000022504881 136203924 /nfs/dbraw/zinc/20/39/24/136203924.db2.gz ZPAYTBACIMHHJI-UHFFFAOYSA-N 0 0 385.467 5.232 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257349381 209080308 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CCOc1ccc(-c2cc(C(=O)Nc3ccc(SC(F)F)cc3)no2)cc1 ZINC000027580006 221655355 /nfs/dbraw/zinc/65/53/55/221655355.db2.gz WTVGLQFZAIVYJZ-UHFFFAOYSA-N 0 0 390.411 5.307 50 0 GKAARN CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCOC(C)(C)C1)Cc1ccccc1 ZINC000027666479 221658184 /nfs/dbraw/zinc/65/81/84/221658184.db2.gz ZBCGKASJFUFLGS-AREMUKBSSA-N 0 0 393.571 5.651 50 0 GKAARN O=C(Nc1cccc2ccccc21)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 ZINC000027756139 221659285 /nfs/dbraw/zinc/65/92/85/221659285.db2.gz ZRBHKMPDRLPUAI-UHFFFAOYSA-N 0 0 384.218 5.505 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027992717 221665379 /nfs/dbraw/zinc/66/53/79/221665379.db2.gz QXIPMTMRWRAPDO-UHFFFAOYSA-N 0 0 397.228 5.411 50 0 GKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1 ZINC000028286916 221672419 /nfs/dbraw/zinc/67/24/19/221672419.db2.gz DQAULYQDONCONR-UHFFFAOYSA-N 0 0 391.427 5.059 50 0 GKAARN CCCOc1cc2sc(NC(=O)c3ccc(C)cc3)nc2c2cccnc12 ZINC000028291189 221674698 /nfs/dbraw/zinc/67/46/98/221674698.db2.gz 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COc1cccc(Oc2ccc(-c3ccc(C(=O)Nc4ccccc4)cc3)nn2)c1 ZINC000033130907 221774004 /nfs/dbraw/zinc/77/40/04/221774004.db2.gz FGXAEFCBFBWANK-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)nn1 ZINC000033130866 221774600 /nfs/dbraw/zinc/77/46/00/221774600.db2.gz BPCFCNOXVNEQHJ-UHFFFAOYSA-N 0 0 397.434 5.197 50 0 GKAARN CC(C)(C)c1nc2cc(NC(=O)/C=C/c3c(Cl)nc4ccccn43)ccc2o1 ZINC000033215583 221777069 /nfs/dbraw/zinc/77/70/69/221777069.db2.gz GWXMCBCGWVLRAA-CSKARUKUSA-N 0 0 394.862 5.078 50 0 GKAARN COc1ccc(C)cc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000033267800 221782182 /nfs/dbraw/zinc/78/21/82/221782182.db2.gz DUNIGYBKNAUBLK-HXUWFJFHSA-N 0 0 399.494 5.439 50 0 GKAARN O=C(NCCC1=CCCCC1)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000033279085 221782743 /nfs/dbraw/zinc/78/27/43/221782743.db2.gz IIJGGAZUYSLASQ-UHFFFAOYSA-N 0 0 391.446 5.163 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000033312222 221785868 /nfs/dbraw/zinc/78/58/68/221785868.db2.gz CRWGYJQZHJJPFA-UHFFFAOYSA-N 0 0 379.529 6.188 50 0 GKAARN CSc1cccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)c1 ZINC000033300989 221786587 /nfs/dbraw/zinc/78/65/87/221786587.db2.gz BJGGEHLAZGVKLL-UHFFFAOYSA-N 0 0 389.571 5.322 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(Cl)c2F)s1 ZINC000033312257 221786705 /nfs/dbraw/zinc/78/67/05/221786705.db2.gz GGZSIYUHLZAIBQ-UHFFFAOYSA-N 0 0 389.883 5.802 50 0 GKAARN Cc1nc(-c2cc3ccc(C)cc3nc2NCc2cccc(C(F)(F)F)c2)no1 ZINC000033331502 221789790 /nfs/dbraw/zinc/78/97/90/221789790.db2.gz JHUQSOPRZTVWSR-UHFFFAOYSA-N 0 0 398.388 5.533 50 0 GKAARN COc1cc(OC)c(OC)cc1/C=C\c1nc2cc(-c3ccccc3)ccc2o1 ZINC000033499655 221792359 /nfs/dbraw/zinc/79/23/59/221792359.db2.gz QTLMFXYXYCIKIL-BENRWUELSA-N 0 0 387.435 5.691 50 0 GKAARN O=C(C=Cc1cccc(Cl)c1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000033634741 221795144 /nfs/dbraw/zinc/79/51/44/221795144.db2.gz CEMYLFORROXLBY-FLIBITNWSA-N 0 0 388.850 5.351 50 0 GKAARN CCCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)OCc1ccccc1 ZINC000034795858 221805097 /nfs/dbraw/zinc/80/50/97/221805097.db2.gz SRQWSUKDNARVSC-UHFFFAOYSA-N 0 0 391.515 6.075 50 0 GKAARN COc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)NC(C)(C)C)nc3c2)c1 ZINC000034908629 221808602 /nfs/dbraw/zinc/80/86/02/221808602.db2.gz WLYJHJKQFSNBQB-IBGZPJMESA-N 0 0 393.487 5.148 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2ccccc2OC)nc2cc(C)ccn21)c1ccccc1 ZINC000034912683 221809677 /nfs/dbraw/zinc/80/96/77/221809677.db2.gz HJRVMYQMKSCVLM-IBGZPJMESA-N 0 0 399.494 5.451 50 0 GKAARN CCc1ccc(C(=O)Nc2c(-c3ccccc3OC)nc3cc(C)ccn32)cc1 ZINC000034912676 221810133 /nfs/dbraw/zinc/81/01/33/221810133.db2.gz BYXHMYPPEJMWDR-UHFFFAOYSA-N 0 0 385.467 5.133 50 0 GKAARN Cc1sc2ccccc2c1[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)sc21 ZINC000035324861 221819157 /nfs/dbraw/zinc/81/91/57/221819157.db2.gz CEFCQNLIJFKKKE-HNNXBMFYSA-N 0 0 391.521 5.884 50 0 GKAARN COc1cccc(Cn2c(C(=O)N[C@H](C)c3ccccc3)cc3ccsc32)c1 ZINC000035843887 221834199 /nfs/dbraw/zinc/83/41/99/221834199.db2.gz VICORQFZDYYTOU-MRXNPFEDSA-N 0 0 390.508 5.251 50 0 GKAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000035980727 221837346 /nfs/dbraw/zinc/83/73/46/221837346.db2.gz LICSSJDJYWLTQK-UHFFFAOYSA-N 0 0 389.499 5.089 50 0 GKAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1cccc(C)c1 ZINC000036114757 221844442 /nfs/dbraw/zinc/84/44/42/221844442.db2.gz ODTVBMUWFPGFEJ-UHFFFAOYSA-N 0 0 394.540 5.391 50 0 GKAARN CCc1cc(Oc2cccc(C)c2C)nc(SCc2c(F)cccc2F)n1 ZINC000036350154 221853478 /nfs/dbraw/zinc/85/34/78/221853478.db2.gz NXDXXEVXBKJWMW-UHFFFAOYSA-N 0 0 386.467 6.019 50 0 GKAARN CCc1cc(Oc2ccc(C(C)C)cc2)nc(SCc2ccccc2F)n1 ZINC000036349864 221853673 /nfs/dbraw/zinc/85/36/73/221853673.db2.gz CVMWOGSCABTIQH-UHFFFAOYSA-N 0 0 382.504 6.386 50 0 GKAARN CC(=O)c1ccc(Oc2cc(C(C)C)nc(SCc3cccc(F)c3)n2)cc1 ZINC000036349713 221854105 /nfs/dbraw/zinc/85/41/05/221854105.db2.gz FRRPHSPYRRWEHG-UHFFFAOYSA-N 0 0 396.487 6.026 50 0 GKAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(-c3ccc(C)cc3)c(O)cc21 ZINC000036635944 221862322 /nfs/dbraw/zinc/86/23/22/221862322.db2.gz SPQUMRMYPPHWNQ-UHFFFAOYSA-N 0 0 399.490 5.856 50 0 GKAARN Cc1cc(C)cc(Oc2cc(C(C)(C)C)nc(SCc3ccc(F)cc3)n2)c1 ZINC000037509794 221871949 /nfs/dbraw/zinc/87/19/49/221871949.db2.gz VQQNJQAISNQIQS-UHFFFAOYSA-N 0 0 396.531 6.615 50 0 GKAARN COc1ccc(-c2nc(-c3ccc(OCc4ccccc4F)cc3)no2)cc1 ZINC000037547673 221873445 /nfs/dbraw/zinc/87/34/45/221873445.db2.gz RDFHGIGETZWUEE-UHFFFAOYSA-N 0 0 376.387 5.130 50 0 GKAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCc1ccc(F)cc1 ZINC000037547696 221873506 /nfs/dbraw/zinc/87/35/06/221873506.db2.gz BKWYVLJBGXBHGR-UHFFFAOYSA-N 0 0 390.414 5.439 50 0 GKAARN Cc1csc(N(C(=O)Cc2ccc(OC(F)(F)F)cc2)c2ccccc2)n1 ZINC000040129033 221909614 /nfs/dbraw/zinc/90/96/14/221909614.db2.gz DBWYGRSHNGVNSJ-UHFFFAOYSA-N 0 0 392.402 5.258 50 0 GKAARN COc1ccccc1[C@H]1CC(=O)Nc2c1ncn2-c1ccc(C(F)(F)F)cc1 ZINC000040288364 221919891 /nfs/dbraw/zinc/91/98/91/221919891.db2.gz MPIUHTSTNMWNKH-OAHLLOKOSA-N 0 0 387.361 5.023 50 0 GKAARN Cc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000040485725 221924937 /nfs/dbraw/zinc/92/49/37/221924937.db2.gz QQCCRHUZXAWUCS-JOCHJYFZSA-N 0 0 389.882 5.701 50 0 GKAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000041107822 221937778 /nfs/dbraw/zinc/93/77/78/221937778.db2.gz WUEJISIIZFMECO-UHFFFAOYSA-N 0 0 379.887 5.928 50 0 GKAARN O=C1[C@H](c2ccccc2)c2ccccc2N1N(Cc1ccccc1)c1ccccc1 ZINC000044124965 221950609 /nfs/dbraw/zinc/95/06/09/221950609.db2.gz XIWAHDGGHWYYSJ-AREMUKBSSA-N 0 0 390.486 5.787 50 0 GKAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)cc1 ZINC000057524700 222034630 /nfs/dbraw/zinc/03/46/30/222034630.db2.gz XZHDIEIAAAMRSK-RWEWTDSWSA-N 0 0 388.854 5.879 50 0 GKAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)c1 ZINC000046076974 221970349 /nfs/dbraw/zinc/97/03/49/221970349.db2.gz DSFXDFQZCKYQEG-INIZCTEOSA-N 0 0 383.444 5.046 50 0 GKAARN Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1F ZINC000057547865 222035594 /nfs/dbraw/zinc/03/55/94/222035594.db2.gz NGUUQXCGIDQJGO-VBKZILBWSA-N 0 0 386.467 5.041 50 0 GKAARN CC1(C)[C@@H]2C[C@H]1C[C@@H]1[C@H]2C(N)=C(c2ccccc2)[P@]1(=O)Cc1ccccc1 ZINC000049590246 222000201 /nfs/dbraw/zinc/00/02/01/222000201.db2.gz IRGYKPHHAIGJOT-KMCONYDASA-N 0 0 377.468 5.942 50 0 GKAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)n[nH]2)cc1 ZINC000051315467 222005023 /nfs/dbraw/zinc/00/50/23/222005023.db2.gz TZDLKHMFRYSCBY-UHFFFAOYSA-N 0 0 376.243 5.035 50 0 GKAARN Cc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000051330358 222005185 /nfs/dbraw/zinc/00/51/85/222005185.db2.gz LKLUMFVPFBRWSF-ZIXHIANRSA-N 0 0 392.546 7.104 50 0 GKAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364520 222006268 /nfs/dbraw/zinc/00/62/68/222006268.db2.gz CSRNKJCCZLBHPP-OAHLLOKOSA-N 0 0 399.277 5.152 50 0 GKAARN CCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C)C ZINC000055439793 222023164 /nfs/dbraw/zinc/02/31/64/222023164.db2.gz BGCGCVNIFCOSJW-LJQANCHMSA-N 0 0 399.512 5.814 50 0 biogenic GKAARN Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@H]2c2ccccc2Cl)c1 ZINC000064984065 222092711 /nfs/dbraw/zinc/09/27/11/222092711.db2.gz YTTJEEZQJBVXCC-IBGZPJMESA-N 0 0 377.937 5.263 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989491 222093132 /nfs/dbraw/zinc/09/31/32/222093132.db2.gz AVIPWDXHXIOZNK-UHFFFAOYSA-N 0 0 386.499 5.449 50 0 GKAARN CC(C)c1ccc(NC(=O)c2cccc(-c3cc(N4CCCC4)ncn3)c2)cc1 ZINC000064989538 222093465 /nfs/dbraw/zinc/09/34/65/222093465.db2.gz BXCNZBQFYZUOIT-UHFFFAOYSA-N 0 0 386.499 5.120 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2cc(NC3CCCCC3)ncn2)c1 ZINC000064989621 222094133 /nfs/dbraw/zinc/09/41/33/222094133.db2.gz HVTTYIXCJDGIQJ-UHFFFAOYSA-N 0 0 390.462 5.280 50 0 GKAARN Cc1cccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)c1C ZINC000065029681 222094692 /nfs/dbraw/zinc/09/46/92/222094692.db2.gz SINFHDRFVZGWBT-UHFFFAOYSA-N 0 0 378.451 5.235 50 0 GKAARN Cc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1Cl ZINC000065029682 222095216 /nfs/dbraw/zinc/09/52/16/222095216.db2.gz JHBCNJAIVNIDPR-UHFFFAOYSA-N 0 0 398.869 5.580 50 0 GKAARN CSc1cccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)c1 ZINC000065029723 222095409 /nfs/dbraw/zinc/09/54/09/222095409.db2.gz IXNXZDUUFBWPQR-UHFFFAOYSA-N 0 0 396.491 5.340 50 0 GKAARN COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccc(C)cc3)cc21 ZINC000065033921 222096323 /nfs/dbraw/zinc/09/63/23/222096323.db2.gz STBMPQANZQCDAP-UHFFFAOYSA-N 0 0 386.426 5.610 50 0 GKAARN Cc1ccccc1Cn1nnc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000065030299 222096326 /nfs/dbraw/zinc/09/63/26/222096326.db2.gz FTBMCYFUWDPLRJ-UHFFFAOYSA-N 0 0 384.483 5.164 50 0 GKAARN CC(=O)c1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc32)cc1 ZINC000065034413 222096788 /nfs/dbraw/zinc/09/67/88/222096788.db2.gz AHPNZEUFPGLPQK-UHFFFAOYSA-N 0 0 387.483 5.116 50 0 GKAARN CCCN(CCC)C(=O)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063193 222097300 /nfs/dbraw/zinc/09/73/00/222097300.db2.gz NGLHRRNDGPLKLQ-UHFFFAOYSA-N 0 0 393.462 5.337 50 0 GKAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)Nc3ccccc3C)c2)cs1 ZINC000065060159 222098129 /nfs/dbraw/zinc/09/81/29/222098129.db2.gz VEEQUWLTCCUUKB-UHFFFAOYSA-N 0 0 386.542 5.351 50 0 GKAARN CCc1nc(-c2cccc(-c3noc(COc4ccc(OC)cc4)n3)c2)cs1 ZINC000065098230 222100415 /nfs/dbraw/zinc/10/04/15/222100415.db2.gz XAILDZCNUVMFHU-UHFFFAOYSA-N 0 0 393.468 5.010 50 0 GKAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3Cl)c3ccccc32)cc1 ZINC000065130642 222101653 /nfs/dbraw/zinc/10/16/53/222101653.db2.gz POMRELRMVMNZTO-UHFFFAOYSA-N 0 0 379.822 5.379 50 0 GKAARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1ccc(F)cc1Cl ZINC000065149392 222103015 /nfs/dbraw/zinc/10/30/15/222103015.db2.gz XEYYUQBYLNGGDT-UHFFFAOYSA-N 0 0 377.828 5.029 50 0 GKAARN Cc1ccccc1Nc1nccc([C@H]2CCCN(C(=O)CC3CCCCC3)C2)n1 ZINC000065148162 222103794 /nfs/dbraw/zinc/10/37/94/222103794.db2.gz XCAYYMIMKSCZHZ-FQEVSTJZSA-N 0 0 392.547 5.205 50 0 GKAARN Cc1ccc(Cl)c(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)c1 ZINC000065165057 222105276 /nfs/dbraw/zinc/10/52/76/222105276.db2.gz UVMVPGDGOBUZSY-UHFFFAOYSA-N 0 0 398.919 5.019 50 0 GKAARN CCCn1c(-c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)nc2cccnc21 ZINC000065172806 222106177 /nfs/dbraw/zinc/10/61/77/222106177.db2.gz DYBVCNJHSPJXCC-UHFFFAOYSA-N 0 0 390.874 5.414 50 0 GKAARN COc1ccc(NC(=O)c2sc(Nc3cccc(C)c3)nc2C)cc1Cl ZINC000065184642 222106801 /nfs/dbraw/zinc/10/68/01/222106801.db2.gz ZSKYOFKYTGBFJW-UHFFFAOYSA-N 0 0 387.892 5.418 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000065184798 222107436 /nfs/dbraw/zinc/10/74/36/222107436.db2.gz BGTXRSFIXSTHBT-UHFFFAOYSA-N 0 0 375.856 5.548 50 0 GKAARN Cc1nc(Nc2cccc(F)c2)sc1C(=O)Nc1cccc(Cl)c1F ZINC000065184745 222107726 /nfs/dbraw/zinc/10/77/26/222107726.db2.gz GSRACJUGNSWLOO-UHFFFAOYSA-N 0 0 379.819 5.379 50 0 GKAARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)Nc1cccc(C(C)C)c1 ZINC000065184590 222107757 /nfs/dbraw/zinc/10/77/57/222107757.db2.gz URANEWLTPJWRCH-UHFFFAOYSA-N 0 0 379.529 6.188 50 0 GKAARN CCSc1ccc(-c2cccc(NC(=O)Nc3cccc(F)c3C)c2)nn1 ZINC000065185963 222108613 /nfs/dbraw/zinc/10/86/13/222108613.db2.gz WGSRQMBZKHJQGI-UHFFFAOYSA-N 0 0 382.464 5.347 50 0 GKAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000065218931 222111223 /nfs/dbraw/zinc/11/12/23/222111223.db2.gz IYOIOWPSUBFYOG-UHFFFAOYSA-N 0 0 391.452 5.034 50 0 GKAARN Cc1ccc(-c2noc(-c3sccc3NC(=O)Cc3ccsc3)n2)cc1 ZINC000065218888 222111633 /nfs/dbraw/zinc/11/16/33/222111633.db2.gz AKLVUXZGXWGAAC-UHFFFAOYSA-N 0 0 381.482 5.016 50 0 GKAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)c(C)c1 ZINC000065218854 222111783 /nfs/dbraw/zinc/11/17/83/222111783.db2.gz GDRRJBRYKLPSMP-UHFFFAOYSA-N 0 0 391.452 5.034 50 0 GKAARN CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000058023491 222037392 /nfs/dbraw/zinc/03/73/92/222037392.db2.gz GGAMJSHDIBOBOI-JTQLQIEISA-N 0 0 399.800 5.200 50 0 GKAARN C[C@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1ccccc1Cl ZINC000058098848 222038998 /nfs/dbraw/zinc/03/89/98/222038998.db2.gz CMBPQBILCOGIQM-KRWDZBQOSA-N 0 0 395.955 6.040 50 0 GKAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(Cl)c1)CO3 ZINC000058088631 222039078 /nfs/dbraw/zinc/03/90/78/222039078.db2.gz UPVAKTAPGUXQLN-UHFFFAOYSA-N 0 0 383.875 5.059 50 0 biogenic GKAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1nc(-c2ccccc2)oc1C ZINC000058111793 222040113 /nfs/dbraw/zinc/04/01/13/222040113.db2.gz NTWNGDYHCDHGKU-GMAHTHKFSA-N 0 0 388.511 5.377 50 0 GKAARN O=C(CSC(F)(F)F)Nc1cccc(Cl)c1Sc1ccccn1 ZINC000058196362 222043372 /nfs/dbraw/zinc/04/33/72/222043372.db2.gz NYLFAJGBEIXDFA-UHFFFAOYSA-N 0 0 378.828 5.078 50 0 GKAARN O=C(Nc1cccc(C(=O)N(C2CCCC2)C2CCCC2)c1)c1cccs1 ZINC000058330375 222049749 /nfs/dbraw/zinc/04/97/49/222049749.db2.gz NVQFTBLYWLKKLB-UHFFFAOYSA-N 0 0 382.529 5.328 50 0 GKAARN Fc1ccc(C(Sc2nnc(NC3CC3)s2)c2ccc(F)cc2)cc1 ZINC000058370414 222050179 /nfs/dbraw/zinc/05/01/79/222050179.db2.gz OONFXSKZQZCKRH-UHFFFAOYSA-N 0 0 375.469 5.272 50 0 GKAARN C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1ccc(F)c(F)c1 ZINC000058367915 222050189 /nfs/dbraw/zinc/05/01/89/222050189.db2.gz GHSXYDGWTUQRJD-JTQLQIEISA-N 0 0 381.448 5.421 50 0 GKAARN Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000058413175 222051931 /nfs/dbraw/zinc/05/19/31/222051931.db2.gz KVJVCSGWFFSKQP-UHFFFAOYSA-N 0 0 397.316 5.259 50 0 GKAARN CCc1ccc2c(CNc3ccc4oc(C(C)(C)C)nc4c3)cc(=O)oc2c1 ZINC000058404660 222052284 /nfs/dbraw/zinc/05/22/84/222052284.db2.gz YJZJZJLJPASYJR-UHFFFAOYSA-N 0 0 376.456 5.406 50 0 GKAARN CN(CCCc1cc(-c2ccccc2)no1)C(=O)CCCc1ccc(Cl)cc1 ZINC000058413609 222052602 /nfs/dbraw/zinc/05/26/02/222052602.db2.gz VYHTXDILMPZZFF-UHFFFAOYSA-N 0 0 396.918 5.409 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000058419108 222052633 /nfs/dbraw/zinc/05/26/33/222052633.db2.gz LJJUESPHCJTWRA-NRFANRHFSA-N 0 0 376.456 5.108 50 0 GKAARN Cc1c(C(=O)NCc2cc3ccccc3[nH]2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000058899851 222055899 /nfs/dbraw/zinc/05/58/99/222055899.db2.gz HAIDLHAKXKGBBN-UHFFFAOYSA-N 0 0 392.528 5.017 50 0 GKAARN O=C(CCSCc1ccccn1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000059361645 222056221 /nfs/dbraw/zinc/05/62/21/222056221.db2.gz GMCJAEYJLBFFIM-UHFFFAOYSA-N 0 0 398.915 5.789 50 0 GKAARN CC(C)N(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(Nc2ccccc2)cc1 ZINC000059934570 222057846 /nfs/dbraw/zinc/05/78/46/222057846.db2.gz LWOWCWOSEPULDM-QFIPXVFZSA-N 0 0 399.494 5.298 50 0 GKAARN C[C@@H](Cc1nnc(S[C@@H](C)c2ccc(F)c(Cl)c2)o1)c1ccccc1 ZINC000059928580 222058173 /nfs/dbraw/zinc/05/81/73/222058173.db2.gz YUYJXBWUXUNZKP-STQMWFEESA-N 0 0 376.884 6.062 50 0 GKAARN CC[C@@H](C)Sc1ccc(NC(=O)c2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000060306433 222059832 /nfs/dbraw/zinc/05/98/32/222059832.db2.gz PVPYXQVTLGLMKA-SNVBAGLBSA-N 0 0 389.389 6.127 50 0 GKAARN COc1ccc(-c2nc(NC(=O)C3=C(Cl)CCCC3)sc2C)cc1OC ZINC000061236109 222061047 /nfs/dbraw/zinc/06/10/47/222061047.db2.gz AUJBFVZNSHLRRD-UHFFFAOYSA-N 0 0 392.908 5.141 50 0 GKAARN O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000061734350 222062902 /nfs/dbraw/zinc/06/29/02/222062902.db2.gz ZNQHOLCLUHMXSM-INIZCTEOSA-N 0 0 384.401 5.496 50 0 GKAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(Cc2ccc(Cl)cc2Cl)CO1 ZINC000061997719 222064130 /nfs/dbraw/zinc/06/41/30/222064130.db2.gz CNADQXBYDLOPJY-UHFFFAOYSA-N 0 0 390.266 5.069 50 0 biogenic GKAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)no2)cc1 ZINC000061997092 222064160 /nfs/dbraw/zinc/06/41/60/222064160.db2.gz HOHAVCMZIMHCNG-UHFFFAOYSA-N 0 0 392.499 6.205 50 0 GKAARN FC(F)(F)c1cc(Cl)c2c(Br)nc(-c3ccccc3)n2c1 ZINC000063120237 222065614 /nfs/dbraw/zinc/06/56/14/222065614.db2.gz RJXVKQQBGBEBJF-UHFFFAOYSA-N 0 0 375.575 5.436 50 0 GKAARN CC(C)(C)c1ncc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)s1 ZINC000063992007 222068719 /nfs/dbraw/zinc/06/87/19/222068719.db2.gz NQVVLPQNWSLTNA-UHFFFAOYSA-N 0 0 390.512 5.091 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472440 222071982 /nfs/dbraw/zinc/07/19/82/222071982.db2.gz KSOLRXOZZWBSQR-UHFFFAOYSA-N 0 0 388.492 5.775 50 0 GKAARN COc1cccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3ccc(C)cc32)c1 ZINC000064568477 222074860 /nfs/dbraw/zinc/07/48/60/222074860.db2.gz NBZCHGHXSZTOLD-QGZVFWFLSA-N 0 0 389.499 5.168 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(F)c(F)c3)c2c1 ZINC000064568377 222074955 /nfs/dbraw/zinc/07/49/55/222074955.db2.gz LEOMHHQDUBJQQZ-UHFFFAOYSA-N 0 0 381.426 5.191 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(Cl)cc3C)cc12 ZINC000064567923 222075122 /nfs/dbraw/zinc/07/51/22/222075122.db2.gz KHSUMIZJGGIKLY-UHFFFAOYSA-N 0 0 399.878 5.749 50 0 GKAARN Cc1ccccc1CNC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000064578747 222075182 /nfs/dbraw/zinc/07/51/82/222075182.db2.gz SKKATIOHTQFBMO-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(Cl)c3)cc12 ZINC000064567897 222075520 /nfs/dbraw/zinc/07/55/20/222075520.db2.gz GRKHTKGRWHFJKH-UHFFFAOYSA-N 0 0 385.851 5.440 50 0 GKAARN CC1CCN(C(=O)c2cc(Nc3cc(F)ccc3F)c3ccccc3n2)CC1 ZINC000064568411 222075535 /nfs/dbraw/zinc/07/55/35/222075535.db2.gz VNXSTPUMMLTLRI-UHFFFAOYSA-N 0 0 381.426 5.129 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1C ZINC000064578726 222075581 /nfs/dbraw/zinc/07/55/81/222075581.db2.gz WXHKCQJESMADCK-UHFFFAOYSA-N 0 0 395.462 5.805 50 0 GKAARN O=C1C[C@@H](c2ccccc2Br)c2scc(-c3ccccc3)c2N1 ZINC000064604456 222076233 /nfs/dbraw/zinc/07/62/33/222076233.db2.gz LFWSCGZUGGOYNS-AWEZNQCLSA-N 0 0 384.298 5.652 50 0 GKAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4cccc(F)c4)c3)nc2)cc1 ZINC000064605953 222076587 /nfs/dbraw/zinc/07/65/87/222076587.db2.gz ORNZNRBNCZBENX-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN Cc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(Cl)cc2)CC3)cc1 ZINC000064659982 222076596 /nfs/dbraw/zinc/07/65/96/222076596.db2.gz IVJLTKDWMHQEFM-UHFFFAOYSA-N 0 0 383.904 5.362 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(Br)cc3)nc3cnccn32)cc1 ZINC000064657157 222076848 /nfs/dbraw/zinc/07/68/48/222076848.db2.gz FGVSHXOMULJRSP-UHFFFAOYSA-N 0 0 379.261 5.211 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000064660089 222077041 /nfs/dbraw/zinc/07/70/41/222077041.db2.gz HSIRCOFYPPRYHY-UHFFFAOYSA-N 0 0 399.903 5.062 50 0 GKAARN Cc1nc(-c2ccc(-c3noc(COc4ccc(Cl)cc4C)n3)cc2)cs1 ZINC000064669088 222077432 /nfs/dbraw/zinc/07/74/32/222077432.db2.gz YIPZFWJDEHYQLH-UHFFFAOYSA-N 0 0 397.887 5.709 50 0 GKAARN CCN1c2ccc(-c3noc(-c4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064666797 222077577 /nfs/dbraw/zinc/07/75/77/222077577.db2.gz CIGMIBGGGOFANL-UHFFFAOYSA-N 0 0 399.475 5.535 50 0 GKAARN CCOc1ccc(OC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000064666267 222077727 /nfs/dbraw/zinc/07/77/27/222077727.db2.gz OGAOCTBKAWARPW-UHFFFAOYSA-N 0 0 396.443 5.059 50 0 GKAARN CCOc1ccc(-c2noc(Cc3nc(-c4cc(C)ccc4C)cs3)n2)cc1 ZINC000064677636 222078887 /nfs/dbraw/zinc/07/88/87/222078887.db2.gz LZTRFPNLKCAVTP-UHFFFAOYSA-N 0 0 391.496 5.466 50 0 GKAARN CCc1cccc(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)c1 ZINC000064676206 222079737 /nfs/dbraw/zinc/07/97/37/222079737.db2.gz VZJNIVBHQVHWJF-UHFFFAOYSA-N 0 0 395.915 5.460 50 0 GKAARN O=C(Cc1csc2nc(-c3cccc(Cl)c3)cn12)Nc1cccc(F)c1 ZINC000064676193 222079839 /nfs/dbraw/zinc/07/98/39/222079839.db2.gz QZWSHCOHRVDKKB-UHFFFAOYSA-N 0 0 385.851 5.037 50 0 GKAARN Cc1cc2nc(NCCc3ccc(Cl)cc3)c(C(=O)OC(C)C)nc2cc1C ZINC000064690565 222079909 /nfs/dbraw/zinc/07/99/09/222079909.db2.gz CZOFRIQJAYQGKZ-UHFFFAOYSA-N 0 0 397.906 5.120 50 0 GKAARN COc1c2ccc(Cl)cc2sc1C(=O)NCc1ccccc1C(F)(F)F ZINC000064756789 222080739 /nfs/dbraw/zinc/08/07/39/222080739.db2.gz GGHXOUZMEMQPGL-UHFFFAOYSA-N 0 0 399.821 5.512 50 0 GKAARN Cc1ccc(Nc2nc(C)cc(Nc3ccc(NC(=O)c4ccco4)cc3)n2)cc1 ZINC000064801165 222081725 /nfs/dbraw/zinc/08/17/25/222081725.db2.gz MMRGKVKHEWFXBK-UHFFFAOYSA-N 0 0 399.454 5.426 50 0 GKAARN C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccccc1 ZINC000064955606 222089382 /nfs/dbraw/zinc/08/93/82/222089382.db2.gz QOVAPXGPMHQVAT-INIZCTEOSA-N 0 0 389.886 5.229 50 0 GKAARN CCc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064955970 222089890 /nfs/dbraw/zinc/08/98/90/222089890.db2.gz VBDNBMJKINJTQH-LJQANCHMSA-N 0 0 397.522 5.446 50 0 GKAARN COc1ccc(Cc2nc3ccc(C(=O)NCCC4=CCCCC4)cc3o2)cc1 ZINC000064968440 222090228 /nfs/dbraw/zinc/09/02/28/222090228.db2.gz MIQGFUABKTWYNE-UHFFFAOYSA-N 0 0 390.483 5.048 50 0 GKAARN CSc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000064967997 222090743 /nfs/dbraw/zinc/09/07/43/222090743.db2.gz JCQJHCOYDSMTGX-UHFFFAOYSA-N 0 0 388.492 5.071 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968045 222090891 /nfs/dbraw/zinc/09/08/91/222090891.db2.gz PJMQXHXKKDTQDY-UHFFFAOYSA-N 0 0 378.378 5.144 50 0 GKAARN Cc1cccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000064984107 222091868 /nfs/dbraw/zinc/09/18/68/222091868.db2.gz FHTODLHDWBLKGI-IBGZPJMESA-N 0 0 381.900 5.094 50 0 GKAARN COc1cc(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)cc(OC)c1OC ZINC000064984840 222091965 /nfs/dbraw/zinc/09/19/65/222091965.db2.gz IXXPBVMVZGSRQO-LJQANCHMSA-N 0 0 398.503 5.170 50 0 GKAARN Fc1ccc(CSC2=NC3(CCCCC3)N=C2c2cccs2)c(Cl)c1 ZINC000065330856 222124208 /nfs/dbraw/zinc/12/42/08/222124208.db2.gz JHWOPCWQUMMHSF-UHFFFAOYSA-N 0 0 392.952 6.336 50 0 GKAARN O[C@@H](Cn1cnc(-c2ccccc2)c1-c1cc2ccccc2o1)c1cccnc1 ZINC000065405753 222127843 /nfs/dbraw/zinc/12/78/43/222127843.db2.gz IOWNEJNHMJAFBR-FQEVSTJZSA-N 0 0 381.435 5.092 50 0 GKAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)NC(C)(C)c1ccccc1 ZINC000065405092 222128384 /nfs/dbraw/zinc/12/83/84/222128384.db2.gz RBOVROAAOICFOB-UHFFFAOYSA-N 0 0 380.513 5.004 50 0 GKAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000065504877 222131418 /nfs/dbraw/zinc/13/14/18/222131418.db2.gz UTQMENOOWFCVFA-MJGOQNOKSA-N 0 0 380.513 5.510 50 0 GKAARN Cc1ccc(-c2ncc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)s2)c(C)c1 ZINC000065530640 222132736 /nfs/dbraw/zinc/13/27/36/222132736.db2.gz UFBAGTRSPOZCIF-MAUKXSAKSA-N 0 0 380.513 5.416 50 0 GKAARN Cc1ncsc1CCn1cnc(-c2ccccc2)c1-c1cnn(C(C)C)c1 ZINC000065526157 222132894 /nfs/dbraw/zinc/13/28/94/222132894.db2.gz AVRDEBDKITWEHW-UHFFFAOYSA-N 0 0 377.517 5.002 50 0 GKAARN COc1ccc(Cl)cc1CN(Cc1cc(Cl)ccc1OC)CC1CC1 ZINC000065512974 222133456 /nfs/dbraw/zinc/13/34/56/222133456.db2.gz MXNZFJSQQUEJHL-UHFFFAOYSA-N 0 0 380.315 5.423 50 0 GKAARN Cc1cc(C(=O)Nc2cccnc2Oc2cccc(C)c2C)c(C)n1C1CC1 ZINC000065802380 222135611 /nfs/dbraw/zinc/13/56/11/222135611.db2.gz XWGPZUSQEMQKLL-UHFFFAOYSA-N 0 0 375.472 5.496 50 0 GKAARN O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc2ccccc2c(Cl)n1 ZINC000065859540 222135708 /nfs/dbraw/zinc/13/57/08/222135708.db2.gz PYNHFCVZDFOZFO-UHFFFAOYSA-N 0 0 399.784 5.290 50 0 GKAARN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCc2ccccc21 ZINC000065565124 222135974 /nfs/dbraw/zinc/13/59/74/222135974.db2.gz BMFSODBTEHKOPB-UHFFFAOYSA-N 0 0 388.467 5.390 50 0 GKAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000066029261 222136442 /nfs/dbraw/zinc/13/64/42/222136442.db2.gz ODKLDFSWEYDXAE-UHFFFAOYSA-N 0 0 383.366 5.049 50 0 GKAARN FC(F)(F)c1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000066345378 222139423 /nfs/dbraw/zinc/13/94/23/222139423.db2.gz HOEMWNULJPQTLA-UHFFFAOYSA-N 0 0 384.220 6.258 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)c(C)c1 ZINC000067257159 222142774 /nfs/dbraw/zinc/14/27/74/222142774.db2.gz RHQQVPIGZBFQFT-UHFFFAOYSA-N 0 0 395.503 5.247 50 0 GKAARN Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)ccc1Cl ZINC000067296398 222143600 /nfs/dbraw/zinc/14/36/00/222143600.db2.gz VPYJEPXCFCDZOH-LVWGJNHUSA-N 0 0 389.842 5.274 50 0 GKAARN CC(C)c1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1 ZINC000067295365 222144395 /nfs/dbraw/zinc/14/43/95/222144395.db2.gz PIHBHLSEWIECFW-LCUIJRPUSA-N 0 0 386.451 5.312 50 0 GKAARN Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)ccc1Cl ZINC000067297515 222144970 /nfs/dbraw/zinc/14/49/70/222144970.db2.gz AGADAMMMANDFRB-RWEWTDSWSA-N 0 0 388.854 5.879 50 0 GKAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2F)cc1 ZINC000067297638 222145529 /nfs/dbraw/zinc/14/55/29/222145529.db2.gz LFIBYUMRHIEQHV-RWEWTDSWSA-N 0 0 388.398 5.065 50 0 GKAARN O=C(/C=C/c1cc2cc(Cl)ccc2o1)NC(c1ccccc1)c1ccccc1 ZINC000067339226 222145600 /nfs/dbraw/zinc/14/56/00/222145600.db2.gz WPLRHYIGUXQVDH-WYMLVPIESA-N 0 0 387.866 6.005 50 0 GKAARN O=C(c1ccc(-c2ccccc2)cc1)C(Cl)(Br)Br ZINC000068561930 222171100 /nfs/dbraw/zinc/17/11/00/222171100.db2.gz KPRIGBJWGCLPAH-UHFFFAOYSA-N 0 0 388.486 5.219 50 0 GKAARN O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000071327587 222181395 /nfs/dbraw/zinc/18/13/95/222181395.db2.gz IHAYFMKGNZPTHS-UHFFFAOYSA-N 0 0 388.901 5.045 50 0 GKAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@H](c4ccccc4)CC3)cn2)cc1 ZINC000071439471 222185592 /nfs/dbraw/zinc/18/55/92/222185592.db2.gz FRYCUUBBDNHBLX-FQEVSTJZSA-N 0 0 386.495 5.167 50 0 GKAARN C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[N+](=O)[O-] ZINC000071769479 222195700 /nfs/dbraw/zinc/19/57/00/222195700.db2.gz PEDOADQHWFZFKP-NBVRZTHBSA-N 0 0 375.424 5.482 50 0 GKAARN CC(C)c1nc(CCNC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cs1 ZINC000072082747 222204569 /nfs/dbraw/zinc/20/45/69/222204569.db2.gz OFTYJBNTCUIWSW-LLVKDONJSA-N 0 0 386.348 5.176 50 0 GKAARN COc1cccc(-c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)c1 ZINC000072427584 222259445 /nfs/dbraw/zinc/25/94/45/222259445.db2.gz OPXJMPSNQDUYQA-UHFFFAOYSA-N 0 0 390.464 5.639 50 0 GKAARN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@@H](C)c2ccon2)cc1 ZINC000072435291 222260994 /nfs/dbraw/zinc/26/09/94/222260994.db2.gz NBBAFZVUMZQFJN-KRWDZBQOSA-N 0 0 387.483 5.400 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)S1 ZINC000085411887 222324074 /nfs/dbraw/zinc/32/40/74/222324074.db2.gz PISRNWJTELOPTQ-INIZCTEOSA-N 0 0 395.450 5.587 50 0 GKAARN Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)N[C@H](C)c1ccccc1 ZINC000086056799 222325408 /nfs/dbraw/zinc/32/54/08/222325408.db2.gz PSKHZBAMJJXFAD-MRXNPFEDSA-N 0 0 380.513 5.138 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c(C)c1 ZINC000085649881 222325534 /nfs/dbraw/zinc/32/55/34/222325534.db2.gz YYFXNEPCOFQFPJ-UHFFFAOYSA-N 0 0 394.478 5.756 50 0 GKAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000077200133 222276547 /nfs/dbraw/zinc/27/65/47/222276547.db2.gz MRWNRSLWQXCLSG-WOJBJXKFSA-N 0 0 388.467 5.130 50 0 GKAARN CCN(CC)[C@@H](C(=O)Nc1cc(F)ccc1C)c1cccc(C(F)(F)F)c1 ZINC000078808890 222296481 /nfs/dbraw/zinc/29/64/81/222296481.db2.gz XNKOUXHLERHPBI-GOSISDBHSA-N 0 0 382.401 5.175 50 0 GKAARN Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000079019429 222300594 /nfs/dbraw/zinc/30/05/94/222300594.db2.gz ZUTCIVRMGWXBBV-UHFFFAOYSA-N 0 0 383.854 5.417 50 0 GKAARN CCOC(=O)COc1ccc(-c2cc(-c3ccccc3)c3ccc(C)cc3n2)cc1 ZINC000079060705 222301334 /nfs/dbraw/zinc/30/13/34/222301334.db2.gz YVVVSYCRRREOAF-UHFFFAOYSA-N 0 0 397.474 5.819 50 0 GKAARN O=C(Nc1nc2ccc(F)cc2s1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344313 222307379 /nfs/dbraw/zinc/30/73/79/222307379.db2.gz MZBCRDLHAIOKDW-STQMWFEESA-N 0 0 381.259 5.484 50 0 GKAARN CCc1ccccc1OCc1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 ZINC000083827784 222313268 /nfs/dbraw/zinc/31/32/68/222313268.db2.gz IGNSTOHUXSGIIY-UHFFFAOYSA-N 0 0 398.422 5.081 50 0 GKAARN O=C(CCC(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCSc2c(F)cccc21 ZINC000084445577 222315767 /nfs/dbraw/zinc/31/57/67/222315767.db2.gz LEBTUBSBOGMNBM-FQEVSTJZSA-N 0 0 397.515 5.021 50 0 GKAARN Nc1c(Cl)cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1Cl ZINC000084502145 222316406 /nfs/dbraw/zinc/31/64/06/222316406.db2.gz DJQDSJNIOIGPGN-QWRGUYRKSA-N 0 0 389.204 5.337 50 0 GKAARN Fc1ccc(C2(c3nnc(Cc4cccc5ccccc54)o3)CCOCC2)cc1 ZINC000084598500 222317501 /nfs/dbraw/zinc/31/75/01/222317501.db2.gz SZOJHGMMMFVWLY-UHFFFAOYSA-N 0 0 388.442 5.049 50 0 GKAARN CC(C)c1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)cc2s1 ZINC000084678220 222319095 /nfs/dbraw/zinc/31/90/95/222319095.db2.gz DAAKOBWAEIXPKY-NSHDSACASA-N 0 0 397.525 5.105 50 0 GKAARN C[C@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@@H](c2ccccc2)O1 ZINC000084714085 222321456 /nfs/dbraw/zinc/32/14/56/222321456.db2.gz GOZLCCKJIJPGEV-JXFKEZNVSA-N 0 0 378.497 5.409 50 0 GKAARN COC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccs3)cc2F)cc1F ZINC000096008705 222370337 /nfs/dbraw/zinc/37/03/37/222370337.db2.gz JVDURCQXTRLVKJ-UHFFFAOYSA-N 0 0 388.395 5.124 50 0 GKAARN CC[C@H](C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000096119674 222383882 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COc1ccccc1C(=O)Nc1ccc2oc(Cc3ccccc3Cl)nc2c1 ZINC000096279154 222407458 /nfs/dbraw/zinc/40/74/58/222407458.db2.gz MARGUJVMEPVDJM-UHFFFAOYSA-N 0 0 392.842 5.333 50 0 GKAARN Fc1ccc(COc2ccc(-c3noc(-c4ccc(F)cc4F)n3)cc2)cc1 ZINC000096280666 222408607 /nfs/dbraw/zinc/40/86/07/222408607.db2.gz LOPOMFHKFGNEHO-UHFFFAOYSA-N 0 0 382.341 5.400 50 0 GKAARN Cc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1 ZINC000096324371 222413332 /nfs/dbraw/zinc/41/33/32/222413332.db2.gz RPUNBXDXZAMMMB-UHFFFAOYSA-N 0 0 397.409 5.155 50 0 GKAARN Cc1ccccc1/C=C\C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000096941273 222431955 /nfs/dbraw/zinc/43/19/55/222431955.db2.gz ILILKNMOORDBHI-UAMJFUFUSA-N 0 0 398.506 5.480 50 0 GKAARN O=C(Cc1ccccc1Cl)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000097000977 222434351 /nfs/dbraw/zinc/43/43/51/222434351.db2.gz UTUNCUFSUDSIFG-QFIPXVFZSA-N 0 0 379.887 5.187 50 0 GKAARN C[C@@H](NC(=O)N1CCC(c2ccc(O)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000097027249 222435267 /nfs/dbraw/zinc/43/52/67/222435267.db2.gz DCXVUJDWQDNSPS-CQSZACIVSA-N 0 0 392.421 5.061 50 0 GKAARN N=c1c2c(ncn1Cc1ccccc1)oc(-c1ccccc1)c2-c1ccccc1 ZINC000100685590 222460902 /nfs/dbraw/zinc/46/09/02/222460902.db2.gz ISUCVRBRCVTWCM-UHFFFAOYSA-N 0 0 377.447 5.491 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000102650343 222482932 /nfs/dbraw/zinc/48/29/32/222482932.db2.gz NDRCUCPDEOTWOU-QFIPXVFZSA-N 0 0 378.447 5.638 50 0 GKAARN Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102645680 222483295 /nfs/dbraw/zinc/48/32/95/222483295.db2.gz JTYNSIVVWFLURM-QFIPXVFZSA-N 0 0 380.919 6.828 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl ZINC000102714513 222484920 /nfs/dbraw/zinc/48/49/20/222484920.db2.gz XTGLIVITYKYLTH-AAVRWANBSA-N 0 0 392.248 5.500 50 0 GKAARN C[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C ZINC000105660543 222505656 /nfs/dbraw/zinc/50/56/56/222505656.db2.gz PWDFWLXWUXDPRO-BODMPHMZSA-N 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/nfs/dbraw/zinc/19/92/35/534199235.db2.gz ONBSCJHXNCLUIA-UHFFFAOYSA-N 0 0 383.472 5.969 50 0 GKAARN Cc1ccc(-c2noc([C@H](C)N[C@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1F ZINC000097205949 534234788 /nfs/dbraw/zinc/23/47/88/534234788.db2.gz NSMBQKRYFJELLM-OLZOCXBDSA-N 0 0 393.384 5.615 50 0 GKAARN CCOc1ccc2c(c1)oc(=O)c(-c1ccccc1Cl)c2-c1ccccc1 ZINC000002576885 517732251 /nfs/dbraw/zinc/73/22/51/517732251.db2.gz BHSKMBHINYDUSN-UHFFFAOYSA-N 0 0 376.839 6.179 50 0 GKAARN C[C@H]1SC2(SC1(c1ccccc1)c1ccccc1)C(C)(C)C(=O)C2(C)C ZINC000002074690 518185115 /nfs/dbraw/zinc/18/51/15/518185115.db2.gz HTMFSPQIZQAODZ-MRXNPFEDSA-N 0 0 382.594 6.130 50 0 GKAARN Cc1cccc(Nc2nnc(SCC(=O)c3cc(C)c(C)cc3C)s2)c1 ZINC000003360961 518190532 /nfs/dbraw/zinc/19/05/32/518190532.db2.gz PWNUVWSYTMFCEY-UHFFFAOYSA-N 0 0 383.542 5.490 50 0 GKAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008193322 534384149 /nfs/dbraw/zinc/38/41/49/534384149.db2.gz CILKZCTWSSVHMR-UHFFFAOYSA-N 0 0 394.496 5.299 50 0 GKAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000004649258 519102776 /nfs/dbraw/zinc/10/27/76/519102776.db2.gz UWFRSMXYRUJOKG-UHFFFAOYSA-N 0 0 375.859 5.373 50 0 GKAARN Oc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000006915040 534453219 /nfs/dbraw/zinc/45/32/19/534453219.db2.gz IGEMDBPBXCKKJX-IBGZPJMESA-N 0 0 395.821 5.436 50 0 GKAARN Fc1ccc(-c2nc(CSc3n[nH]c(C=Cc4cccs4)n3)co2)cc1 ZINC000098004616 534455915 /nfs/dbraw/zinc/45/59/15/534455915.db2.gz ODFWAXBIPCSLNL-FPLPWBNLSA-N 0 0 384.461 5.123 50 0 GKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc(F)c1 ZINC000000828386 520687920 /nfs/dbraw/zinc/68/79/20/520687920.db2.gz YPGDUKCXLQQFKD-UHFFFAOYSA-N 0 0 387.526 6.241 50 0 GKAARN CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)Cc1ccccc1 ZINC000000822164 520688009 /nfs/dbraw/zinc/68/80/09/520688009.db2.gz QJJZPBLMILDXNF-UHFFFAOYSA-N 0 0 383.563 6.030 50 0 GKAARN CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3sccc3C)ccc2n1 ZINC000004757357 520875964 /nfs/dbraw/zinc/87/59/64/520875964.db2.gz MPFSPEVKPDUGCS-MDZDMXLPSA-N 0 0 379.529 5.411 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C\c1ccccc1 ZINC000033874032 521373258 /nfs/dbraw/zinc/37/32/58/521373258.db2.gz MBVFVPLZFFRZEA-YPKPFQOOSA-N 0 0 377.465 5.244 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000015582365 534643255 /nfs/dbraw/zinc/64/32/55/534643255.db2.gz MSOVREMLSZMMOW-UHFFFAOYSA-N 0 0 384.483 5.164 50 0 GKAARN CCn1c(SCc2cccc(Br)c2)nnc1-c1cccs1 ZINC000002522447 523240823 /nfs/dbraw/zinc/24/08/23/523240823.db2.gz REDAGPVGCONLPC-UHFFFAOYSA-N 0 0 380.336 5.081 50 0 GKAARN Cn1c2ccccc2c(Sc2ccccc2)c1CC(=O)NCc1ccccc1 ZINC000000704937 534712760 /nfs/dbraw/zinc/71/27/60/534712760.db2.gz FFBLKOSEZMMNDO-UHFFFAOYSA-N 0 0 386.520 5.188 50 0 GKAARN CCn1ncc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000253503734 523688697 /nfs/dbraw/zinc/68/86/97/523688697.db2.gz WNRWZRXSDMQPIJ-SDTZAJTQSA-N 0 0 396.619 5.998 50 0 GKAARN COc1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000002523544 524130019 /nfs/dbraw/zinc/13/00/19/524130019.db2.gz FVQJPPXKCSEONX-UHFFFAOYSA-N 0 0 379.510 5.297 50 0 GKAARN O=C1OC(c2cccc(Cl)c2Cl)=N/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000001950416 534805646 /nfs/dbraw/zinc/80/56/46/534805646.db2.gz ZLOURDQQPOCPQK-NTUHNPAUSA-N 0 0 387.049 5.645 50 0 GKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1 ZINC000000753337 524816256 /nfs/dbraw/zinc/81/62/56/524816256.db2.gz JQYREBXPZWEONB-HTAPYJJXSA-N 0 0 390.458 5.183 50 0 GKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc2c(c1)OCO2 ZINC000000828381 524932124 /nfs/dbraw/zinc/93/21/24/524932124.db2.gz BHSQYQUQOZJMJA-JXFKEZNVSA-N 0 0 386.451 5.008 50 0 GKAARN Cc1cccc2c1N(C(=O)c1cccc(NC(=O)CCc3ccccc3)c1)CCC2 ZINC000000721129 524950030 /nfs/dbraw/zinc/95/00/30/524950030.db2.gz HPAIDQXPSCXROR-UHFFFAOYSA-N 0 0 398.506 5.159 50 0 GKAARN Cc1ccc(Nc2nc(O)c(Cc3cc(Cl)ccc3Cl)s2)cc1C ZINC000005812890 525269004 /nfs/dbraw/zinc/26/90/04/525269004.db2.gz TZJKWVJRQNSISA-INIZCTEOSA-N 0 0 379.312 5.263 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@]34C)[C@@H]1CC[C@H]2O ZINC000253499314 525351850 /nfs/dbraw/zinc/35/18/50/525351850.db2.gz FBKABQAUROQJTI-KHYDQNRZSA-N 0 0 376.581 5.302 50 0 biogenic GKAARN Cc1ccc(OCCSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 ZINC000003448979 525425408 /nfs/dbraw/zinc/42/54/08/525425408.db2.gz ALGOFNBFTJRZKO-UHFFFAOYSA-N 0 0 394.974 5.796 50 0 GKAARN COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(C)cc2)c1 ZINC000005427166 525837953 /nfs/dbraw/zinc/83/79/53/525837953.db2.gz ZJKIQNMKUDBRTP-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 GKAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1ccccc1Cl)[C@H]2O ZINC000253528856 525913513 /nfs/dbraw/zinc/91/35/13/525913513.db2.gz PJVYRWWVEKBKTG-JZPANLKRSA-N 0 0 399.018 7.127 50 0 GKAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(F)cc1)[C@H]2O ZINC000253499528 525913550 /nfs/dbraw/zinc/91/35/50/525913550.db2.gz PMEHFZAZGYAERC-XXRNYFGOSA-N 0 0 396.546 5.504 50 0 GKAARN Cc1cc(C(=O)CSc2nc3ccccc3s2)c(C)n1CC(F)(F)F ZINC000005937298 526214878 /nfs/dbraw/zinc/21/48/78/526214878.db2.gz FNZBPSUSBLCLPW-UHFFFAOYSA-N 0 0 384.448 5.252 50 0 GKAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccs1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414179 526524320 /nfs/dbraw/zinc/52/43/20/526524320.db2.gz QMFRKQAKZFATII-FQEVSTJZSA-N 0 0 391.496 5.133 50 0 GKAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccccc1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000409415330 526524554 /nfs/dbraw/zinc/52/45/54/526524554.db2.gz AYCAXLKAOFJQJT-QFIPXVFZSA-N 0 0 399.494 5.147 50 0 GKAARN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000001062933 526939006 /nfs/dbraw/zinc/93/90/06/526939006.db2.gz FJBJZTKHQVRSBI-MZURAFEFSA-N 0 0 387.508 5.715 50 0 GKAARN O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)NC1CCCC1 ZINC000006548360 527048120 /nfs/dbraw/zinc/04/81/20/527048120.db2.gz HTBSSDKKEVYIMQ-UHFFFAOYSA-N 0 0 398.959 5.494 50 0 GKAARN O=C(Nc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1)c1ccco1 ZINC000008185285 527139955 /nfs/dbraw/zinc/13/99/55/527139955.db2.gz VRWUYHKUTIEOJP-UHFFFAOYSA-N 0 0 390.420 5.051 50 0 GKAARN O=C(NC1CC1)c1ccc(CN(Cc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000025180964 527494353 /nfs/dbraw/zinc/49/43/53/527494353.db2.gz GHBKXLIAQXBSMP-UHFFFAOYSA-N 0 0 389.326 5.050 50 0 GKAARN CC(C)(C)C(=O)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001772199 527610343 /nfs/dbraw/zinc/61/03/43/527610343.db2.gz RYYFNMYXXCCMAA-UHFFFAOYSA-N 0 0 394.467 5.834 50 0 GKAARN CC(C)Oc1ccc(CCC(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000409414571 528148407 /nfs/dbraw/zinc/14/84/07/528148407.db2.gz MWCWDWOMNGLMBW-JOCHJYFZSA-N 0 0 376.500 5.082 50 0 GKAARN CCOc1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000001946663 528368103 /nfs/dbraw/zinc/36/81/03/528368103.db2.gz ZLCBWFVTNOENRF-WYMLVPIESA-N 0 0 381.516 5.993 50 0 GKAARN CCCCN(Cc1ccncc1)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000426701604 528445724 /nfs/dbraw/zinc/44/57/24/528445724.db2.gz MOUGIKQSANVQCK-HNNXBMFYSA-N 0 0 379.426 5.173 50 0 GKAARN CCCCN(Cc1ccncc1)C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000426701605 528446231 /nfs/dbraw/zinc/44/62/31/528446231.db2.gz MOUGIKQSANVQCK-OAHLLOKOSA-N 0 0 379.426 5.173 50 0 GKAARN CC[C@@H]1CCc2sc(C(=O)Nc3nnc(-c4cccs4)s3)cc2C1 ZINC000006489393 529345201 /nfs/dbraw/zinc/34/52/01/529345201.db2.gz KTUPFORXCBJMGI-SNVBAGLBSA-N 0 0 375.544 5.095 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)cc(C)c1)CO3 ZINC000002113383 535079320 /nfs/dbraw/zinc/07/93/20/535079320.db2.gz MMQIKUPWCLYFQW-UHFFFAOYSA-N 0 0 377.484 5.417 50 0 biogenic GKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1c(C)cccc1C(C)C)CO3 ZINC000002126140 536094589 /nfs/dbraw/zinc/09/45/89/536094589.db2.gz BRVYVLMJZTWFCY-UHFFFAOYSA-N 0 0 377.484 5.452 50 0 biogenic GKAARN CCCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl ZINC000002855423 538557913 /nfs/dbraw/zinc/55/79/13/538557913.db2.gz ZQXLYAONZDQPSU-UHFFFAOYSA-N 0 0 395.286 5.383 50 0 GKAARN c1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 ZINC000005185969 560201206 /nfs/dbraw/zinc/20/12/06/560201206.db2.gz HOCMARZVAUWOFA-UHFFFAOYSA-N 0 0 388.474 5.180 50 0 in-vitro GKAARN CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 ZINC000005513691 560202318 /nfs/dbraw/zinc/20/23/18/560202318.db2.gz JLQUFIHWVLZVTJ-UHFFFAOYSA-N 0 0 380.554 5.296 50 0 in-vitro GKAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(F)cc2)cc1 ZINC000012420657 560212027 /nfs/dbraw/zinc/21/20/27/560212027.db2.gz MAPYRMBCXVPHDO-VWLOTQADSA-N 0 0 386.470 5.463 50 0 biogenic,in-vitro GKAARN CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013675378 560220135 /nfs/dbraw/zinc/22/01/35/560220135.db2.gz SUFMHSFGODDLKI-NHCUHLMSSA-N 0 0 384.604 7.554 50 0 in-vitro GKAARN CCC(C)(C)C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022624260 570209857 /nfs/dbraw/zinc/20/98/57/570209857.db2.gz YFLMBJJTCWZAKA-OAQYLSRUSA-N 0 0 384.951 5.010 50 0 GKAARN CCC(C)(C)C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022624258 570209884 /nfs/dbraw/zinc/20/98/84/570209884.db2.gz YFLMBJJTCWZAKA-NRFANRHFSA-N 0 0 384.951 5.010 50 0 GKAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N(Cc1ccncc1)C1CCCCC1 ZINC000096130351 570210697 /nfs/dbraw/zinc/21/06/97/570210697.db2.gz AWQWHIMUJRYTIZ-UHFFFAOYSA-N 0 0 381.907 5.500 50 0 GKAARN Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 ZINC000000626739 570211353 /nfs/dbraw/zinc/21/13/53/570211353.db2.gz JIBZEAFLCBSEIL-SFHVURJKSA-N 0 0 399.321 5.883 50 0 GKAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c(C(C)(C)C)c1 ZINC000019736538 570211712 /nfs/dbraw/zinc/21/17/12/570211712.db2.gz VYHXRAGEARUUJO-UHFFFAOYSA-N 0 0 388.939 5.535 50 0 GKAARN CC[C@H](C)c1ccccc1O[C@H](C)CNc1cccc(OCc2ccccc2)c1 ZINC000019738478 570211716 /nfs/dbraw/zinc/21/17/16/570211716.db2.gz RAFCYMBKLIIZOO-LEWJYISDSA-N 0 0 389.539 6.659 50 0 GKAARN Cc1ccc(C)c(OCCNc2ccccc2OCCOc2ccccc2)c1 ZINC000019738440 570211772 /nfs/dbraw/zinc/21/17/72/570211772.db2.gz AABDLCDARUAIRZ-UHFFFAOYSA-N 0 0 377.484 5.252 50 0 GKAARN Cc1cccc(C)c1O[C@@H](C)CNc1cccc(OCCc2ccccc2)c1 ZINC000019737469 570211819 /nfs/dbraw/zinc/21/18/19/570211819.db2.gz XBKSFMGPNZLZIQ-NRFANRHFSA-N 0 0 375.512 5.804 50 0 GKAARN C[C@H](CNc1cccc(OCCOc2ccccc2)c1)Oc1ccccc1Cl ZINC000019738410 570211827 /nfs/dbraw/zinc/21/18/27/570211827.db2.gz LNBAGNMZUFYZKJ-GOSISDBHSA-N 0 0 397.902 5.677 50 0 GKAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cccs1)CC2 ZINC000019732608 570211928 /nfs/dbraw/zinc/21/19/28/570211928.db2.gz ZQAJHSHGWFMOBD-QFIPXVFZSA-N 0 0 399.943 5.566 50 0 GKAARN Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 ZINC000000631177 570212002 /nfs/dbraw/zinc/21/20/02/570212002.db2.gz ZJUKRSHFBZPEKF-CVEARBPZSA-N 0 0 379.678 5.385 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2cnc(-c3ccc(C)cc3)cc12 ZINC000000633240 570212035 /nfs/dbraw/zinc/21/20/35/570212035.db2.gz CFBVHMFRJIDLNR-UHFFFAOYSA-N 0 0 398.462 5.026 50 0 GKAARN COc1ccccc1NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(C)C ZINC000000637611 570212922 /nfs/dbraw/zinc/21/29/22/570212922.db2.gz IRRSTKIHKRJAEO-LKIFIEJRSA-N 0 0 397.518 5.813 50 0 GKAARN S=C(c1cn(CCOc2ccccc2Cl)c2ccccc12)N1CCCCC1 ZINC000000637347 570213002 /nfs/dbraw/zinc/21/30/02/570213002.db2.gz ZXJFHEYUHRZSTO-UHFFFAOYSA-N 0 0 398.959 5.535 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC000000640893 570213714 /nfs/dbraw/zinc/21/37/14/570213714.db2.gz IZGVUVGNIJBWAF-UHFFFAOYSA-N 0 0 383.831 5.539 50 0 GKAARN CCCCN(CC)C(=O)c1cccc(Nc2ncc(-c3ccc(C)cc3)cn2)c1 ZINC000046146423 570213828 /nfs/dbraw/zinc/21/38/28/570213828.db2.gz MCBQMJDPQRQDRA-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000000644012 570213962 /nfs/dbraw/zinc/21/39/62/570213962.db2.gz PJYYXODYTXCDEM-HNNXBMFYSA-N 0 0 384.545 5.418 50 0 GKAARN COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000000643754 570214011 /nfs/dbraw/zinc/21/40/11/570214011.db2.gz OLSWLPQHQXFRLQ-UHFFFAOYSA-N 0 0 381.284 5.878 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1Cl ZINC000000649830 570214211 /nfs/dbraw/zinc/21/42/11/570214211.db2.gz RONULFWKZQYRGP-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN Cc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1C ZINC000000649022 570214359 /nfs/dbraw/zinc/21/43/59/570214359.db2.gz CURKFFZYFPIGGV-UHFFFAOYSA-N 0 0 392.409 5.203 50 0 GKAARN Cc1cc(C)c(NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 ZINC000000671252 570215695 /nfs/dbraw/zinc/21/56/95/570215695.db2.gz ITEFGPKFYHGHMF-UHFFFAOYSA-N 0 0 398.300 5.545 50 0 GKAARN O=C(Nc1cccc(Cl)c1)c1cccc(NC(=S)Nc2ccccc2)c1 ZINC000000671856 570215793 /nfs/dbraw/zinc/21/57/93/570215793.db2.gz BXBPADKODQZFHD-UHFFFAOYSA-N 0 0 381.888 5.401 50 0 GKAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(Cl)cc1 ZINC000000671244 570215800 /nfs/dbraw/zinc/21/58/00/570215800.db2.gz LOKVHCCLVBXCCC-UHFFFAOYSA-N 0 0 390.664 5.273 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000010662006 570215936 /nfs/dbraw/zinc/21/59/36/570215936.db2.gz IKKFXRCBEFNCNP-UHFFFAOYSA-N 0 0 390.512 5.610 50 0 GKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000000673041 570216038 /nfs/dbraw/zinc/21/60/38/570216038.db2.gz ZYXXEOYWRINPPY-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN CCCc1ccc(OCc2ccc(C(=O)Nc3cc(C)cc(C)c3)o2)c(OC)c1 ZINC000000673440 570216058 /nfs/dbraw/zinc/21/60/58/570216058.db2.gz SZFLRHLHVSMVJF-UHFFFAOYSA-N 0 0 393.483 5.689 50 0 GKAARN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c1 ZINC000000678999 570216449 /nfs/dbraw/zinc/21/64/49/570216449.db2.gz GMSWQQOCZSFCOK-UHFFFAOYSA-N 0 0 378.497 5.001 50 0 GKAARN COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(OC)c1 ZINC000000679912 570216728 /nfs/dbraw/zinc/21/67/28/570216728.db2.gz LALOBMYHUDJZQS-UHFFFAOYSA-N 0 0 382.268 5.478 50 0 GKAARN Cc1ccc([C@H]2Nc3cc(NC(=O)c4cccnc4Cl)ccc3O2)cc1C ZINC000000679750 570216734 /nfs/dbraw/zinc/21/67/34/570216734.db2.gz AOXURYFRNXEJFE-NRFANRHFSA-N 0 0 379.847 5.107 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000000683179 570217459 /nfs/dbraw/zinc/21/74/59/570217459.db2.gz PUBGZNHPCFNCNQ-UHFFFAOYSA-N 0 0 393.508 5.016 50 0 GKAARN Cc1cc(C)cc(NC(=O)c2cc(Br)ccc2Br)c1 ZINC000000683256 570217516 /nfs/dbraw/zinc/21/75/16/570217516.db2.gz ZYJBAENMOGKQMB-UHFFFAOYSA-N 0 0 383.083 5.081 50 0 GKAARN COc1ccc(CCCC(=O)Nc2c(C)cc(Br)cc2C)cc1C ZINC000000685626 570217879 /nfs/dbraw/zinc/21/78/79/570217879.db2.gz WHVBQAQKYUCNRK-UHFFFAOYSA-N 0 0 390.321 5.344 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000000695885 570218339 /nfs/dbraw/zinc/21/83/39/570218339.db2.gz UOMMBXYYEKMIHB-UHFFFAOYSA-N 0 0 381.859 5.561 50 0 GKAARN COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000000692512 570218414 /nfs/dbraw/zinc/21/84/14/570218414.db2.gz HOCQVFZOLCKPAQ-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000000702210 570218575 /nfs/dbraw/zinc/21/85/75/570218575.db2.gz QKQNTJJDECINNU-UHFFFAOYSA-N 0 0 398.846 5.121 50 0 GKAARN Cc1c2ccccc2oc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000000702329 570218755 /nfs/dbraw/zinc/21/87/55/570218755.db2.gz NLLYTNUQXZJDQI-UHFFFAOYSA-N 0 0 399.472 5.276 50 0 GKAARN O=C(CSc1nc2ccccc2o1)N1c2ccccc2Sc2ccccc21 ZINC000000705508 570218879 /nfs/dbraw/zinc/21/88/79/570218879.db2.gz ABKHXRBPKKSBDC-UHFFFAOYSA-N 0 0 390.489 5.749 50 0 aggregator GKAARN CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1OC ZINC000000707130 570218965 /nfs/dbraw/zinc/21/89/65/570218965.db2.gz PDMYFFWFBFXATM-SVTDKJBASA-N 0 0 397.518 5.957 50 0 GKAARN O=C(Cc1ccccc1)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000000706252 570218975 /nfs/dbraw/zinc/21/89/75/570218975.db2.gz LBGLWEVYSPWIMR-UHFFFAOYSA-N 0 0 377.447 5.564 50 0 GKAARN c1ccc(CSc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)cc1 ZINC000000706604 570219061 /nfs/dbraw/zinc/21/90/61/570219061.db2.gz XPURBIACEWOBOC-UHFFFAOYSA-N 0 0 382.492 5.320 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000710272 570219242 /nfs/dbraw/zinc/21/92/42/570219242.db2.gz KFUXCMPTANTXQZ-UHFFFAOYSA-N 0 0 381.111 6.031 50 0 GKAARN CCOc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 ZINC000000711003 570219355 /nfs/dbraw/zinc/21/93/55/570219355.db2.gz ZVJQWNSAOQYKFI-UHFFFAOYSA-N 0 0 389.495 5.429 50 0 GKAARN Cc1ccc([C@H](CC(=O)Nc2ccc(C)c(C)c2)N2Cc3ccccc3C2=O)cc1 ZINC000015721539 570219318 /nfs/dbraw/zinc/21/93/18/570219318.db2.gz LUHXAGUJFNSNRY-DEOSSOPVSA-N 0 0 398.506 5.338 50 0 GKAARN c1[nH]c2ccccc2c1CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000714032 570219609 /nfs/dbraw/zinc/21/96/09/570219609.db2.gz JHOJINRCNRUROK-UHFFFAOYSA-N 0 0 382.492 5.708 50 0 GKAARN CCOC(=O)c1cc(C)sc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000714970 570219640 /nfs/dbraw/zinc/21/96/40/570219640.db2.gz DCMBFPPYQLKJEX-UHFFFAOYSA-N 0 0 379.481 5.004 50 0 GKAARN O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000000713769 570219671 /nfs/dbraw/zinc/21/96/71/570219671.db2.gz IALNAKUEHIUMMK-IBGZPJMESA-N 0 0 379.257 5.220 50 0 GKAARN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000714152 570219683 /nfs/dbraw/zinc/21/96/83/570219683.db2.gz MQZKLWYPDQKPEV-BWWMBTDCSA-N 0 0 399.877 5.045 50 0 GKAARN Cc1cc(-c2cc(C(=O)Nc3cc(F)ccc3C)c3c(C)noc3n2)c(C)o1 ZINC000011557900 570220130 /nfs/dbraw/zinc/22/01/30/570220130.db2.gz PHNUHRZQWDHZEN-UHFFFAOYSA-N 0 0 379.391 5.108 50 0 GKAARN Cc1nnc([C@@H](C)Sc2nc3cc(Cl)ccc3n2Cc2ccccc2)o1 ZINC000048186591 570220220 /nfs/dbraw/zinc/22/02/20/570220220.db2.gz SQFDCCJXDZHNPH-GFCCVEGCSA-N 0 0 384.892 5.283 50 0 GKAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)C(C)(C)C)CCCCC3)c1 ZINC000000722386 570220417 /nfs/dbraw/zinc/22/04/17/570220417.db2.gz JEAAUXZKZAVBNC-UHFFFAOYSA-N 0 0 384.545 5.562 50 0 GKAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnc(-c3ccco3)o2)n1 ZINC000032533717 570220473 /nfs/dbraw/zinc/22/04/73/570220473.db2.gz QFTXPDUSEBVSHQ-UHFFFAOYSA-N 0 0 398.494 5.522 50 0 GKAARN COc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccccc3)C[C@@H]21 ZINC000019800543 570220586 /nfs/dbraw/zinc/22/05/86/570220586.db2.gz XUADVRZGBOSBDR-NZQKXSOJSA-N 0 0 390.870 5.591 50 0 GKAARN COc1ccccc1-n1c(-c2ccccc2)cnc1S[C@H](C)c1nnc(C)o1 ZINC000048188119 570220697 /nfs/dbraw/zinc/22/06/97/570220697.db2.gz 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ZINC000015730166 570222585 /nfs/dbraw/zinc/22/25/85/570222585.db2.gz YHAYYOUMFIJVKE-UHFFFAOYSA-N 0 0 381.435 5.577 50 0 GKAARN C[C@H]1c2cccn2-c2ccccc2CN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000015732172 570223125 /nfs/dbraw/zinc/22/31/25/570223125.db2.gz GLNWFQRWMBGWJH-RNXZQOMOSA-N 0 0 375.516 5.032 50 0 GKAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCc2ccccc2)cc1 ZINC000006046839 570223638 /nfs/dbraw/zinc/22/36/38/570223638.db2.gz GPUKYYOENVQLNE-UHFFFAOYSA-N 0 0 375.512 5.811 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2ccccc2n1 ZINC000048231274 570223671 /nfs/dbraw/zinc/22/36/71/570223671.db2.gz IKJPZWDFSVFQNH-UHFFFAOYSA-N 0 0 381.794 5.243 50 0 GKAARN COc1ccc(OC)c([C@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)c1 ZINC000048262143 570224534 /nfs/dbraw/zinc/22/45/34/570224534.db2.gz SGOMPJDTSTZMBL-OAQYLSRUSA-N 0 0 378.472 5.004 50 0 GKAARN C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(N)cc1 ZINC000085388549 570224579 /nfs/dbraw/zinc/22/45/79/570224579.db2.gz XMKKRVVUMDXINS-SZNDQCEHSA-N 0 0 393.437 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COc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc(OC)c1 ZINC000001160388 570251578 /nfs/dbraw/zinc/25/15/78/570251578.db2.gz UCUPJEADEPRTPA-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2cccc(C)c2)C2CCCCC2)c1C ZINC000085711346 570252778 /nfs/dbraw/zinc/25/27/78/570252778.db2.gz WGLSLMZYMVQPGY-UHFFFAOYSA-N 0 0 396.531 5.092 50 0 GKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccccc2C)C2CCCCC2)c1C ZINC000085711344 570252789 /nfs/dbraw/zinc/25/27/89/570252789.db2.gz KXXMJOYCHDNMSE-UHFFFAOYSA-N 0 0 396.531 5.092 50 0 GKAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Br)o2)c2ccccc2)cc1 ZINC000001165250 570252766 /nfs/dbraw/zinc/25/27/66/570252766.db2.gz FTLXEHLCVZHOBB-IBGZPJMESA-N 0 0 399.240 5.132 50 0 GKAARN CCOc1ccccc1NC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001167943 570252790 /nfs/dbraw/zinc/25/27/90/570252790.db2.gz PDPOIEAGBURGGX-UHFFFAOYSA-N 0 0 389.451 5.479 50 0 GKAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)CC2CCCC2)C2CCCCC2)c1C ZINC000085711364 570252840 /nfs/dbraw/zinc/25/28/40/570252840.db2.gz 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CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@H](C)C2 ZINC000001195953 570257291 /nfs/dbraw/zinc/25/72/91/570257291.db2.gz PXNQMKTVKKAVFB-NSHDSACASA-N 0 0 376.909 5.127 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(F)c(C)c2)n1 ZINC000049005338 570257283 /nfs/dbraw/zinc/25/72/83/570257283.db2.gz AAUCWKIGBYRAEZ-MRXNPFEDSA-N 0 0 392.478 5.144 50 0 GKAARN COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 ZINC000001200853 570257783 /nfs/dbraw/zinc/25/77/83/570257783.db2.gz BDLXAOIDMWQFIG-UHFFFAOYSA-N 0 0 382.463 5.780 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c(C)c1 ZINC000001200748 570257882 /nfs/dbraw/zinc/25/78/82/570257882.db2.gz FGKOVPOGVHNOFJ-UHFFFAOYSA-N 0 0 398.940 6.547 50 0 GKAARN CCOc1ccccc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001209357 570258084 /nfs/dbraw/zinc/25/80/84/570258084.db2.gz SOGNZMPBDMQXHH-UHFFFAOYSA-N 0 0 391.254 5.608 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3C)nc2c1 ZINC000001207624 570258116 /nfs/dbraw/zinc/25/81/16/570258116.db2.gz CCZODWOCUUPEOJ-UHFFFAOYSA-N 0 0 383.662 5.420 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000001212740 570258621 /nfs/dbraw/zinc/25/86/21/570258621.db2.gz VXRZRBFWQUXAPL-UHFFFAOYSA-N 0 0 375.255 5.826 50 0 GKAARN Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1Cl ZINC000001218699 570258895 /nfs/dbraw/zinc/25/88/95/570258895.db2.gz QMKVGQLTKORVLM-UHFFFAOYSA-N 0 0 392.204 5.647 50 0 GKAARN COc1ccc(OC)c(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)c1 ZINC000001217208 570258920 /nfs/dbraw/zinc/25/89/20/570258920.db2.gz SCLPZASGAOAIIC-UHFFFAOYSA-N 0 0 398.462 5.480 50 0 GKAARN O=C(Nc1ncc(Cc2cccc3ccccc32)s1)c1ccccc1Cl ZINC000001217367 570258933 /nfs/dbraw/zinc/25/89/33/570258933.db2.gz DFSKOYHLJBUONA-UHFFFAOYSA-N 0 0 378.884 5.793 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2ccccc2c1 ZINC000001262479 570259688 /nfs/dbraw/zinc/25/96/88/570259688.db2.gz WBEQWXZVIFFFLK-UHFFFAOYSA-N 0 0 384.401 5.711 50 0 GKAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(Cl)c2)n1 ZINC000001389625 570261939 /nfs/dbraw/zinc/26/19/39/570261939.db2.gz BWUFXVPFMXXCRL-UHFFFAOYSA-N 0 0 381.646 5.286 50 0 GKAARN CCc1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000049004747 570262084 /nfs/dbraw/zinc/26/20/84/570262084.db2.gz HGLFGWVCNRSRJQ-UHFFFAOYSA-N 0 0 388.515 5.260 50 0 GKAARN CC(C)c1ccc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000023319632 570262200 /nfs/dbraw/zinc/26/22/00/570262200.db2.gz HZUYDQXHGZSXFN-UHFFFAOYSA-N 0 0 393.499 7.245 50 0 GKAARN CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1 ZINC000001413969 570262513 /nfs/dbraw/zinc/26/25/13/570262513.db2.gz LSUDFBVHTRMDKS-UHFFFAOYSA-N 0 0 386.451 5.383 50 0 GKAARN O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3cccc4ccccc43)N12 ZINC000001411864 570262524 /nfs/dbraw/zinc/26/25/24/570262524.db2.gz CFAFOWJFQKLIQR-QHCPKHFHSA-N 0 0 382.488 5.183 50 0 GKAARN CC(C)(C)c1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2ccccc2)n1 ZINC000023320585 570262660 /nfs/dbraw/zinc/26/26/60/570262660.db2.gz MSHFUIANGLLSQE-UHFFFAOYSA-N 0 0 387.405 5.441 50 0 GKAARN Cc1nc2ccccc2nc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000001426994 570262842 /nfs/dbraw/zinc/26/28/42/570262842.db2.gz MXRHRWRFIZEJKU-UHFFFAOYSA-N 0 0 390.512 5.578 50 0 GKAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)C1(C)C ZINC000001427355 570262865 /nfs/dbraw/zinc/26/28/65/570262865.db2.gz XTFNNCQVXAXZOU-OXJNMPFZSA-N 0 0 396.918 5.769 50 0 GKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccccc1C ZINC000023321438 570262931 /nfs/dbraw/zinc/26/29/31/570262931.db2.gz NAIKFOKVSQHOHC-UHFFFAOYSA-N 0 0 379.481 5.076 50 0 GKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2ccccc2Cl)n1 ZINC000023321251 570262943 /nfs/dbraw/zinc/26/29/43/570262943.db2.gz KZRLZNOVJHJOLM-UHFFFAOYSA-N 0 0 389.833 5.354 50 0 GKAARN Cc1oc2cc(OCc3ccc(Cl)cc3)ccc2c(=O)c1Oc1ccccc1 ZINC000000842830 570263019 /nfs/dbraw/zinc/26/30/19/570263019.db2.gz BIAVPPVCCCDBRH-UHFFFAOYSA-N 0 0 392.838 6.126 50 0 GKAARN Clc1ccc(CN2CCC(c3nnc(-c4ccco4)s3)CC2)cc1Cl ZINC000049366548 570263093 /nfs/dbraw/zinc/26/30/93/570263093.db2.gz ZKBVVWHRFXZNPM-UHFFFAOYSA-N 0 0 394.327 5.485 50 0 GKAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073335 570263135 /nfs/dbraw/zinc/26/31/35/570263135.db2.gz HRDDPCIWPKQVQZ-CQSZACIVSA-N 0 0 398.289 5.967 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000098073342 570263162 /nfs/dbraw/zinc/26/31/62/570263162.db2.gz POOAOQDDJOENCY-INIZCTEOSA-N 0 0 377.871 5.622 50 0 GKAARN CCN(CC)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1C ZINC000001440378 570263185 /nfs/dbraw/zinc/26/31/85/570263185.db2.gz KFFNFCNQJVNYRS-UHFFFAOYSA-N 0 0 385.558 5.182 50 0 GKAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000002260044 570263262 /nfs/dbraw/zinc/26/32/62/570263262.db2.gz XRMLQZBUBWLCMC-UHFFFAOYSA-N 0 0 392.911 5.640 50 0 GKAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCc2ccco2)cc1 ZINC000001447574 570263539 /nfs/dbraw/zinc/26/35/39/570263539.db2.gz JKURSCUPQBTARJ-UHFFFAOYSA-N 0 0 380.451 5.601 50 0 GKAARN Cc1ccc(C)n1-n1c(C)nc2scc(-c3ccc(C(C)(C)C)cc3)c2c1=O ZINC000001465665 570263906 /nfs/dbraw/zinc/26/39/06/570263906.db2.gz RVONLPUKULKMNI-UHFFFAOYSA-N 0 0 391.540 5.461 50 0 GKAARN Brc1ccc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000097323812 570264119 /nfs/dbraw/zinc/26/41/19/570264119.db2.gz JYUJIDOTZMPODL-JYRVWZFOSA-N 0 0 376.253 6.428 50 0 GKAARN CCc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000006125448 570264202 /nfs/dbraw/zinc/26/42/02/570264202.db2.gz RDAXYUZXZNIQNR-UHFFFAOYSA-N 0 0 386.882 6.370 50 0 GKAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cc(F)ccc1F ZINC000015800082 570264214 /nfs/dbraw/zinc/26/42/14/570264214.db2.gz CUDKMPFMIOUPBV-MRVPVSSYSA-N 0 0 384.860 5.347 50 0 GKAARN CC(C)(C)c1cc2cc(N(Cc3ccccn3)C(=O)c3cccs3)ccc2[nH]1 ZINC000001501616 570264236 /nfs/dbraw/zinc/26/42/36/570264236.db2.gz OHOJXTCUVCYFIP-UHFFFAOYSA-N 0 0 389.524 5.769 50 0 GKAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000085988078 570264431 /nfs/dbraw/zinc/26/44/31/570264431.db2.gz FPVLRSKOLVTRHE-DLBZAZTESA-N 0 0 381.690 5.157 50 0 GKAARN Fc1cccc(-c2nnc([C@H](NCc3ccccc3)c3ccc(Cl)cc3)o2)c1 ZINC000020522701 570265470 /nfs/dbraw/zinc/26/54/70/570265470.db2.gz GTTDYAQWNKYNPB-HXUWFJFHSA-N 0 0 393.849 5.408 50 0 GKAARN CC(C)OP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(C)C ZINC000001624287 570266108 /nfs/dbraw/zinc/26/61/08/570266108.db2.gz OPYDNGQRKKKKNC-UHFFFAOYSA-N 0 0 384.497 6.530 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1OC(F)(F)F ZINC000012854144 570266887 /nfs/dbraw/zinc/26/68/87/570266887.db2.gz BAXSSZTXUPZSFI-UHFFFAOYSA-N 0 0 398.431 5.009 50 0 GKAARN c1ccc(C2=C(c3ccccc3)OC(c3ccccc3)=C(c3ccccc3)O2)cc1 ZINC000001684662 570267264 /nfs/dbraw/zinc/26/72/64/570267264.db2.gz KPABPYSZTYNHLF-UHFFFAOYSA-N 0 0 388.466 7.085 50 0 GKAARN C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000013988205 570267389 /nfs/dbraw/zinc/26/73/89/570267389.db2.gz IQEMAABJKNVLGV-MNOVXSKESA-N 0 0 388.747 6.005 50 0 GKAARN CCc1ccccc1NC(=O)SCCSC(=O)Nc1ccccc1CC ZINC000001753365 570267860 /nfs/dbraw/zinc/26/78/60/570267860.db2.gz UZBZJINIAOPCHJ-UHFFFAOYSA-N 0 0 388.558 6.042 50 0 GKAARN Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000001773352 570268081 /nfs/dbraw/zinc/26/80/81/570268081.db2.gz XUOYOSXYJFWDLQ-UHFFFAOYSA-N 0 0 395.499 5.282 50 0 GKAARN C[C@H](CC(=O)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1)CC(C)(C)C ZINC000022629768 570268123 /nfs/dbraw/zinc/26/81/23/570268123.db2.gz OGNSQNINJZGSJN-UZUQRXQVSA-N 0 0 383.963 6.277 50 0 GKAARN O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccco1 ZINC000001518393 570268188 /nfs/dbraw/zinc/26/81/88/570268188.db2.gz VHKLATZESSCQEY-UHFFFAOYSA-N 0 0 380.494 5.749 50 0 GKAARN CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCC3 ZINC000001774618 570268227 /nfs/dbraw/zinc/26/82/27/570268227.db2.gz HTWQAGGYHICPJI-UHFFFAOYSA-N 0 0 398.597 5.917 50 0 GKAARN CC[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)OCc1ccccc1 ZINC000001778518 570268465 /nfs/dbraw/zinc/26/84/65/570268465.db2.gz MSWPGAGXJVSYLQ-INIZCTEOSA-N 0 0 398.553 5.184 50 0 GKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(F)cc1F ZINC000012862485 570268475 /nfs/dbraw/zinc/26/84/75/570268475.db2.gz CDZPRWKCDCQJKK-UHFFFAOYSA-N 0 0 394.830 5.214 50 0 GKAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001800454 570268691 /nfs/dbraw/zinc/26/86/91/570268691.db2.gz NUFYUWLRYCWSTO-UHFFFAOYSA-N 0 0 379.459 6.185 50 0 GKAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000015830308 570268795 /nfs/dbraw/zinc/26/87/95/570268795.db2.gz DMJNYDKFFKCKDK-LJQANCHMSA-N 0 0 383.904 5.469 50 0 GKAARN CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000001820159 570269011 /nfs/dbraw/zinc/26/90/11/570269011.db2.gz ZKTTUOTVHBUTQV-UHFFFAOYSA-N 0 0 388.536 5.048 50 0 biogenic GKAARN Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000020586485 570269196 /nfs/dbraw/zinc/26/91/96/570269196.db2.gz FNCHZNJVNAKFAJ-GOSISDBHSA-N 0 0 393.556 5.176 50 0 GKAARN COc1ccc2c(c1)-c1c(=S)n(-c3ccc(C(C)C)cc3)sc1C(C)(C)N2 ZINC000001835771 570269366 /nfs/dbraw/zinc/26/93/66/570269366.db2.gz HJDZUOFUKZISGO-UHFFFAOYSA-N 0 0 396.581 6.728 50 0 GKAARN Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1-c1ccccc1 ZINC000001821657 570269398 /nfs/dbraw/zinc/26/93/98/570269398.db2.gz AHWAAPIIQOGWLZ-UHFFFAOYSA-N 0 0 387.792 6.044 50 0 GKAARN CCCCN(C(=O)c1sc2nc(C3CC3)nc(C)c2c1C)c1ccccc1 ZINC000012866148 570269516 /nfs/dbraw/zinc/26/95/16/570269516.db2.gz IZXVQSYCCKCBRN-UHFFFAOYSA-N 0 0 379.529 5.632 50 0 GKAARN CC(C)C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000049573929 570269982 /nfs/dbraw/zinc/26/99/82/570269982.db2.gz FYKCMPQDEIFGFS-GOSISDBHSA-N 0 0 389.421 5.028 50 0 GKAARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CCCc1ccccc1 ZINC000001911940 570270100 /nfs/dbraw/zinc/27/01/00/570270100.db2.gz SXTBVZKLAROLEW-UHFFFAOYSA-N 0 0 380.900 5.411 50 0 GKAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc2ccccc21 ZINC000001895309 570270193 /nfs/dbraw/zinc/27/01/93/570270193.db2.gz CYYAJLUOLGZVRF-UHFFFAOYSA-N 0 0 387.460 5.607 50 0 GKAARN Cc1ccccc1NC(=O)CCc1ccc(-c2ccc(Br)cc2)o1 ZINC000004542726 570270525 /nfs/dbraw/zinc/27/05/25/570270525.db2.gz RZNJODUNTUWFSE-UHFFFAOYSA-N 0 0 384.273 5.589 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C4CCCC4)c3n2)s1 ZINC000020603500 570270589 /nfs/dbraw/zinc/27/05/89/570270589.db2.gz QUOZOYOZGWHUSQ-UHFFFAOYSA-N 0 0 393.484 5.544 50 0 GKAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020603230 570270607 /nfs/dbraw/zinc/27/06/07/570270607.db2.gz YDLDNYZAVGJYLI-UHFFFAOYSA-N 0 0 379.819 5.047 50 0 GKAARN CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n([C@@H](C)CC)c3n2)cc1 ZINC000020603613 570270647 /nfs/dbraw/zinc/27/06/47/570270647.db2.gz AJOUSKZEQQZIOV-NSHDSACASA-N 0 0 389.471 5.592 50 0 GKAARN CCCC(c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O ZINC000002170768 570270613 /nfs/dbraw/zinc/27/06/13/570270613.db2.gz WYIHUDNDPCJCJL-UHFFFAOYSA-N 0 0 382.588 7.242 50 0 GKAARN CC(C)[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 ZINC000049592594 570270863 /nfs/dbraw/zinc/27/08/63/570270863.db2.gz IKBUVTXHPIOQEA-FQEVSTJZSA-N 0 0 377.419 5.089 50 0 GKAARN Cc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)s1 ZINC000020604729 570270895 /nfs/dbraw/zinc/27/08/95/570270895.db2.gz YNSSEONYEXOEEL-UHFFFAOYSA-N 0 0 377.366 5.615 50 0 GKAARN CCc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccccc4F)c3n2)cc1 ZINC000020605375 570270898 /nfs/dbraw/zinc/27/08/98/570270898.db2.gz IEYYJOQJEUJFAD-UHFFFAOYSA-N 0 0 385.364 5.808 50 0 GKAARN C[C@H](CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)NCc1ccccc1 ZINC000033895255 570271120 /nfs/dbraw/zinc/27/11/20/570271120.db2.gz KSLAABIUMTXJJJ-MRXNPFEDSA-N 0 0 393.433 5.157 50 0 GKAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000020606902 570271283 /nfs/dbraw/zinc/27/12/83/570271283.db2.gz UQQJNMAQXDWRLE-UHFFFAOYSA-N 0 0 398.249 5.157 50 0 GKAARN CC(=O)O[C@@H](C(=O)OC[C@]1(c2ccccc2)CCC(=C(C)C)C1)c1ccccc1 ZINC000043198738 570271402 /nfs/dbraw/zinc/27/14/02/570271402.db2.gz KYDWEXULNKMZFA-NOZRDPDXSA-N 0 0 392.495 5.292 50 0 GKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)cc1 ZINC000020608015 570271633 /nfs/dbraw/zinc/27/16/33/570271633.db2.gz LMKMYNTWXCFPJC-UHFFFAOYSA-N 0 0 391.418 5.037 50 0 GKAARN Cc1cccc([C@H](Sc2ccccc2N)[C@H]2COc3ccccc3C2=O)c1 ZINC000045027547 570271687 /nfs/dbraw/zinc/27/16/87/570271687.db2.gz GKJOSTZAAOWRNL-MBSDFSHPSA-N 0 0 375.493 5.302 50 0 GKAARN CCCCCCc1c2c(c(CCCCCC)c3c1[C@H]1C=C[C@@H]3O1)[C@@H]1C=C[C@H]2O1 ZINC000043763035 570271714 /nfs/dbraw/zinc/27/17/14/570271714.db2.gz MRIPPQMFDPCVPP-URSFVKLHSA-N 0 0 378.556 7.297 50 0 GKAARN CCCc1ccc(N2C(=O)C[C@H](Sc3ccc4ccccc4c3)C2=O)cc1 ZINC000100394221 570271844 /nfs/dbraw/zinc/27/18/44/570271844.db2.gz SOVSAKRHQCZIRW-NRFANRHFSA-N 0 0 375.493 5.217 50 0 GKAARN CC(C)=CCC[C@@H](C)OCCOc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000045071663 570271961 /nfs/dbraw/zinc/27/19/61/570271961.db2.gz DYZFZXVVZCXNDO-LJQANCHMSA-N 0 0 388.529 5.050 50 0 GKAARN COC(=O)c1sc2ccc(OCc3ccc4ccccc4n3)cc2c1Cl ZINC000045068874 570272026 /nfs/dbraw/zinc/27/20/26/570272026.db2.gz MUELGYOMSIXINI-UHFFFAOYSA-N 0 0 383.856 5.469 50 0 GKAARN CCC1(CC)O[C@H](c2cccc(I)c2)Nc2ccccc21 ZINC000137336870 570272076 /nfs/dbraw/zinc/27/20/76/570272076.db2.gz MALVVXJPRLQSLG-QGZVFWFLSA-N 0 0 393.268 5.447 50 0 GKAARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1 ZINC000100425916 570272255 /nfs/dbraw/zinc/27/22/55/570272255.db2.gz SKINTVJMMWHYKK-ZBLYBZFDSA-N 0 0 394.518 6.932 50 0 GKAARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000100429563 570272270 /nfs/dbraw/zinc/27/22/70/570272270.db2.gz KWBQHVANZIHARK-FYSMJZIKSA-N 0 0 386.451 5.917 50 0 GKAARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1 ZINC000100425922 570272291 /nfs/dbraw/zinc/27/22/91/570272291.db2.gz SKINTVJMMWHYKK-KDYSTLNUSA-N 0 0 394.518 6.932 50 0 GKAARN O=C1c2ccccc2[C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N12 ZINC000100425192 570272319 /nfs/dbraw/zinc/27/23/19/570272319.db2.gz CYYJKHHAWOYZRN-LFVRLGFBSA-N 0 0 398.487 5.925 50 0 GKAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1C ZINC000020615135 570272339 /nfs/dbraw/zinc/27/23/39/570272339.db2.gz BJTCBJIBNDVHNR-UHFFFAOYSA-N 0 0 375.444 5.256 50 0 GKAARN COc1cccc(-c2cc(C(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)c1 ZINC000020615173 570272356 /nfs/dbraw/zinc/27/23/56/570272356.db2.gz UALFXWPCQFKWJI-UHFFFAOYSA-N 0 0 393.437 5.710 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020615054 570272372 /nfs/dbraw/zinc/27/23/72/570272372.db2.gz COPXQLCKRKDMOR-UHFFFAOYSA-N 0 0 383.829 6.046 50 0 GKAARN C[C@@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)c1ccccc1 ZINC000049863922 570272545 /nfs/dbraw/zinc/27/25/45/570272545.db2.gz NPHDZZJREJZVIA-LLVKDONJSA-N 0 0 376.503 5.166 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c2ccccc12 ZINC000002052019 570272629 /nfs/dbraw/zinc/27/26/29/570272629.db2.gz WMLSGZVCRMRBSJ-UHFFFAOYSA-N 0 0 394.499 6.677 50 0 GKAARN Clc1ccc(OCCSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000002051991 570272639 /nfs/dbraw/zinc/27/26/39/570272639.db2.gz JDAUDNXNQYPPMK-UHFFFAOYSA-N 0 0 394.927 5.909 50 0 GKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CCc1ccccc1 ZINC000002053538 570272686 /nfs/dbraw/zinc/27/26/86/570272686.db2.gz UTRNQNGXRKFLIC-MHZLTWQESA-N 0 0 383.535 6.141 50 0 GKAARN CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1C ZINC000002052126 570272691 /nfs/dbraw/zinc/27/26/91/570272691.db2.gz JZHWULFOYGWMLK-UHFFFAOYSA-N 0 0 397.569 5.665 50 0 GKAARN CC[C@@H](NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccc(C)cc1 ZINC000020616356 570272707 /nfs/dbraw/zinc/27/27/07/570272707.db2.gz AUVUESRERVXGQX-JOCHJYFZSA-N 0 0 378.472 5.060 50 0 GKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000002052778 570272702 /nfs/dbraw/zinc/27/27/02/570272702.db2.gz GQRXKRZINAYXOH-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Br)c2ccccc21 ZINC000002060608 570272812 /nfs/dbraw/zinc/27/28/12/570272812.db2.gz QXOLXOGRODSIPW-UHFFFAOYSA-N 0 0 397.677 5.023 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccc2ccccc21 ZINC000002055685 570272843 /nfs/dbraw/zinc/27/28/43/570272843.db2.gz QIWOSWXNNYOFGW-UHFFFAOYSA-N 0 0 391.426 5.866 50 0 GKAARN Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccc(Cl)cc2Cl)c1 ZINC000002054542 570272906 /nfs/dbraw/zinc/27/29/06/570272906.db2.gz ZWGMFTCSMOWWNX-UHFFFAOYSA-N 0 0 397.349 6.636 50 0 GKAARN Cc1ccccc1C(=O)Oc1ccc2ccc(OC(=O)c3ccccc3C)cc2c1 ZINC000002069661 570273464 /nfs/dbraw/zinc/27/34/64/570273464.db2.gz OAAZOFCBHQKGEQ-UHFFFAOYSA-N 0 0 396.442 5.895 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Oc3cc(C)ccc3C(C)C)c3ccccc3n2)cc1 ZINC000002079402 570273620 /nfs/dbraw/zinc/27/36/20/570273620.db2.gz IGBKJGZQXPPYQL-UHFFFAOYSA-N 0 0 395.502 6.861 50 0 GKAARN Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1 ZINC000002079507 570273643 /nfs/dbraw/zinc/27/36/43/570273643.db2.gz CCWITSGJPKIVRH-UHFFFAOYSA-N 0 0 395.458 5.558 50 0 GKAARN COc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)c3cc(C)ccc3n2)cc1 ZINC000002079385 570273654 /nfs/dbraw/zinc/27/36/54/570273654.db2.gz AQBAIXHRJOEGEQ-UHFFFAOYSA-N 0 0 397.474 6.055 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002081524 570273745 /nfs/dbraw/zinc/27/37/45/570273745.db2.gz DNDJLBIYUGVJQR-UHFFFAOYSA-N 0 0 393.273 6.461 50 0 GKAARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 ZINC000100640770 570273878 /nfs/dbraw/zinc/27/38/78/570273878.db2.gz KQJHMFWYOIUVOG-CLOONOSVSA-N 0 0 381.479 6.019 50 0 GKAARN CCc1ccc(-c2cc(C(=O)Nc3ccccc3C(C)C)c3ccccc3n2)cc1 ZINC000002081875 570273970 /nfs/dbraw/zinc/27/39/70/570273970.db2.gz BQPULZVYZJUCNB-UHFFFAOYSA-N 0 0 394.518 6.840 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCC2 ZINC000002085924 570274225 /nfs/dbraw/zinc/27/42/25/570274225.db2.gz BDMRTTSQNFPVPN-CCEZHUSRSA-N 0 0 383.513 5.236 50 0 GKAARN Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OC(C)C)c1C ZINC000002086193 570274226 /nfs/dbraw/zinc/27/42/26/570274226.db2.gz XQDTXICHMBCLKQ-UHFFFAOYSA-N 0 0 386.300 5.489 50 0 GKAARN c1ccc(-c2ccc(Oc3nc(-c4cccnc4)nc4ccccc43)cc2)cc1 ZINC000002087943 570274273 /nfs/dbraw/zinc/27/42/73/570274273.db2.gz QYGANAPYCORJMJ-UHFFFAOYSA-N 0 0 375.431 6.151 50 0 GKAARN CCCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C1CCC1 ZINC000002091380 570274286 /nfs/dbraw/zinc/27/42/86/570274286.db2.gz AUPAGBZZDJTCIY-UHFFFAOYSA-N 0 0 387.501 5.119 50 0 GKAARN C[S@@](=O)Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)s2)c1 ZINC000115263191 570274860 /nfs/dbraw/zinc/27/48/60/570274860.db2.gz ORYIBXQHEJHFQI-VWLOTQADSA-N 0 0 389.929 5.199 50 0 GKAARN CC(C)c1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)s1 ZINC000012875460 570274863 /nfs/dbraw/zinc/27/48/63/570274863.db2.gz WVIJQDYUGIIJGO-UHFFFAOYSA-N 0 0 387.892 5.146 50 0 GKAARN CC[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(C)cc1 ZINC000002106215 570274895 /nfs/dbraw/zinc/27/48/95/570274895.db2.gz KKKSSEYWZGBJDC-OAHLLOKOSA-N 0 0 378.324 6.398 50 0 GKAARN CCOc1cccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 ZINC000002103288 570274908 /nfs/dbraw/zinc/27/49/08/570274908.db2.gz IQMWSSNPEWUSAP-UHFFFAOYSA-N 0 0 380.513 5.759 50 0 GKAARN CSc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)CC(c1ccccc1)=N2 ZINC000100717298 570274954 /nfs/dbraw/zinc/27/49/54/570274954.db2.gz UXAOVIYHPXGCHQ-INIZCTEOSA-N 0 0 389.311 5.363 50 0 GKAARN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccccc1 ZINC000002122074 570275119 /nfs/dbraw/zinc/27/51/19/570275119.db2.gz NFWKMZYEKRHPAV-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc(C)cc5)c4cc32)cc1 ZINC000002126347 570275162 /nfs/dbraw/zinc/27/51/62/570275162.db2.gz SAXYQNCCUIOJBZ-UHFFFAOYSA-N 0 0 382.415 6.190 50 0 biogenic GKAARN Cc1cc(C)c(NC(=O)CN(C)Cc2nc3ccccc3c(C)c2Cl)c(C)c1 ZINC000020689303 570275224 /nfs/dbraw/zinc/27/52/24/570275224.db2.gz NTJWYSQMQKAMAH-UHFFFAOYSA-N 0 0 395.934 5.192 50 0 GKAARN CC(C)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000023322769 570275679 /nfs/dbraw/zinc/27/56/79/570275679.db2.gz FFMXZKWERCYTCA-UHFFFAOYSA-N 0 0 379.481 5.195 50 0 GKAARN O=C(Nc1ccc(Cl)cc1SCc1ccccc1)c1ccccc1Cl ZINC000002144686 570276107 /nfs/dbraw/zinc/27/61/07/570276107.db2.gz QSUSDAFTFFGHST-UHFFFAOYSA-N 0 0 388.319 6.538 50 0 GKAARN Cc1nc(-c2ccccc2)sc1C(=O)Sc1ccc(C(F)(F)F)cc1 ZINC000002151705 570276512 /nfs/dbraw/zinc/27/65/12/570276512.db2.gz RTDTUBZNXIWSAC-UHFFFAOYSA-N 0 0 379.428 6.070 50 0 GKAARN CCCCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1Cl ZINC000002170906 570276944 /nfs/dbraw/zinc/27/69/44/570276944.db2.gz LKFHCWKFQWKTNU-UHFFFAOYSA-N 0 0 384.932 6.627 50 0 GKAARN Clc1csc(Br)c1-c1c(Cl)csc1Br ZINC000002172857 570277245 /nfs/dbraw/zinc/27/72/45/570277245.db2.gz UIFNNMSZJJJIJX-UHFFFAOYSA-N 0 0 392.952 6.308 50 0 GKAARN CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 ZINC000002179060 570277252 /nfs/dbraw/zinc/27/72/52/570277252.db2.gz SKWWKOPDZAXNKG-UHFFFAOYSA-N 0 0 376.591 5.734 50 0 GKAARN Cc1cc(-c2ccccc2)n(-c2ccccc2)c2nn(-c3ccccc3)c(=O)c1-2 ZINC000002178935 570277293 /nfs/dbraw/zinc/27/72/93/570277293.db2.gz VOKQMHDRLJFEOS-UHFFFAOYSA-N 0 0 377.447 5.103 50 0 GKAARN c1cc(-c2ccc(-c3ccc(-c4ccccc4)s3)cc2)sc1-c1ccccc1 ZINC000002173006 570277377 /nfs/dbraw/zinc/27/73/77/570277377.db2.gz MSLOGOFSUAKXGW-UHFFFAOYSA-N 0 0 394.564 8.478 50 0 GKAARN O=C(CCc1ccccc1)N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002183329 570277482 /nfs/dbraw/zinc/27/74/82/570277482.db2.gz SPHGAUKNVAGAKD-NDEPHWFRSA-N 0 0 391.514 6.192 50 0 GKAARN CCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002182360 570277516 /nfs/dbraw/zinc/27/75/16/570277516.db2.gz YSRQEPWLWMVPFX-INIZCTEOSA-N 0 0 398.572 5.291 50 0 GKAARN Cn1c2cn(-c3ccccc3)c(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccccc1 ZINC000015858711 570277693 /nfs/dbraw/zinc/27/76/93/570277693.db2.gz ZAEQVSWWPCPLHM-UHFFFAOYSA-N 0 0 399.881 5.440 50 0 GKAARN Cc1ccc(-n2c(=O)c3c(nc2SCCC(C)C)sc2c3CCCC2)cc1 ZINC000002183410 570277834 /nfs/dbraw/zinc/27/78/34/570277834.db2.gz HBRPKBIWJIBYHA-UHFFFAOYSA-N 0 0 398.597 5.773 50 0 GKAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000020734291 570277865 /nfs/dbraw/zinc/27/78/65/570277865.db2.gz DOIAGGKQQYGYHK-UHFFFAOYSA-N 0 0 398.437 5.130 50 0 GKAARN Cc1cccc2c1NC(C)(C)c1sn(-c3cccc(Cl)c3C)c(=S)c1-2 ZINC000002183556 570277871 /nfs/dbraw/zinc/27/78/71/570277871.db2.gz LEOFFWGTIXIUPW-UHFFFAOYSA-N 0 0 386.973 6.866 50 0 GKAARN O=C(Nc1ccccc1)c1cnn2c1N=C(c1ccccc1)C[C@H]2c1ccccc1 ZINC000015860904 570277958 /nfs/dbraw/zinc/27/79/58/570277958.db2.gz GMUBUJWIDAOCJO-QHCPKHFHSA-N 0 0 392.462 5.191 50 0 GKAARN CCc1cccc(C)c1NC(=O)CCCOc1cccc(Br)c1 ZINC000006152506 570278003 /nfs/dbraw/zinc/27/80/03/570278003.db2.gz CZDYGATUBUOSFW-UHFFFAOYSA-N 0 0 376.294 5.118 50 0 GKAARN Cc1cc(C)c(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)c(C)c1 ZINC000002188130 570278141 /nfs/dbraw/zinc/27/81/41/570278141.db2.gz VNHXNXNMMHBSFU-PUUKEUDRSA-N 0 0 381.519 6.238 50 0 GKAARN Brc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)s1 ZINC000002187018 570278170 /nfs/dbraw/zinc/27/81/70/570278170.db2.gz XCIHBXUZRBLEKV-UHFFFAOYSA-N 0 0 385.330 5.536 50 0 GKAARN C[C@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100822004 570278211 /nfs/dbraw/zinc/27/82/11/570278211.db2.gz DVKDIXUNHPLEDU-KNXBSLHKSA-N 0 0 391.511 5.702 50 0 GKAARN CC(=O)[C@H](C(=O)c1ccc(F)cc1)C1c2ccccc2Sc2ccccc21 ZINC000100833007 570278224 /nfs/dbraw/zinc/27/82/24/570278224.db2.gz PYEVAXSVSVWERE-NRFANRHFSA-N 0 0 376.452 5.510 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000002188957 570278235 /nfs/dbraw/zinc/27/82/35/570278235.db2.gz TXXCSQKLRCMJLK-UHFFFAOYSA-N 0 0 385.920 5.332 50 0 GKAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@](C)(OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000006158915 570278255 /nfs/dbraw/zinc/27/82/55/570278255.db2.gz WDZHDVCCYZLFGX-CRJLIHAFSA-N 0 0 388.548 5.203 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006154037 570278281 /nfs/dbraw/zinc/27/82/81/570278281.db2.gz DFSSUPHPKWLIQG-UHFFFAOYSA-N 0 0 377.831 5.144 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3)sc2c1 ZINC000002197368 570278849 /nfs/dbraw/zinc/27/88/49/570278849.db2.gz RJZFVUWLHOUJMJ-INIZCTEOSA-N 0 0 388.492 5.678 50 0 GKAARN Cc1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1C ZINC000002213231 570279160 /nfs/dbraw/zinc/27/91/60/570279160.db2.gz SDLHSYHYISVPHQ-UHFFFAOYSA-N 0 0 396.082 5.219 50 0 GKAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)c(Cl)c2)c1 ZINC000000642765 570279389 /nfs/dbraw/zinc/27/93/89/570279389.db2.gz VTXUKFWPOAAAHA-UHFFFAOYSA-N 0 0 378.859 5.461 50 0 GKAARN O=C(c1cc2c(cccc2F)s1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024695680 570279431 /nfs/dbraw/zinc/27/94/31/570279431.db2.gz QEDDKWJMSZRVDK-ZDUSSCGKSA-N 0 0 380.444 5.201 50 0 GKAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002225241 570279548 /nfs/dbraw/zinc/27/95/48/570279548.db2.gz CSQNRWTWRPIAKV-UHFFFAOYSA-N 0 0 398.433 6.553 50 0 GKAARN CSc1ncnc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000000643083 570279591 /nfs/dbraw/zinc/27/95/91/570279591.db2.gz ZGIGAIUDCRWZDZ-UHFFFAOYSA-N 0 0 383.445 5.709 50 0 GKAARN CCc1c(C)sc2c1CCN(Cc1ccc(F)cc1Cl)[C@@H]2c1ccccc1 ZINC000015864899 570280129 /nfs/dbraw/zinc/28/01/29/570280129.db2.gz MFDKRCFRFDVBEY-JOCHJYFZSA-N 0 0 399.962 6.559 50 0 GKAARN Cc1ccc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1F ZINC000015864993 570280190 /nfs/dbraw/zinc/28/01/90/570280190.db2.gz DKKCPJMARXNPRI-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN CCCCOc1ccc(-c2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000002255530 570280447 /nfs/dbraw/zinc/28/04/47/570280447.db2.gz ITEIHERMZLYJHK-UHFFFAOYSA-N 0 0 398.488 5.037 50 0 GKAARN CCN1c2ccc(Br)cc2[C@H](Cc2oc3ccc(C)cc3c2C)C1=O ZINC000101014160 570280534 /nfs/dbraw/zinc/28/05/34/570280534.db2.gz FHNYEUFDLUCVBW-KRWDZBQOSA-N 0 0 398.300 5.505 50 0 GKAARN O=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1ccncc1 ZINC000000648111 570280682 /nfs/dbraw/zinc/28/06/82/570280682.db2.gz DVWOGFWRUVBTFS-UHFFFAOYSA-N 0 0 396.899 5.159 50 0 GKAARN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000000648387 570280702 /nfs/dbraw/zinc/28/07/02/570280702.db2.gz MIICWRACPJRLMF-PXAZEXFGSA-N 0 0 382.287 5.037 50 0 GKAARN Cc1cccc2c1N(C(=O)Cc1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002271815 570280896 /nfs/dbraw/zinc/28/08/96/570280896.db2.gz ZSECKKFBCUPNBF-UHFFFAOYSA-N 0 0 397.590 6.339 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1 ZINC000002272741 570280922 /nfs/dbraw/zinc/28/09/22/570280922.db2.gz LPCXNRMWINUHAZ-FQEVSTJZSA-N 0 0 393.284 5.529 50 0 GKAARN Cc1cc(C)cc(-n2sc3c(c2=S)-c2cc(C)cc(C)c2NC3(C)C)c1 ZINC000002277647 570280996 /nfs/dbraw/zinc/28/09/96/570280996.db2.gz PQCRGMTUPHLYQG-UHFFFAOYSA-N 0 0 380.582 6.830 50 0 GKAARN CCc1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002289137 570281334 /nfs/dbraw/zinc/28/13/34/570281334.db2.gz HUXUIHUTTGPOPG-HHHXNRCGSA-N 0 0 383.535 6.384 50 0 GKAARN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000006175262 570281441 /nfs/dbraw/zinc/28/14/41/570281441.db2.gz BOMBHFBZTCWGJH-SFHVURJKSA-N 0 0 393.577 6.239 50 0 GKAARN CN(Cc1cccc(Cl)c1Cl)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173706 570281499 /nfs/dbraw/zinc/28/14/99/570281499.db2.gz XCEBSZAPPXIVCV-FQEVSTJZSA-N 0 0 397.305 5.519 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc2ccccc21 ZINC000002300792 570281543 /nfs/dbraw/zinc/28/15/43/570281543.db2.gz CEORQGXKUUEORN-UHFFFAOYSA-N 0 0 398.428 6.101 50 0 GKAARN Cc1cc2c(cc1C)N(C(=O)CSc1nc3ccccc3[nH]1)C(C)(C)C=C2C ZINC000002299645 570281579 /nfs/dbraw/zinc/28/15/79/570281579.db2.gz UJPWEWQBHITGDY-UHFFFAOYSA-N 0 0 391.540 5.501 50 0 GKAARN CCN(CC)c1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1 ZINC000002299290 570281583 /nfs/dbraw/zinc/28/15/83/570281583.db2.gz WCUYUUKFHRHKRG-LNVKXUELSA-N 0 0 395.597 6.216 50 0 GKAARN CCCN(CCC)c1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000002294103 570281627 /nfs/dbraw/zinc/28/16/27/570281627.db2.gz CJGLAUDBGAFEDM-UHFFFAOYSA-N 0 0 384.549 5.026 50 0 GKAARN CCn1cc([C@H](CC(=O)NCc2ccccc2)c2ccc(C)cc2)c2ccccc21 ZINC000006724438 570281664 /nfs/dbraw/zinc/28/16/64/570281664.db2.gz AJHXBSLKBGKBOY-XMMPIXPASA-N 0 0 396.534 5.808 50 0 GKAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000002304888 570281862 /nfs/dbraw/zinc/28/18/62/570281862.db2.gz GQXHKQHUGACNBS-QGZVFWFLSA-N 0 0 399.494 5.761 50 0 GKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000002311835 570282267 /nfs/dbraw/zinc/28/22/67/570282267.db2.gz MEPJCQOWCCADRL-HRAATJIYSA-N 0 0 376.887 5.932 50 0 GKAARN COc1ccc(-c2cccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)c2)cc1 ZINC000002311598 570282302 /nfs/dbraw/zinc/28/23/02/570282302.db2.gz RZTGQLWZVYDWCV-UHFFFAOYSA-N 0 0 393.442 6.514 50 0 biogenic GKAARN CC[C@@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 ZINC000002311644 570282306 /nfs/dbraw/zinc/28/23/06/570282306.db2.gz DKNUKARCOUKTJE-OAQYLSRUSA-N 0 0 382.463 6.141 50 0 GKAARN Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3cccc(F)c3)c3ccc(C)cc32)cc1 ZINC000002333806 570282853 /nfs/dbraw/zinc/28/28/53/570282853.db2.gz AAKMQRFRNKSENC-WZONZLPQSA-N 0 0 388.486 6.035 50 0 GKAARN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3cccc(F)c3)c3ccc(C)cc32)cc1 ZINC000002333808 570282957 /nfs/dbraw/zinc/28/29/57/570282957.db2.gz AAKMQRFRNKSENC-MBSDFSHPSA-N 0 0 388.486 6.035 50 0 GKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc(F)ccc1F ZINC000010695426 570283089 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Cc1ccc(C(=O)CCSCCSCCC(=O)c2ccc(C)cc2)cc1 ZINC000002520637 570289632 /nfs/dbraw/zinc/28/96/32/570289632.db2.gz SYPDRRAVZMXPSU-UHFFFAOYSA-N 0 0 386.582 5.616 50 0 GKAARN O=C(CCc1ccc(Br)cc1)c1ccc(Br)c(F)c1 ZINC000002516771 570289660 /nfs/dbraw/zinc/28/96/60/570289660.db2.gz KOQBRZUBFGUJQS-UHFFFAOYSA-N 0 0 386.058 5.166 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1cc(Br)c(Br)s1 ZINC000012905442 570289827 /nfs/dbraw/zinc/28/98/27/570289827.db2.gz SLRKZSDLSZKTQX-UHFFFAOYSA-N 0 0 389.112 5.142 50 0 GKAARN COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(F)c(F)c3)o2)cc1 ZINC000012907437 570289876 /nfs/dbraw/zinc/28/98/76/570289876.db2.gz NOOLIVODUUXYAE-CQSZACIVSA-N 0 0 385.410 5.043 50 0 GKAARN O=C(c1ccccc1)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012905776 570289882 /nfs/dbraw/zinc/28/98/82/570289882.db2.gz KWBORQHQUYHGGJ-UHFFFAOYSA-N 0 0 380.875 5.090 50 0 GKAARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(F)cc1F ZINC000021310715 570290070 /nfs/dbraw/zinc/29/00/70/570290070.db2.gz VTOOLXOPAVIBOR-LBPRGKRZSA-N 0 0 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O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023335044 570321625 /nfs/dbraw/zinc/32/16/25/570321625.db2.gz AYICFHHYJYXBBM-UHFFFAOYSA-N 0 0 387.870 5.327 50 0 GKAARN CCOc1cccc(-c2nc3ccccc3c(=O)n2-c2ccc([C@H](C)CC)cc2)c1 ZINC000023335297 570321690 /nfs/dbraw/zinc/32/16/90/570321690.db2.gz IRQYZVLIHBMEKK-GOSISDBHSA-N 0 0 398.506 5.965 50 0 GKAARN CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1cc(C)ccc1C ZINC000002979333 570321867 /nfs/dbraw/zinc/32/18/67/570321867.db2.gz UUPTYCSCCCOJRS-UHFFFAOYSA-N 0 0 380.513 5.640 50 0 GKAARN COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)cc1 ZINC000002979809 570321870 /nfs/dbraw/zinc/32/18/70/570321870.db2.gz NAYUHWYORGFCBW-UHFFFAOYSA-N 0 0 393.295 5.686 50 0 GKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000002979227 570321932 /nfs/dbraw/zinc/32/19/32/570321932.db2.gz IMCIWGGRSLLYMS-GFCCVEGCSA-N 0 0 386.369 5.383 50 0 GKAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000002979054 570321948 /nfs/dbraw/zinc/32/19/48/570321948.db2.gz 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C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 ZINC000002987263 570323302 /nfs/dbraw/zinc/32/33/02/570323302.db2.gz APUKYKPMBYZSOP-HRAATJIYSA-N 0 0 391.902 6.324 50 0 GKAARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 ZINC000002986644 570323355 /nfs/dbraw/zinc/32/33/55/570323355.db2.gz SYBHDTSBHTVRMV-UHFFFAOYSA-N 0 0 390.870 6.524 50 0 GKAARN COc1cc(C=O)ccc1OCCCOc1cccc(Oc2ccccc2)c1 ZINC000002987077 570323393 /nfs/dbraw/zinc/32/33/93/570323393.db2.gz HLMCMFNUCAJJKO-UHFFFAOYSA-N 0 0 378.424 5.148 50 0 GKAARN Cc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccc(F)cc2)cc1 ZINC000023433960 570323484 /nfs/dbraw/zinc/32/34/84/570323484.db2.gz NUPMXYKPOJVHIU-UHFFFAOYSA-N 0 0 388.442 5.426 50 0 GKAARN CC(C)(C)SCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002987969 570323629 /nfs/dbraw/zinc/32/36/29/570323629.db2.gz NMBYFXYHKLGCBD-UHFFFAOYSA-N 0 0 394.005 5.894 50 0 GKAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000022622331 570323854 /nfs/dbraw/zinc/32/38/54/570323854.db2.gz 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570324105 /nfs/dbraw/zinc/32/41/05/570324105.db2.gz PZMAPPZWCDHIIX-UHFFFAOYSA-N 0 0 392.405 5.257 50 0 GKAARN CC1CCN(c2nc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)CC1 ZINC000023443236 570324123 /nfs/dbraw/zinc/32/41/23/570324123.db2.gz OXAMFXDQFAWCIO-UHFFFAOYSA-N 0 0 379.507 6.200 50 0 GKAARN Brc1ccc(OCCCCn2c3ccccc3c3ccccc32)cc1 ZINC000002993209 570324272 /nfs/dbraw/zinc/32/42/72/570324272.db2.gz YMFTUXSZSBTVDR-UHFFFAOYSA-N 0 0 394.312 6.416 50 0 GKAARN CCc1cc(=O)oc2cc(OCc3ccccc3Br)c(Cl)cc12 ZINC000002994606 570324342 /nfs/dbraw/zinc/32/43/42/570324342.db2.gz NHHFMAKBIBYMMU-UHFFFAOYSA-N 0 0 393.664 5.350 50 0 GKAARN O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc(F)cc1 ZINC000023447711 570324416 /nfs/dbraw/zinc/32/44/16/570324416.db2.gz HFQCBAGCYGRWRJ-UHFFFAOYSA-N 0 0 391.833 5.584 50 0 GKAARN CCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 ZINC000002996053 570324534 /nfs/dbraw/zinc/32/45/34/570324534.db2.gz HFRAKQWXVBVJHP-NTKDMRAZSA-N 0 0 392.543 5.876 50 0 GKAARN 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570326586 /nfs/dbraw/zinc/32/65/86/570326586.db2.gz MJOAVHYPOIJRTM-UHFFFAOYSA-N 0 0 383.687 6.078 50 0 GKAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(C)cc2C)cs1)c1ccccc1 ZINC000007610146 570326719 /nfs/dbraw/zinc/32/67/19/570326719.db2.gz IJYCUZZVQLRHAC-ZRDIBKRKSA-N 0 0 391.496 5.096 50 0 GKAARN C[C@@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000022192807 570326854 /nfs/dbraw/zinc/32/68/54/570326854.db2.gz OAHJHMUARYQBNB-CYBMUJFWSA-N 0 0 377.362 5.003 50 0 GKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccc(Cl)cc3)nc2n1 ZINC000003041425 570326934 /nfs/dbraw/zinc/32/69/34/570326934.db2.gz QSQZKYACMGZWSX-UHFFFAOYSA-N 0 0 391.702 6.064 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)sc2c1 ZINC000003071592 570327534 /nfs/dbraw/zinc/32/75/34/570327534.db2.gz KAFMUQDWTVBDDR-UHFFFAOYSA-N 0 0 378.884 6.177 50 0 GKAARN COc1ccc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 ZINC000011689797 570327561 /nfs/dbraw/zinc/32/75/61/570327561.db2.gz LMGYFTLZTMMVAN-UHFFFAOYSA-N 0 0 378.815 5.409 50 0 GKAARN 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CCCCc1ccc(NC(=O)CSc2cccc(Cl)c2Cl)c(C)c1 ZINC000003137696 570330340 /nfs/dbraw/zinc/33/03/40/570330340.db2.gz VQCDVLWQGUUJOX-UHFFFAOYSA-N 0 0 382.356 6.375 50 0 GKAARN C=C1S[C@](c2ccc(C)cc2)(C(F)(F)F)NC(=O)N1c1ccc(C)cc1 ZINC000003145502 570330806 /nfs/dbraw/zinc/33/08/06/570330806.db2.gz DHGHULONYVYMFQ-GOSISDBHSA-N 0 0 378.419 5.453 50 0 GKAARN C[C@@H]1CCO[P@](=O)(C2(Nc3ccc(Cl)c(Cl)c3)CCCCC2)O1 ZINC000003149491 570331166 /nfs/dbraw/zinc/33/11/66/570331166.db2.gz VUFSEIDNUJEDPV-SFDCACGMSA-N 0 0 378.236 6.084 50 0 GKAARN O=C(NCCOc1ccccc1Cc1ccccc1)Nc1cccc2ccccc21 ZINC000003162208 570331173 /nfs/dbraw/zinc/33/11/73/570331173.db2.gz LYWWMXHBVBNJFX-UHFFFAOYSA-N 0 0 396.490 5.631 50 0 GKAARN Cc1ccc(Oc2c(F)c(F)c(Oc3ccc(C)c(C)c3)c(F)c2F)cc1C ZINC000003168075 570331180 /nfs/dbraw/zinc/33/11/80/570331180.db2.gz KKEGNKCNXUANMH-UHFFFAOYSA-N 0 0 390.376 7.061 50 0 GKAARN CC(C)(C)c1cc(C(=O)Nc2ccc(Br)cc2)cc(C(C)(C)C)c1 ZINC000003182141 570331713 /nfs/dbraw/zinc/33/17/13/570331713.db2.gz 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570335228 /nfs/dbraw/zinc/33/52/28/570335228.db2.gz OUWRKLDMOVKHSR-UHFFFAOYSA-N 0 0 381.357 5.272 50 0 GKAARN CCCN(CCC)C(=O)c1cc(-c2cccc(F)c2)n2nc(C(C)(C)C)cc2n1 ZINC000034832609 570335420 /nfs/dbraw/zinc/33/54/20/570335420.db2.gz HSKXGGUFNXGJKU-UHFFFAOYSA-N 0 0 396.510 5.095 50 0 GKAARN CCCCCCNC(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn21 ZINC000034833288 570335576 /nfs/dbraw/zinc/33/55/76/570335576.db2.gz UKJRSAITFTXYJJ-UHFFFAOYSA-N 0 0 378.520 5.004 50 0 GKAARN Cc1sc2ccccc2c1[C@H]1CC(=O)Nc2nc(Nc3ccccc3)sc21 ZINC000035324864 570335697 /nfs/dbraw/zinc/33/56/97/570335697.db2.gz CEFCQNLIJFKKKE-OAHLLOKOSA-N 0 0 391.521 5.884 50 0 GKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000003296247 570336169 /nfs/dbraw/zinc/33/61/69/570336169.db2.gz CHZKTNCNWMIEOS-MDWZMJQESA-N 0 0 384.907 5.854 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000007544532 570336918 /nfs/dbraw/zinc/33/69/18/570336918.db2.gz SPOIKPATRPJVFO-MRXNPFEDSA-N 0 0 381.907 5.400 50 0 GKAARN Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000034794865 570336932 /nfs/dbraw/zinc/33/69/32/570336932.db2.gz HKQJTDGTPRQRAS-UHFFFAOYSA-N 0 0 399.416 5.842 50 0 GKAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034794702 570337044 /nfs/dbraw/zinc/33/70/44/570337044.db2.gz GLDRFSZMGUCLDJ-GOSISDBHSA-N 0 0 381.907 5.815 50 0 GKAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034794721 570337168 /nfs/dbraw/zinc/33/71/68/570337168.db2.gz AYUNQJMUGMFYJM-UHFFFAOYSA-N 0 0 375.806 5.213 50 0 GKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)Cc1ccccc1 ZINC000034795586 570337289 /nfs/dbraw/zinc/33/72/89/570337289.db2.gz ZHWYKZVRUCRGQT-UHFFFAOYSA-N 0 0 387.405 5.229 50 0 GKAARN CCc1[nH]nc(CCc2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034795338 570337335 /nfs/dbraw/zinc/33/73/35/570337335.db2.gz HYRGPSVEEDTXCO-UHFFFAOYSA-N 0 0 387.405 5.028 50 0 GKAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccccc1Cl ZINC000034795216 570337487 /nfs/dbraw/zinc/33/74/87/570337487.db2.gz VTAJGFAUJABJCU-UHFFFAOYSA-N 0 0 397.906 5.062 50 0 GKAARN CC[C@H](C(=O)Nc1c(C)[nH]nc1-c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000034795715 570337508 /nfs/dbraw/zinc/33/75/08/570337508.db2.gz BWEJQUVUQARGOF-FQEVSTJZSA-N 0 0 375.516 5.815 50 0 GKAARN CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000034796269 570337931 /nfs/dbraw/zinc/33/79/31/570337931.db2.gz WGRZFSQAOXYMPP-UHFFFAOYSA-N 0 0 390.270 5.207 50 0 GKAARN CC[C@@H](C(=O)Nc1c(CC(C)C)[nH]nc1-c1ccccc1OC)c1ccccc1 ZINC000034796343 570338051 /nfs/dbraw/zinc/33/80/51/570338051.db2.gz BWKJOXOZAZSOKS-GOSISDBHSA-N 0 0 391.515 5.416 50 0 GKAARN COc1ccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2-c2ccccc2)cc1OC ZINC000034796425 570338096 /nfs/dbraw/zinc/33/80/96/570338096.db2.gz WFOFNVHSODXXGM-UHFFFAOYSA-N 0 0 399.450 5.013 50 0 GKAARN CC(C)c1ccc(NC(=O)Nc2c(-c3cccc(Cl)c3)n[nH]c2C2CC2)cc1 ZINC000034796553 570338305 /nfs/dbraw/zinc/33/83/05/570338305.db2.gz YUUHSTDBRZOFCZ-UHFFFAOYSA-N 0 0 394.906 6.375 50 0 GKAARN CC(=O)c1ccc(Oc2cc(C)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000000797406 570338554 /nfs/dbraw/zinc/33/85/54/570338554.db2.gz DKRHMMZRKHICAW-UHFFFAOYSA-N 0 0 383.245 5.209 50 0 GKAARN CCCCCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O ZINC000011691914 570339013 /nfs/dbraw/zinc/33/90/13/570339013.db2.gz JGCIMWAEPQEPCV-UHFFFAOYSA-N 0 0 394.898 7.209 50 0 GKAARN Cc1cc(OCc2noc(-c3ccccc3C(F)(F)F)n2)ccc1C(C)C ZINC000034907092 570339361 /nfs/dbraw/zinc/33/93/61/570339361.db2.gz PDTYWSNIAVNUPD-UHFFFAOYSA-N 0 0 376.378 5.766 50 0 GKAARN O=C(NCCCNc1nc2ccccc2n1C1CCCCC1)C1CCCCC1 ZINC000034906823 570339500 /nfs/dbraw/zinc/33/95/00/570339500.db2.gz LNFRMDVKMKZVDF-UHFFFAOYSA-N 0 0 382.552 5.040 50 0 GKAARN CCn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1C1CC1 ZINC000022988552 570339629 /nfs/dbraw/zinc/33/96/29/570339629.db2.gz UKRMXTNHPJMWKJ-UHFFFAOYSA-N 0 0 395.315 5.430 50 0 GKAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(Cl)cc1 ZINC000034907546 570339798 /nfs/dbraw/zinc/33/97/98/570339798.db2.gz ZBFAYFYUPZJSCQ-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/34/01/46/570340146.db2.gz QCAWMBLOUZSZIR-UHFFFAOYSA-N 0 0 385.492 5.050 50 0 GKAARN CCCCc1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000006204313 570340287 /nfs/dbraw/zinc/34/02/87/570340287.db2.gz RAQHNDBEYHJDTA-UHFFFAOYSA-N 0 0 382.573 6.184 50 0 GKAARN Cc1cc(NC(=O)c2cccc(Br)c2)nn1-c1ccc(C(C)C)cc1 ZINC000034909456 570340339 /nfs/dbraw/zinc/34/03/39/570340339.db2.gz GTSBJJRKDOOFOG-UHFFFAOYSA-N 0 0 398.304 5.319 50 0 GKAARN CCCCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908769 570340396 /nfs/dbraw/zinc/34/03/96/570340396.db2.gz VGULPUDFVDBLLK-IBGZPJMESA-N 0 0 381.451 5.281 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000032948700 570340439 /nfs/dbraw/zinc/34/04/39/570340439.db2.gz OIXWQRVBTQLECE-UHFFFAOYSA-N 0 0 394.902 5.324 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000034909266 570340468 /nfs/dbraw/zinc/34/04/68/570340468.db2.gz HXMUXRSSIRHEED-UHFFFAOYSA-N 0 0 388.298 5.729 50 0 GKAARN CCCCNC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908711 570340498 /nfs/dbraw/zinc/34/04/98/570340498.db2.gz UBQITVVFKTUTMP-IBGZPJMESA-N 0 0 399.441 5.420 50 0 GKAARN CC(C)c1ccc(-n2ccc(NC(=O)c3cccc(Br)c3)n2)cc1 ZINC000034909305 570340575 /nfs/dbraw/zinc/34/05/75/570340575.db2.gz DRCKCUDCURPGOV-UHFFFAOYSA-N 0 0 384.277 5.011 50 0 GKAARN O=c1oc2ccccc2cc1-c1cnc(Nc2ccc(Cl)c(Cl)c2)s1 ZINC000000644828 570341077 /nfs/dbraw/zinc/34/10/77/570341077.db2.gz AVSQBWTXYYANAB-UHFFFAOYSA-N 0 0 389.263 5.967 50 0 GKAARN FC(F)(F)c1cnc(-c2c[nH]nc2-c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000218898685 570343208 /nfs/dbraw/zinc/34/32/08/570343208.db2.gz DDIHTNCFCSQTLE-UHFFFAOYSA-N 0 0 392.595 6.118 50 0 GKAARN C[C@@H](Nc1ccc2nc(C3CC3)sc2c1)C(=O)Nc1ccc(F)c(F)c1F ZINC000063891636 570343815 /nfs/dbraw/zinc/34/38/15/570343815.db2.gz VLFRIVSEOJLTRK-SECBINFHSA-N 0 0 391.418 5.030 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1cccc(Cl)c1 ZINC000034914954 570343924 /nfs/dbraw/zinc/34/39/24/570343924.db2.gz JPRIOZJSOIWRBQ-UHFFFAOYSA-N 0 0 397.812 5.494 50 0 GKAARN CCCn1nc(C(=O)Nc2cccc(Cl)c2)cc1-c1ccc(Cl)s1 ZINC000034902324 570344044 /nfs/dbraw/zinc/34/40/44/570344044.db2.gz FTDPXPJMIUNQEQ-UHFFFAOYSA-N 0 0 380.300 5.581 50 0 GKAARN CCCC[C@@H](CC)C(=O)Nc1c(-c2cc(C)cc(C)c2)nc2cc(C)ccn21 ZINC000034915040 570344353 /nfs/dbraw/zinc/34/43/53/570344353.db2.gz AESSQDOZIRNNAX-LJQANCHMSA-N 0 0 377.532 6.081 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)COCc1ccccc1 ZINC000034915065 570344361 /nfs/dbraw/zinc/34/43/61/570344361.db2.gz MFGFHVTZLNGPLO-UHFFFAOYSA-N 0 0 399.494 5.082 50 0 GKAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)[C@H]2C[C@H]2c2ccccc2)c1 ZINC000034915018 570344365 /nfs/dbraw/zinc/34/43/65/570344365.db2.gz JXGDRWXKXDGKTI-SFTDATJTSA-N 0 0 381.479 5.360 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034915038 570344380 /nfs/dbraw/zinc/34/43/80/570344380.db2.gz VLQLQXVOSNEGHK-LJQANCHMSA-N 0 0 391.559 6.327 50 0 GKAARN O=C(NCc1coc(-c2cccs2)n1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063914616 570345035 /nfs/dbraw/zinc/34/50/35/570345035.db2.gz GSAKGBQHAJBVGO-UHFFFAOYSA-N 0 0 389.889 5.043 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1c(Cl)cccc1Cl)CCCC3 ZINC000000803775 570345492 /nfs/dbraw/zinc/34/54/92/570345492.db2.gz JRIHHJXGHXXMEU-UHFFFAOYSA-N 0 0 392.311 5.316 50 0 GKAARN Cc1ccc(Cl)c(OCC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 ZINC000006237533 570346035 /nfs/dbraw/zinc/34/60/35/570346035.db2.gz YIGGLPBZOPVNNJ-UHFFFAOYSA-N 0 0 386.904 5.406 50 0 GKAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCc1c[nH]c2ccccc12 ZINC000035373589 570346091 /nfs/dbraw/zinc/34/60/91/570346091.db2.gz KSQQNUMCNSYPLP-UHFFFAOYSA-N 0 0 399.519 5.210 50 0 GKAARN O=C(Nc1cccc(F)c1)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000034928440 570346273 /nfs/dbraw/zinc/34/62/73/570346273.db2.gz TVDPFEOXPHTYKY-UHFFFAOYSA-N 0 0 399.469 5.419 50 0 GKAARN O=C(CSc1ccccc1)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912520 570346344 /nfs/dbraw/zinc/34/63/44/570346344.db2.gz UMBZLWVTCHMOAF-UHFFFAOYSA-N 0 0 393.899 5.386 50 0 GKAARN COc1ccc(-c2nc3ccccn3c2NC(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000034912726 570346465 /nfs/dbraw/zinc/34/64/65/570346465.db2.gz DOPCQWWYJGZEFQ-MRXNPFEDSA-N 0 0 379.504 5.411 50 0 GKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21)C1CCCCC1 ZINC000034912999 570346475 /nfs/dbraw/zinc/34/64/75/570346475.db2.gz XTMJISQMHFUUPN-UHFFFAOYSA-N 0 0 387.405 5.539 50 0 GKAARN CCCCCCC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000034912995 570346498 /nfs/dbraw/zinc/34/64/98/570346498.db2.gz INOWPBHLKIFMRF-UHFFFAOYSA-N 0 0 389.421 5.929 50 0 GKAARN CCCCc1ccc(C(=O)Nc2c(-c3ccc(OC)cc3)nc3ccccn32)cc1 ZINC000034912746 570346586 /nfs/dbraw/zinc/34/65/86/570346586.db2.gz PQIVSGXJFPPAHX-UHFFFAOYSA-N 0 0 399.494 5.605 50 0 GKAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000034912842 570346639 /nfs/dbraw/zinc/34/66/39/570346639.db2.gz PHTZPMPEBJFZBT-UHFFFAOYSA-N 0 0 396.277 5.869 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)c1cccc(Cl)c1 ZINC000034913279 570346804 /nfs/dbraw/zinc/34/68/04/570346804.db2.gz CWCGMMPNIZZPCR-UHFFFAOYSA-N 0 0 379.822 5.355 50 0 GKAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)c1ccc(Cl)c(Cl)c1 ZINC000034913087 570346892 /nfs/dbraw/zinc/34/68/92/570346892.db2.gz YGSQZHWYZNXMDQ-UHFFFAOYSA-N 0 0 396.277 5.484 50 0 GKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)C[C@@H](C)CC(C)(C)C ZINC000034913043 570346896 /nfs/dbraw/zinc/34/68/96/570346896.db2.gz XVIZVNPEIXLYER-LJQANCHMSA-N 0 0 391.559 5.829 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2NC(=O)/C=C/c1ccccc1 ZINC000034913189 570346902 /nfs/dbraw/zinc/34/69/02/570346902.db2.gz JHQWDZNGGWVOBA-ZHACJKMWSA-N 0 0 387.870 5.615 50 0 GKAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)CCC1CCCC1 ZINC000034913060 570346926 /nfs/dbraw/zinc/34/69/26/570346926.db2.gz UTOREXHDPKFNHJ-UHFFFAOYSA-N 0 0 375.516 5.337 50 0 GKAARN Cc1cc2c3c(c1)c(OCc1ccc(F)cc1)c(-c1ccccc1)c(=O)n3CCC2 ZINC000003466854 570347087 /nfs/dbraw/zinc/34/70/87/570347087.db2.gz VLDYTCHQRAJFMN-UHFFFAOYSA-N 0 0 399.465 5.641 50 0 GKAARN COc1cccc(-c2nc3ccccn3c2NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000034913378 570347183 /nfs/dbraw/zinc/34/71/83/570347183.db2.gz GKUAZOAGQSDCFQ-INIZCTEOSA-N 0 0 379.504 5.411 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn21)c1ccccc1 ZINC000034913307 570347250 /nfs/dbraw/zinc/34/72/50/570347250.db2.gz MVXVXTPKOYZKJD-FQEVSTJZSA-N 0 0 387.458 5.581 50 0 GKAARN Cc1ccc(COc2c3cc(C)cc4c3n(c(=O)c2-c2ccccc2)CCC4)cc1 ZINC000003466882 570347291 /nfs/dbraw/zinc/34/72/91/570347291.db2.gz WZKGRCVOMLRTOK-UHFFFAOYSA-N 0 0 395.502 5.811 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000022642921 570347519 /nfs/dbraw/zinc/34/75/19/570347519.db2.gz KKHHARIRJSRZOP-HNNXBMFYSA-N 0 0 387.545 5.993 50 0 GKAARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1Cl)O2 ZINC000004852501 570347502 /nfs/dbraw/zinc/34/75/02/570347502.db2.gz ROUVHHMTYZIHQQ-GMAHTHKFSA-N 0 0 390.870 5.591 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)CC1CCCC1 ZINC000022646636 570348178 /nfs/dbraw/zinc/34/81/78/570348178.db2.gz SEJAFXFHZMNTGP-HNNXBMFYSA-N 0 0 385.529 5.595 50 0 GKAARN COc1ccc([C@@H](NC(=O)c2nc(-c3ccccc3)oc2C)c2ccccc2)cc1 ZINC000007989148 570348534 /nfs/dbraw/zinc/34/85/34/570348534.db2.gz WFKYHXSEEWYYPR-QHCPKHFHSA-N 0 0 398.462 5.178 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2cc3ccccc3nc2Cl)N1C1CCCCC1 ZINC000003625363 570349199 /nfs/dbraw/zinc/34/91/99/570349199.db2.gz MXUMCCHDPDEPQU-JOCHJYFZSA-N 0 0 391.902 5.787 50 0 GKAARN O=C(Nc1cccc2cccnc21)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000006252818 570349999 /nfs/dbraw/zinc/34/99/99/570349999.db2.gz KRPYEJGVLYONQZ-UHFFFAOYSA-N 0 0 392.414 5.261 50 0 GKAARN CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000003666966 570350065 /nfs/dbraw/zinc/35/00/65/570350065.db2.gz MNVAMOHABXCGOG-JCFXXRHHSA-N 0 0 395.546 6.565 50 0 GKAARN CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 ZINC000003666944 570350071 /nfs/dbraw/zinc/35/00/71/570350071.db2.gz FUCNPQWQWZAETC-QHCPKHFHSA-N 0 0 390.458 5.632 50 0 GKAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000003668597 570350288 /nfs/dbraw/zinc/35/02/88/570350288.db2.gz ULRMZWDZTVQWFU-OAQYLSRUSA-N 0 0 397.305 6.381 50 0 GKAARN Cc1ccc(C)c(Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035400184 570350313 /nfs/dbraw/zinc/35/03/13/570350313.db2.gz ZJSCVDVBIYZTGV-UHFFFAOYSA-N 0 0 393.490 5.065 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004863100 570350529 /nfs/dbraw/zinc/35/05/29/570350529.db2.gz ORBLBEZCQIBCIS-ZCYQVOJMSA-N 0 0 382.507 6.226 50 0 GKAARN O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1cccc(Cl)c1 ZINC000035400175 570350546 /nfs/dbraw/zinc/35/05/46/570350546.db2.gz WBOXGTGSPQRUPY-UHFFFAOYSA-N 0 0 399.881 5.101 50 0 GKAARN O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc2ccccc2c1 ZINC000004862944 570350562 /nfs/dbraw/zinc/35/05/62/570350562.db2.gz WYYDUSCTMRDKAU-LFIBNONCSA-N 0 0 390.442 5.415 50 0 GKAARN Cc1ccc(C)c(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000004871132 570352297 /nfs/dbraw/zinc/35/22/97/570352297.db2.gz VDQIKRXKQUBEAX-UHFFFAOYSA-N 0 0 391.851 5.106 50 0 GKAARN Cc1nn(C(=O)[C@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000004871392 570352315 /nfs/dbraw/zinc/35/23/15/570352315.db2.gz RUDHCMFSSWANRF-JIRGEAHGSA-N 0 0 386.845 5.085 50 0 GKAARN C[C@H]1C[C@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000006268315 570353606 /nfs/dbraw/zinc/35/36/06/570353606.db2.gz BTKLISRXRMVGRX-BTYIYWSLSA-N 0 0 394.877 6.071 50 0 GKAARN C[C@H]1C[C@@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000006268386 570353723 /nfs/dbraw/zinc/35/37/23/570353723.db2.gz BTKLISRXRMVGRX-YCRPNKLZSA-N 0 0 394.877 6.071 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000004024102 570354938 /nfs/dbraw/zinc/35/49/38/570354938.db2.gz ZGDZDAPCWHIIKB-WCBDULRRSA-N 0 0 394.555 5.824 50 0 biogenic GKAARN COc1ccc(-c2nc(CSc3ccc4ccccc4c3)cs2)cc1OC ZINC000004886336 570355159 /nfs/dbraw/zinc/35/51/59/570355159.db2.gz FAXVXKZGXTXIQW-UHFFFAOYSA-N 0 0 393.533 6.273 50 0 GKAARN Cc1ccc2cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)sc3nc2c1 ZINC000004885853 570355255 /nfs/dbraw/zinc/35/52/55/570355255.db2.gz WZJQJPVXTMTJFE-UHFFFAOYSA-N 0 0 386.398 6.029 50 0 GKAARN COc1ccc2cc3cc(C(=O)N(C)c4cccc(Cl)c4)sc3nc2c1 ZINC000004886419 570355285 /nfs/dbraw/zinc/35/52/85/570355285.db2.gz BDCRCWAOXUQGMV-UHFFFAOYSA-N 0 0 382.872 5.388 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004033903 570355305 /nfs/dbraw/zinc/35/53/05/570355305.db2.gz DOQHMVSGBIHKDX-UHFFFAOYSA-N 0 0 389.458 6.149 50 0 GKAARN CCCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004883099 570355953 /nfs/dbraw/zinc/35/59/53/570355953.db2.gz KMTUFOSFWHFIBM-XNTDXEJSSA-N 0 0 380.897 5.428 50 0 GKAARN Cc1cc(C)c2c(n1)sc(NC(=O)Nc1ccc(Cl)cc1)c2-n1cccc1 ZINC000004052804 570355972 /nfs/dbraw/zinc/35/59/72/570355972.db2.gz XYEIUKGVJAZQHR-UHFFFAOYSA-N 0 0 396.903 6.001 50 0 GKAARN COc1ccccc1-n1c(/C=C/c2ccc(C(C)C)cc2)nc2ccccc2c1=O ZINC000004888985 570356600 /nfs/dbraw/zinc/35/66/00/570356600.db2.gz DCVIRZKWYHASTJ-SAPNQHFASA-N 0 0 396.490 5.688 50 0 GKAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000004091281 570356904 /nfs/dbraw/zinc/35/69/04/570356904.db2.gz QWLNTRSQVQSGSY-CQSZACIVSA-N 0 0 384.545 5.330 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)nc3ccccc32)cc1 ZINC000035429759 570357700 /nfs/dbraw/zinc/35/77/00/570357700.db2.gz UZKFVMKJMXDFCO-UHFFFAOYSA-N 0 0 386.430 5.382 50 0 GKAARN CCc1cccc(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1 ZINC000035429755 570357741 /nfs/dbraw/zinc/35/77/41/570357741.db2.gz VFTQRRHLRZVRNM-UHFFFAOYSA-N 0 0 382.467 5.497 50 0 GKAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(C)cc2)cc1 ZINC000004891534 570357750 /nfs/dbraw/zinc/35/77/50/570357750.db2.gz CSKPHUUHIRXURR-UHFFFAOYSA-N 0 0 391.540 5.147 50 0 GKAARN CCOc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)nc2c1 ZINC000004114842 570358031 /nfs/dbraw/zinc/35/80/31/570358031.db2.gz GRSXKDRCOBANSZ-ZSZQSSIHSA-N 0 0 390.549 5.058 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429777 570358130 /nfs/dbraw/zinc/35/81/30/570358130.db2.gz QLOOKUKIBDAJBK-UHFFFAOYSA-N 0 0 398.466 5.251 50 0 GKAARN O[C@]1(Cc2ccccc2)c2ccccc2-c2ccccc2[C@]1(O)Cc1ccccc1 ZINC000004114125 570358171 /nfs/dbraw/zinc/35/81/71/570358171.db2.gz ITZDZCBJMNNXPL-VSGBNLITSA-N 0 0 392.498 5.228 50 0 GKAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000004122463 570358431 /nfs/dbraw/zinc/35/84/31/570358431.db2.gz DLKYIQULZYBXKN-UHFFFAOYSA-N 0 0 398.249 5.757 50 0 GKAARN Clc1ccccc1[C@H]1[C@@H]2CCC/C(=C\c3ccco3)C2=NN1c1ccccc1 ZINC000004898979 570358649 /nfs/dbraw/zinc/35/86/49/570358649.db2.gz IAOPIHQPHYYGAG-JNNGWIAYSA-N 0 0 388.898 6.734 50 0 GKAARN COc1ccc2nc3sc(C(=O)Nc4nc5ccccc5s4)cc3cc2c1 ZINC000004900186 570359050 /nfs/dbraw/zinc/35/90/50/570359050.db2.gz CAVURUQHIRQVPU-UHFFFAOYSA-N 0 0 391.477 5.320 50 0 GKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 ZINC000004898449 570359141 /nfs/dbraw/zinc/35/91/41/570359141.db2.gz UDRZLISEXTZBMW-PIFVYSLYSA-N 0 0 394.518 6.284 50 0 GKAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000008146649 570359666 /nfs/dbraw/zinc/35/96/66/570359666.db2.gz SIVPJYXZRUXXMW-UHFFFAOYSA-N 0 0 396.874 5.079 50 0 GKAARN COc1ccc(Br)cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 ZINC000004144825 570359888 /nfs/dbraw/zinc/35/98/88/570359888.db2.gz BQMYWYFIVFXDSU-JXMROGBWSA-N 0 0 398.256 5.102 50 0 GKAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2cccc(C(F)(F)F)c2)c1 ZINC000004900801 570359951 /nfs/dbraw/zinc/35/99/51/570359951.db2.gz KVIOCDCDBNWQFW-IBGZPJMESA-N 0 0 383.373 5.180 50 0 GKAARN COc1ccc2nc3sc(C(=O)N(C)c4ccc(Cl)cc4)cc3cc2c1 ZINC000004900861 570360035 /nfs/dbraw/zinc/36/00/35/570360035.db2.gz LOCTUORRSIEPAO-UHFFFAOYSA-N 0 0 382.872 5.388 50 0 GKAARN CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2s1)c1cccc(Cl)c1 ZINC000004900899 570360064 /nfs/dbraw/zinc/36/00/64/570360064.db2.gz WQKZFVSBWBBEMS-UHFFFAOYSA-N 0 0 396.899 5.778 50 0 GKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1 ZINC000035446779 570360219 /nfs/dbraw/zinc/36/02/19/570360219.db2.gz FWTUNQJISFPQQA-UHFFFAOYSA-N 0 0 386.499 5.043 50 0 biogenic GKAARN COc1ccc2nc3sc(C(=O)Nc4cccc(SC)c4)cc3cc2c1 ZINC000004901124 570360274 /nfs/dbraw/zinc/36/02/74/570360274.db2.gz WGUVBQWQYRLNDQ-UHFFFAOYSA-N 0 0 380.494 5.432 50 0 GKAARN Cc1cccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1C ZINC000035446650 570360390 /nfs/dbraw/zinc/36/03/90/570360390.db2.gz WKLJBSHUQZRYOI-UHFFFAOYSA-N 0 0 386.499 5.043 50 0 biogenic GKAARN CCCCOc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000004902474 570360553 /nfs/dbraw/zinc/36/05/53/570360553.db2.gz ZTFPJABEPJUPHY-UHFFFAOYSA-N 0 0 394.323 6.639 50 0 GKAARN Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000006281415 570360555 /nfs/dbraw/zinc/36/05/55/570360555.db2.gz FBICTXIYAAOJGD-UHFFFAOYSA-N 0 0 387.192 5.645 50 0 GKAARN CCc1cccc(CC)c1NC(=S)NCCc1c(C)[nH]c2ccc(F)cc21 ZINC000004904950 570361007 /nfs/dbraw/zinc/36/10/07/570361007.db2.gz QLGRLWGZXBJRIJ-UHFFFAOYSA-N 0 0 383.536 5.269 50 0 GKAARN CCOc1ccc(NC(=S)NCCc2c(C)[nH]c3ccc(Cl)cc32)cc1 ZINC000004905172 570361381 /nfs/dbraw/zinc/36/13/81/570361381.db2.gz NODMDLGNJMOTNZ-UHFFFAOYSA-N 0 0 387.936 5.058 50 0 GKAARN O=C(Nc1cc(Br)cc2cccnc21)C12CC3CC(CC(C3)C1)C2 ZINC000004181499 570361581 /nfs/dbraw/zinc/36/15/81/570361581.db2.gz JDAGXLVXSCSEBN-UHFFFAOYSA-N 0 0 385.305 5.152 50 0 GKAARN CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)N(CC)CCS3)c(C)c1 ZINC000004908650 570361788 /nfs/dbraw/zinc/36/17/88/570361788.db2.gz JGXAIOCBWDMDLA-UHFFFAOYSA-N 0 0 383.561 5.026 50 0 GKAARN COc1ccc(Nc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000004909858 570362120 /nfs/dbraw/zinc/36/21/20/570362120.db2.gz WUCHWNBMMXCLHG-IIBYNOLFSA-N 0 0 389.499 5.296 50 0 GKAARN O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004191143 570362234 /nfs/dbraw/zinc/36/22/34/570362234.db2.gz NTGBLFHZAKCNJI-UHFFFAOYSA-N 0 0 377.532 5.696 50 0 GKAARN COc1ccc(F)cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000023454462 570362737 /nfs/dbraw/zinc/36/27/37/570362737.db2.gz FDYGKBSVJSOKDD-UHFFFAOYSA-N 0 0 378.428 5.363 50 0 GKAARN Cc1ccc(Nc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)c(C)c1 ZINC000004911103 570363219 /nfs/dbraw/zinc/36/32/19/570363219.db2.gz FGTNXSLEEYKKJI-LAUBAEHRSA-N 0 0 387.527 5.904 50 0 GKAARN CC[C@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(OC)c1 ZINC000004913310 570363436 /nfs/dbraw/zinc/36/34/36/570363436.db2.gz KKDAFKPZMLCNBU-KRWDZBQOSA-N 0 0 395.572 5.667 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccccc1C ZINC000004913244 570363442 /nfs/dbraw/zinc/36/34/42/570363442.db2.gz OEBNIBCAESYOGR-GOSISDBHSA-N 0 0 379.573 5.967 50 0 GKAARN CSc1cccc(Nc2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c1 ZINC000004911503 570363446 /nfs/dbraw/zinc/36/34/46/570363446.db2.gz WIQVMVSWZAYQCC-UHFFFAOYSA-N 0 0 391.540 5.763 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(C)c(C)c1 ZINC000004913356 570363501 /nfs/dbraw/zinc/36/35/01/570363501.db2.gz CCYJJJJKVUVGSC-LJQANCHMSA-N 0 0 393.600 6.276 50 0 GKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(C)cc2C)cc1 ZINC000004913327 570363507 /nfs/dbraw/zinc/36/35/07/570363507.db2.gz UKPBKEVMAKLXKM-DEOSSOPVSA-N 0 0 396.490 5.554 50 0 GKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000004913404 570363514 /nfs/dbraw/zinc/36/35/14/570363514.db2.gz SDAHYXCXCNVZCX-QHCPKHFHSA-N 0 0 382.463 5.245 50 0 GKAARN CCOc1ccc(NC(=O)N(Cc2cn(CC)c3ccccc23)[C@H](C)CC)cc1 ZINC000004913133 570363529 /nfs/dbraw/zinc/36/35/29/570363529.db2.gz WLOCGSNQDOOGKI-GOSISDBHSA-N 0 0 393.531 5.893 50 0 GKAARN Cc1cc(C)cc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCC2)c1 ZINC000004912963 570363552 /nfs/dbraw/zinc/36/35/52/570363552.db2.gz PDSQTGHKVYRILA-UHFFFAOYSA-N 0 0 391.584 5.937 50 0 GKAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)nc2c1 ZINC000006292149 570363851 /nfs/dbraw/zinc/36/38/51/570363851.db2.gz OKJWHLKTNBCHGV-SNVBAGLBSA-N 0 0 380.300 5.297 50 0 GKAARN Cc1cc(C)c(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c(C)c1 ZINC000004915195 570364010 /nfs/dbraw/zinc/36/40/10/570364010.db2.gz KXLXSYRRMWVYGV-HSZRJFAPSA-N 0 0 390.914 6.032 50 0 GKAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1C ZINC000004915230 570364083 /nfs/dbraw/zinc/36/40/83/570364083.db2.gz OIRKEVKYSLQHDR-JOCHJYFZSA-N 0 0 376.887 5.724 50 0 GKAARN CCc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915233 570364162 /nfs/dbraw/zinc/36/41/62/570364162.db2.gz NMCHBPSEHRUMOI-QFIPXVFZSA-N 0 0 376.887 5.669 50 0 GKAARN CCc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004914889 570364185 /nfs/dbraw/zinc/36/41/85/570364185.db2.gz COABLNJBFAOAHT-QFIPXVFZSA-N 0 0 376.887 5.669 50 0 GKAARN COc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCC2)cc1 ZINC000004912061 570364289 /nfs/dbraw/zinc/36/42/89/570364289.db2.gz PBNAKLLYMYTQTN-UHFFFAOYSA-N 0 0 379.529 5.318 50 0 GKAARN CC(C)c1ccc(Nc2cc(C(=O)NC3CCCCC3)c3ccccc3n2)cc1 ZINC000004911685 570364299 /nfs/dbraw/zinc/36/42/99/570364299.db2.gz XMXPQHSKPGNAHR-UHFFFAOYSA-N 0 0 387.527 6.164 50 0 GKAARN CCc1cccc(C)c1NC(=S)N(Cc1c[nH]c2ccccc12)C1CCCC1 ZINC000004912139 570364335 /nfs/dbraw/zinc/36/43/35/570364335.db2.gz POBAVFPYFGBJNT-UHFFFAOYSA-N 0 0 391.584 6.180 50 0 GKAARN COc1ccccc1Nc1cc(C(=O)NC2CCC(C)CC2)c2ccccc2n1 ZINC000004911783 570364383 /nfs/dbraw/zinc/36/43/83/570364383.db2.gz BNTSEWVCQCMIOX-UHFFFAOYSA-N 0 0 389.499 5.296 50 0 GKAARN CC(C)c1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1 ZINC000004911693 570364438 /nfs/dbraw/zinc/36/44/38/570364438.db2.gz PKPUUYOYEPFOLO-UHFFFAOYSA-N 0 0 395.506 6.032 50 0 GKAARN CCc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000035463103 570364526 /nfs/dbraw/zinc/36/45/26/570364526.db2.gz QDQYBHYVYIVXDZ-XMMPIXPASA-N 0 0 383.491 5.344 50 0 GKAARN Cc1cc(C)cc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCC2)c1 ZINC000004912177 570364646 /nfs/dbraw/zinc/36/46/46/570364646.db2.gz LZFRILRNSXCZIU-UHFFFAOYSA-N 0 0 377.557 5.926 50 0 GKAARN Cc1ccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCC2)cc1C ZINC000004912302 570364648 /nfs/dbraw/zinc/36/46/48/570364648.db2.gz QSPUOCIHKKUJRD-UHFFFAOYSA-N 0 0 389.543 6.162 50 0 GKAARN COc1cccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCC2)c1 ZINC000004912288 570364717 /nfs/dbraw/zinc/36/47/17/570364717.db2.gz HDCFPINGVWYEMJ-UHFFFAOYSA-N 0 0 391.515 5.554 50 0 GKAARN CCc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1 ZINC000004912216 570364806 /nfs/dbraw/zinc/36/48/06/570364806.db2.gz DCHXHYXRCKRIPQ-UHFFFAOYSA-N 0 0 375.497 5.519 50 0 GKAARN COc1cccc2c1O[C@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@H]21 ZINC000004281946 570365438 /nfs/dbraw/zinc/36/54/38/570365438.db2.gz OXUTWAQDJGPUBG-NFBKMPQASA-N 0 0 390.870 5.591 50 0 GKAARN CCOc1ccc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc1 ZINC000004286126 570365635 /nfs/dbraw/zinc/36/56/35/570365635.db2.gz OITRLPNRUFTYHB-UHFFFAOYSA-N 0 0 394.518 6.845 50 0 GKAARN CCOc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2c(C)cccc2CC)cc1 ZINC000004918350 570365750 /nfs/dbraw/zinc/36/57/50/570365750.db2.gz VNLITZGMUCMADT-XMMPIXPASA-N 0 0 386.495 5.727 50 0 GKAARN CCOc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2c(C)cccc2CC)cc1 ZINC000004918347 570365788 /nfs/dbraw/zinc/36/57/88/570365788.db2.gz VNLITZGMUCMADT-DEOSSOPVSA-N 0 0 386.495 5.727 50 0 GKAARN COc1ccc([C@H](CNC(=O)CCc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000023573156 570366022 /nfs/dbraw/zinc/36/60/22/570366022.db2.gz CRIXCEDPJOSNJL-QHCPKHFHSA-N 0 0 398.506 5.057 50 0 GKAARN c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3ccccc3c2)cc1 ZINC000004301336 570366389 /nfs/dbraw/zinc/36/63/89/570366389.db2.gz GKFIGXUGTUBGNV-AZGAKELHSA-N 0 0 376.459 6.082 50 0 GKAARN COc1ccc(-c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC ZINC000004307293 570366664 /nfs/dbraw/zinc/36/66/64/570366664.db2.gz FVVURMPCGUWQAJ-UHFFFAOYSA-N 0 0 389.882 6.548 50 0 GKAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000118914856 570366795 /nfs/dbraw/zinc/36/67/95/570366795.db2.gz ZGDZDAPCWHIIKB-SOPGZXPBSA-N 0 0 394.555 5.824 50 0 GKAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000006305923 570367030 /nfs/dbraw/zinc/36/70/30/570367030.db2.gz AOCVDIMJAAOROT-UHFFFAOYSA-N 0 0 390.867 5.399 50 0 GKAARN CC[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000118915726 570367062 /nfs/dbraw/zinc/36/70/62/570367062.db2.gz QBDHHZLEIBPNSS-RRWSKYPASA-N 0 0 386.576 5.722 50 0 GKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000004309656 570367161 /nfs/dbraw/zinc/36/71/61/570367161.db2.gz KRSSOOBCZGVTKZ-IRLDBZIGSA-N 0 0 395.289 6.236 50 0 GKAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000004309600 570367263 /nfs/dbraw/zinc/36/72/63/570367263.db2.gz VMDBPNNUEHBEAV-IFMALSPDSA-N 0 0 395.289 6.236 50 0 GKAARN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915874 570367335 /nfs/dbraw/zinc/36/73/35/570367335.db2.gz WDZHDVCCYZLFGX-WQCLFZALSA-N 0 0 388.548 5.203 50 0 GKAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)[C@@H]2O ZINC000118916030 570367349 /nfs/dbraw/zinc/36/73/49/570367349.db2.gz VBRMEHQXAMZRMQ-CABAOGIISA-N 0 0 386.601 5.506 50 0 GKAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C)s2)c1 ZINC000023638010 570367610 /nfs/dbraw/zinc/36/76/10/570367610.db2.gz YJFRBOIGMWLLPM-AWEZNQCLSA-N 0 0 384.530 5.018 50 0 GKAARN CC(C)CC[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2CCC(C)C)cc1 ZINC000004321537 570367886 /nfs/dbraw/zinc/36/78/86/570367886.db2.gz HMFLCOGHDAOZKE-MOXQZVSFSA-N 0 0 384.564 5.708 50 0 GKAARN CC[C@H]1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2CC)c1 ZINC000004327490 570368216 /nfs/dbraw/zinc/36/82/16/570368216.db2.gz ZTIVJQZPGREOEC-PMACEKPBSA-N 0 0 386.540 5.279 50 0 GKAARN CCSc1ccccc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619851 570368485 /nfs/dbraw/zinc/36/84/85/570368485.db2.gz MRNRSFOSBOAMLR-UHFFFAOYSA-N 0 0 377.513 5.251 50 0 GKAARN CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000004333755 570368762 /nfs/dbraw/zinc/36/87/62/570368762.db2.gz LGJYDLQNPITECQ-LLVKDONJSA-N 0 0 392.908 5.347 50 0 GKAARN CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2c3cccc4cccc(c34)[C@H]12 ZINC000004334986 570369148 /nfs/dbraw/zinc/36/91/48/570369148.db2.gz SYZVGYQOFKBEKX-TZIWHRDSSA-N 0 0 376.843 5.071 50 0 GKAARN O=C(NCc1nccnc1-c1cccs1)N(c1ccccc1)c1ccccc1 ZINC000575620152 570369099 /nfs/dbraw/zinc/36/90/99/570369099.db2.gz KTHUJYHFQGGNSA-UHFFFAOYSA-N 0 0 386.480 5.253 50 0 GKAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000575620460 570369269 /nfs/dbraw/zinc/36/92/69/570369269.db2.gz RFFYXGHJCVXZPL-UHFFFAOYSA-N 0 0 385.389 5.158 50 0 GKAARN Brc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 ZINC000004336433 570369427 /nfs/dbraw/zinc/36/94/27/570369427.db2.gz DBUUTQFBKDPJHS-OAQYLSRUSA-N 0 0 394.337 6.807 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ccc(C)cn32)cc1 ZINC000004921885 570369604 /nfs/dbraw/zinc/36/96/04/570369604.db2.gz NVGSCEYOBSYCAW-UHFFFAOYSA-N 0 0 398.510 5.198 50 0 GKAARN Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 ZINC000004343887 570369636 /nfs/dbraw/zinc/36/96/36/570369636.db2.gz JHIAVJNQHKCIOU-VGSWGCGISA-N 0 0 377.509 6.515 50 0 GKAARN Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 ZINC000004343886 570369646 /nfs/dbraw/zinc/36/96/46/570369646.db2.gz JHIAVJNQHKCIOU-VGOFRKELSA-N 0 0 377.509 6.515 50 0 GKAARN Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 ZINC000004343832 570369702 /nfs/dbraw/zinc/36/97/02/570369702.db2.gz UIHTYLURQRTVDO-AUSIDOKSSA-N 0 0 375.924 6.870 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)CSc2c3ccccc3nc3c2CCCC3)[C@@H]1C ZINC000004922131 570369881 /nfs/dbraw/zinc/36/98/81/570369881.db2.gz OANLRFJMTGTVPD-MDZRGWNJSA-N 0 0 382.573 5.147 50 0 GKAARN Cc1cc(C)c(NC(=S)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000004347980 570370046 /nfs/dbraw/zinc/37/00/46/570370046.db2.gz GZHGYPZWCBRBFN-KRWDZBQOSA-N 0 0 398.572 5.190 50 0 GKAARN CC(C)CCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000004923891 570370294 /nfs/dbraw/zinc/37/02/94/570370294.db2.gz CZGHRFRCDYKHGL-UHFFFAOYSA-N 0 0 376.953 5.021 50 0 GKAARN COc1cc(Nc2c3cc(Cl)ccc3nc3c2CCCC3)cc(OC)c1OC 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/nfs/dbraw/zinc/37/24/12/570372412.db2.gz CGGXDLXLIDTQON-UHFFFAOYSA-N 0 0 376.840 5.028 50 0 GKAARN COc1ccc2c(c1)CC[C@@H]1C2=Nc2ccccc2S[C@@H]1c1ccc(C)cc1 ZINC000004389088 570372828 /nfs/dbraw/zinc/37/28/28/570372828.db2.gz ZKKGGQFTBQRPPF-PXDATVDWSA-N 0 0 385.532 6.534 50 0 GKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000035481368 570372997 /nfs/dbraw/zinc/37/29/97/570372997.db2.gz JOJWNBYDXCOSAS-OAQYLSRUSA-N 0 0 393.845 5.532 50 0 GKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)O[C@H](Cc1ccccc1)C(F)(F)F ZINC000004390146 570373003 /nfs/dbraw/zinc/37/30/03/570373003.db2.gz ZOMGMNPURQWZPP-CQSZACIVSA-N 0 0 393.283 5.307 50 0 GKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000035481383 570373011 /nfs/dbraw/zinc/37/30/11/570373011.db2.gz NOZLYHMEMMPUAK-QFIPXVFZSA-N 0 0 389.882 5.960 50 0 GKAARN FC(F)(F)c1oc(-c2ccc(Cl)cc2)cc1-c1nc(-c2cccs2)no1 ZINC000004390335 570373031 /nfs/dbraw/zinc/37/30/31/570373031.db2.gz MJYKYFTYTUKBGH-UHFFFAOYSA-N 0 0 396.777 6.397 50 0 GKAARN FC(F)(F)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 ZINC000004389096 570373072 /nfs/dbraw/zinc/37/30/72/570373072.db2.gz CGGHDIJVDHCOOT-AVRDEDQJSA-N 0 0 395.449 6.846 50 0 GKAARN CCc1cc2c(cc1-c1csc(-c3snnc3C)n1)C(C)(C)CCC2(C)C ZINC000004390529 570373149 /nfs/dbraw/zinc/37/31/49/570373149.db2.gz QQWWXZJYSZKKSM-UHFFFAOYSA-N 0 0 397.613 6.548 50 0 GKAARN Cc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(Cl)cc3)nc(C)c12 ZINC000004394671 570373439 /nfs/dbraw/zinc/37/34/39/570373439.db2.gz XTYTYLOVGHJMKG-UHFFFAOYSA-N 0 0 378.884 5.860 50 0 GKAARN Fc1ccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)cc1F ZINC000004390739 570373446 /nfs/dbraw/zinc/37/34/46/570373446.db2.gz JVNLHZKVPIQNGF-UHFFFAOYSA-N 0 0 377.506 6.234 50 0 GKAARN O=C(Sc1ccc(Cl)cc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000004394509 570373451 /nfs/dbraw/zinc/37/34/51/570373451.db2.gz FBHXSQPOWWMUSV-UHFFFAOYSA-N 0 0 399.682 6.965 50 0 GKAARN Cc1c2ccccc2sc1-c1csc(-c2ccc(-c3csnn3)cc2)n1 ZINC000004390736 570373466 /nfs/dbraw/zinc/37/34/66/570373466.db2.gz 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Cc1ccccc1-n1c(=O)c2c(nc1SCCC(C)C)sc1c2CCC1 ZINC000004438727 570375441 /nfs/dbraw/zinc/37/54/41/570375441.db2.gz XLPLSMWVXDGAMF-UHFFFAOYSA-N 0 0 384.570 5.383 50 0 GKAARN Cc1ccc2oc(=O)c3cc(C(=O)N(C)c4cc(Cl)ccc4C)sc3c2c1 ZINC000004939386 570375670 /nfs/dbraw/zinc/37/56/70/570375670.db2.gz XXVDFVJYNDUWSM-UHFFFAOYSA-N 0 0 397.883 5.555 50 0 GKAARN O=C(c1c[nH]c2ccccc12)[C@@H](N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000023956108 570375784 /nfs/dbraw/zinc/37/57/84/570375784.db2.gz UPFCETRJPVBKGT-UPVQGACJSA-N 0 0 382.463 5.205 50 0 GKAARN Cc1cc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)c(C)o1 ZINC000023957146 570375796 /nfs/dbraw/zinc/37/57/96/570375796.db2.gz LVVRWKJGRLPIBI-QGZVFWFLSA-N 0 0 394.500 5.283 50 0 GKAARN Cc1cc(-c2nnc(CN3CCc4sccc4[C@@H]3c3cccs3)o2)c(C)o1 ZINC000023968747 570375830 /nfs/dbraw/zinc/37/58/30/570375830.db2.gz GLKGSUWULHWYMV-LJQANCHMSA-N 0 0 397.525 5.217 50 0 GKAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccc(F)cc1 ZINC000004463100 570376012 /nfs/dbraw/zinc/37/60/12/570376012.db2.gz 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570378561 /nfs/dbraw/zinc/37/85/61/570378561.db2.gz BIMIBRYCCIOIQK-UHFFFAOYSA-N 0 0 395.260 5.173 50 0 GKAARN O=C1C(=O)N(C2CCCC2)[C@H](c2ccsc2)C1c1ccc2ccccc2n1 ZINC000024083657 570378592 /nfs/dbraw/zinc/37/85/92/570378592.db2.gz JKYWAPZYQUWUEL-HXUWFJFHSA-N 0 0 376.481 5.092 50 0 GKAARN CSc1ccc(Cl)c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 ZINC000004947911 570379156 /nfs/dbraw/zinc/37/91/56/570379156.db2.gz WYZHEDMKOXYEFB-QIIPPGSGSA-N 0 0 398.952 5.223 50 0 GKAARN COc1cc2c(cc1NC(=O)c1c(Cl)cccc1Cl)oc1ccccc12 ZINC000004504073 570380224 /nfs/dbraw/zinc/38/02/24/570380224.db2.gz RIJKMTBWIUTTLE-UHFFFAOYSA-N 0 0 386.234 6.154 50 0 GKAARN Cc1ccc([C@@H]2C(c3nc4ccccc4s3)C(=O)C(=O)N2c2ccccn2)cc1 ZINC000024193183 570380321 /nfs/dbraw/zinc/38/03/21/570380321.db2.gz LXICLXZSJKLMOW-HXUWFJFHSA-N 0 0 399.475 5.057 50 0 GKAARN COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccsc3)[nH]2)cc1OC ZINC000006720793 570380893 /nfs/dbraw/zinc/38/08/93/570380893.db2.gz SADMQACNUSEUAP-UHFFFAOYSA-N 0 0 392.480 5.498 50 0 GKAARN CCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccc(F)cc1 ZINC000004958467 570381370 /nfs/dbraw/zinc/38/13/70/570381370.db2.gz BDLAWXHEVDVGMV-UHFFFAOYSA-N 0 0 396.893 5.963 50 0 GKAARN CCc1ccc(N(CC)C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1 ZINC000004958457 570381438 /nfs/dbraw/zinc/38/14/38/570381438.db2.gz MUOZUELKGIDGIV-UHFFFAOYSA-N 0 0 392.930 5.996 50 0 GKAARN Cc1cccc(-c2noc(CN(C(=O)c3ccc(C)cc3Cl)C(C)C)n2)c1 ZINC000004958747 570381482 /nfs/dbraw/zinc/38/14/82/570381482.db2.gz KPYCNYHBWPJHQR-UHFFFAOYSA-N 0 0 383.879 5.058 50 0 GKAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1 ZINC000004958250 570381547 /nfs/dbraw/zinc/38/15/47/570381547.db2.gz WTHAOWQSIDBOBG-UHFFFAOYSA-N 0 0 378.903 6.143 50 0 GKAARN O=C(NCCCCc1ccccc1)c1ccccc1SCc1ccc(F)cc1 ZINC000004520441 570381570 /nfs/dbraw/zinc/38/15/70/570381570.db2.gz JUVXKBIQPCBEEQ-UHFFFAOYSA-N 0 0 393.527 5.871 50 0 GKAARN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccccc1 ZINC000004954592 570381684 /nfs/dbraw/zinc/38/16/84/570381684.db2.gz 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Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ccc(O)cc1F ZINC000124411086 570439857 /nfs/dbraw/zinc/43/98/57/570439857.db2.gz DRVSUCKIAGHPHD-UHFFFAOYSA-N 0 0 381.190 5.054 50 0 GKAARN COc1ccc([C@H](CNC(=O)c2ccccc2C)c2c[nH]c3ccccc32)cc1 ZINC000027744519 570441215 /nfs/dbraw/zinc/44/12/15/570441215.db2.gz WJSDIQJTPPALBF-QFIPXVFZSA-N 0 0 384.479 5.047 50 0 GKAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1ccccc1F ZINC000027744380 570441234 /nfs/dbraw/zinc/44/12/34/570441234.db2.gz IYBQWDLLVIILQK-SFHVURJKSA-N 0 0 392.861 5.522 50 0 GKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(C(C)C)cc1 ZINC000001904042 570441428 /nfs/dbraw/zinc/44/14/28/570441428.db2.gz YJANZWGRHCBYCT-FMIVXFBMSA-N 0 0 399.512 5.211 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(CSCc3cccc(F)c3)o2)[C@H]1C ZINC000248115864 570441423 /nfs/dbraw/zinc/44/14/23/570441423.db2.gz SHJNQEBVKTYVDB-VCBZYWHSSA-N 0 0 375.509 5.407 50 0 GKAARN Fc1ccccc1-c1nnc(SCc2cccc(Cl)c2)n1Cc1ccco1 ZINC000005478330 570441683 /nfs/dbraw/zinc/44/16/83/570441683.db2.gz IUQKTRDQGVVAFR-UHFFFAOYSA-N 0 0 399.878 5.671 50 0 GKAARN Fc1ccccc1-c1nc(-c2ncoc2-c2cccc(C(F)(F)F)c2)no1 ZINC000571244935 570442012 /nfs/dbraw/zinc/44/20/12/570442012.db2.gz FFIPQLZFHZAJQP-UHFFFAOYSA-N 0 0 375.281 5.217 50 0 GKAARN O=C(C(c1ccccc1)c1ccccc1)N(Cc1cccs1)c1ccccn1 ZINC000027749085 570442164 /nfs/dbraw/zinc/44/21/64/570442164.db2.gz GGOXCJGIXXQLLF-UHFFFAOYSA-N 0 0 384.504 5.508 50 0 GKAARN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027794703 570442947 /nfs/dbraw/zinc/44/29/47/570442947.db2.gz FWIWOFSWIJEOHO-FQEVSTJZSA-N 0 0 396.918 5.352 50 0 GKAARN Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000027794701 570442964 /nfs/dbraw/zinc/44/29/64/570442964.db2.gz FWIWOFSWIJEOHO-HXUWFJFHSA-N 0 0 396.918 5.352 50 0 GKAARN CC(C)c1ccc(C2=CC3=C(c4ccc(Cl)cc4Cl)CC(=O)NC3=N2)cc1 ZINC000005498586 570442895 /nfs/dbraw/zinc/44/28/95/570442895.db2.gz KQGQFIWTIFFRFI-UHFFFAOYSA-N 0 0 397.305 5.844 50 0 GKAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccccc1C(F)(F)F ZINC000027794659 570443066 /nfs/dbraw/zinc/44/30/66/570443066.db2.gz XFBOACWJBLHUTJ-UHFFFAOYSA-N 0 0 398.178 5.775 50 0 GKAARN Cc1ccc(OCC(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027795372 570443291 /nfs/dbraw/zinc/44/32/91/570443291.db2.gz HOSSZUFIIIJYKE-SANMLTNESA-N 0 0 398.506 5.412 50 0 GKAARN Cc1cc(OCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)ccc1Cl ZINC000027795293 570443421 /nfs/dbraw/zinc/44/34/21/570443421.db2.gz IGFBRMMCVIFYLX-UHFFFAOYSA-N 0 0 390.266 5.507 50 0 GKAARN CCCCCC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000005502445 570443546 /nfs/dbraw/zinc/44/35/46/570443546.db2.gz FZKULYFBGDSOKG-GMAHTHKFSA-N 0 0 382.935 6.570 50 0 GKAARN CCCCCOC(=O)c1ccc(Oc2ccc(C(=O)OCCCCC)cc2)cc1 ZINC000005502900 570443608 /nfs/dbraw/zinc/44/36/08/570443608.db2.gz VJJNHVSSVNIFPK-UHFFFAOYSA-N 0 0 398.499 6.173 50 0 GKAARN Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1Cl ZINC000005515078 570444002 /nfs/dbraw/zinc/44/40/02/570444002.db2.gz FBUKMCGTAINNAJ-OAQYLSRUSA-N 0 0 385.269 6.488 50 0 GKAARN CCc1cccc2c([C@H](CC(=O)NC3CCCCC3)c3ccc(F)cc3)c[nH]c21 ZINC000035768551 570444159 /nfs/dbraw/zinc/44/41/59/570444159.db2.gz WVZRUEMFTPZETO-JOCHJYFZSA-N 0 0 392.518 5.840 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000006472853 570444186 /nfs/dbraw/zinc/44/41/86/570444186.db2.gz SINMLWCQHFENJB-UHFFFAOYSA-N 0 0 391.210 5.450 50 0 GKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)Nc1ccccc1-2 ZINC000005525259 570444459 /nfs/dbraw/zinc/44/44/59/570444459.db2.gz IQBOQHYGDBBYGR-LJQANCHMSA-N 0 0 396.516 5.616 50 0 GKAARN O=c1cc(OCc2ccc(Cl)cc2)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000005528246 570444467 /nfs/dbraw/zinc/44/44/67/570444467.db2.gz GHWSFZWNRGXXRZ-UHFFFAOYSA-N 0 0 378.811 5.398 50 0 biogenic GKAARN CCc1ccc(N2C[C@@H](c3noc(-c4ccc(C(C)(C)C)cc4)n3)CC2=O)cc1 ZINC000044415817 570444711 /nfs/dbraw/zinc/44/47/11/570444711.db2.gz PUQNVOBOYBMSBJ-SFHVURJKSA-N 0 0 389.499 5.117 50 0 GKAARN COc1cccc2c(C)cc3nnc(SCCOc4ccccc4Cl)n3c12 ZINC000011903242 570445171 /nfs/dbraw/zinc/44/51/71/570445171.db2.gz BGPMEMHXMWLCGQ-UHFFFAOYSA-N 0 0 399.903 5.024 50 0 GKAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC(Cc2ccccc2)CC1 ZINC000011916100 570447279 /nfs/dbraw/zinc/44/72/79/570447279.db2.gz ZJXPGUFBJINXHB-UHFFFAOYSA-N 0 0 380.875 5.090 50 0 GKAARN CCCOc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(C)cc32)cc1 ZINC000001912076 570447512 /nfs/dbraw/zinc/44/75/12/570447512.db2.gz IITJMUMWTJVFCX-SOYKGTTHSA-N 0 0 399.490 6.438 50 0 GKAARN O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000011914739 570447732 /nfs/dbraw/zinc/44/77/32/570447732.db2.gz SLIMXSZHSUTAAD-UHFFFAOYSA-N 0 0 394.883 5.634 50 0 GKAARN O=c1nc(SCc2cccc3ccccc32)c2c(n1-c1ccccc1)CCC2 ZINC000027989112 570447783 /nfs/dbraw/zinc/44/77/83/570447783.db2.gz ARASVPXIQIJHHZ-UHFFFAOYSA-N 0 0 384.504 5.167 50 0 GKAARN CC(C)Oc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000011914542 570447815 /nfs/dbraw/zinc/44/78/15/570447815.db2.gz LWPODVCASKBHJJ-UHFFFAOYSA-N 0 0 380.875 5.369 50 0 GKAARN CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(C)cc4)ns3)c(C)c2c1 ZINC000011914383 570447834 /nfs/dbraw/zinc/44/78/34/570447834.db2.gz LADCMECYHMBRPW-UHFFFAOYSA-N 0 0 377.469 5.383 50 0 GKAARN C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000011917488 570448095 /nfs/dbraw/zinc/44/80/95/570448095.db2.gz BGXYYCICVFXBPL-AWEZNQCLSA-N 0 0 376.387 5.040 50 0 GKAARN C[C@@H](NC(=S)Nc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2)no1 ZINC000064378092 570448466 /nfs/dbraw/zinc/44/84/66/570448466.db2.gz WKRQKNDXMSMXDA-CYBMUJFWSA-N 0 0 392.459 5.077 50 0 GKAARN Cc1c2ccccc2oc1C(=O)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000027992104 570448648 /nfs/dbraw/zinc/44/86/48/570448648.db2.gz BBFHDVFJQIFSSX-UHFFFAOYSA-N 0 0 376.843 5.637 50 0 GKAARN Cc1c(C(=O)N(Cc2cccs2)c2ncccc2C)oc2cc(C)cc(C)c12 ZINC000027993425 570448704 /nfs/dbraw/zinc/44/87/04/570448704.db2.gz FYHAMFYRLMKSMB-UHFFFAOYSA-N 0 0 390.508 5.970 50 0 GKAARN CCCc1cc(Nc2ccc(NC(C)=O)cc2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002212463 570448715 /nfs/dbraw/zinc/44/87/15/570448715.db2.gz UBPSSQKSYYBZDU-UHFFFAOYSA-N 0 0 399.498 5.359 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccccc2)n1-c1cccc2ccccc21 ZINC000005603554 570448757 /nfs/dbraw/zinc/44/87/57/570448757.db2.gz XLPROQPGMJWBFE-UHFFFAOYSA-N 0 0 394.499 5.831 50 0 GKAARN Cc1c(C(=O)N(Cc2cccs2)c2ccc(F)cc2)oc2cc(C)cc(C)c12 ZINC000027993443 570448771 /nfs/dbraw/zinc/44/87/71/570448771.db2.gz XDGYBSLEIIHZSR-UHFFFAOYSA-N 0 0 393.483 6.406 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 ZINC000248187068 570449023 /nfs/dbraw/zinc/44/90/23/570449023.db2.gz ILAQOQSBPKBDQK-CTNGQTDRSA-N 0 0 396.899 5.652 50 0 GKAARN CC[C@@H]1CCc2sc(C(=O)NCc3csc(-c4ccccc4)n3)cc2C1 ZINC000006489362 570449459 /nfs/dbraw/zinc/44/94/59/570449459.db2.gz ZUIVSWFTHQFILE-CQSZACIVSA-N 0 0 382.554 5.317 50 0 GKAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000028018040 570449965 /nfs/dbraw/zinc/44/99/65/570449965.db2.gz FFHFTSOZEUQQBA-HNNXBMFYSA-N 0 0 390.439 5.108 50 0 GKAARN Cc1cc2nnc(SCCOc3ccc(C(C)(C)C)cc3)n2c2ccccc12 ZINC000001927127 570450136 /nfs/dbraw/zinc/45/01/36/570450136.db2.gz CXSUNKCKXSOBKJ-UHFFFAOYSA-N 0 0 391.540 5.660 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCCC2)cc1OC ZINC000005670889 570450567 /nfs/dbraw/zinc/45/05/67/570450567.db2.gz JQUKMDJZTONGFY-SFHVURJKSA-N 0 0 398.890 5.171 50 0 GKAARN COC(=O)c1ccccc1Sc1nc(-c2ccccc2)nc2ccsc21 ZINC000005675228 570450969 /nfs/dbraw/zinc/45/09/69/570450969.db2.gz PTIREDDVYFMLJC-UHFFFAOYSA-N 0 0 378.478 5.296 50 0 GKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000005683789 570451534 /nfs/dbraw/zinc/45/15/34/570451534.db2.gz RLWASFGQVCIKHC-GMAHTHKFSA-N 0 0 392.861 6.030 50 0 GKAARN Cc1cc2oc(=O)cc(Cn3c4ccccc4nc3C(F)(F)F)c2cc1Cl ZINC000028192504 570451905 /nfs/dbraw/zinc/45/19/05/570451905.db2.gz FFQIVPGQMWDYEA-UHFFFAOYSA-N 0 0 392.764 5.172 50 0 GKAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1OCC ZINC000001986268 570452013 /nfs/dbraw/zinc/45/20/13/570452013.db2.gz BJBTVWNLTSDDLR-UHFFFAOYSA-N 0 0 395.480 5.243 50 0 GKAARN CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccco1 ZINC000001321649 570452972 /nfs/dbraw/zinc/45/29/72/570452972.db2.gz QZAKTTPJCPDBEO-ZEQRLZLVSA-N 0 0 383.532 5.100 50 0 biogenic GKAARN Cc1c2ccccc2oc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028251635 570453178 /nfs/dbraw/zinc/45/31/78/570453178.db2.gz FLKQNZFMVJUFQO-UHFFFAOYSA-N 0 0 396.899 5.491 50 0 GKAARN C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1cccc2ncccc21 ZINC000028281897 570453730 /nfs/dbraw/zinc/45/37/30/570453730.db2.gz QEZBFPHALWUABM-LBPRGKRZSA-N 0 0 398.438 5.099 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC000028287043 570454113 /nfs/dbraw/zinc/45/41/13/570454113.db2.gz QWWADMZKYZXXCJ-UHFFFAOYSA-N 0 0 393.483 6.406 50 0 GKAARN Fc1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)cc1 ZINC000028287193 570454139 /nfs/dbraw/zinc/45/41/39/570454139.db2.gz YRWAAFYYDLDFMO-UHFFFAOYSA-N 0 0 396.425 5.703 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccccc1F)c1ccccn1 ZINC000028287302 570454229 /nfs/dbraw/zinc/45/42/29/570454229.db2.gz QKHMOQXPLODNJB-UHFFFAOYSA-N 0 0 388.442 5.739 50 0 GKAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1cccs1)c1ccc(Cl)cc1 ZINC000028287388 570454256 /nfs/dbraw/zinc/45/42/56/570454256.db2.gz ZQIKGHLCLCNYAX-UHFFFAOYSA-N 0 0 395.911 6.612 50 0 GKAARN N#CC(=NNc1cccc2ccccc21)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000252617296 570454421 /nfs/dbraw/zinc/45/44/21/570454421.db2.gz KPWPGAQIVZWFNA-UHFFFAOYSA-N 0 0 388.883 5.956 50 0 GKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000005739418 570454661 /nfs/dbraw/zinc/45/46/61/570454661.db2.gz POSXOANVMSYICF-UNMCSNQZSA-N 0 0 395.289 6.236 50 0 GKAARN COc1cccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 ZINC000005746013 570455119 /nfs/dbraw/zinc/45/51/19/570455119.db2.gz PUJHNCPSFPVMJH-UHFFFAOYSA-N 0 0 397.858 5.189 50 0 GKAARN COc1ccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000028289241 570455190 /nfs/dbraw/zinc/45/51/90/570455190.db2.gz WISHBFHMDCKWTP-OAQYLSRUSA-N 0 0 376.481 5.100 50 0 GKAARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)oc2c(C)c1 ZINC000005749746 570455300 /nfs/dbraw/zinc/45/53/00/570455300.db2.gz VEUARLRDOYLPDS-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN O=C(N(Cc1c(F)cccc1Cl)c1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000028289630 570455468 /nfs/dbraw/zinc/45/54/68/570455468.db2.gz ZRJIQGIWLFAPEM-UHFFFAOYSA-N 0 0 398.909 5.624 50 0 GKAARN Cc1ccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1C ZINC000028289637 570455656 /nfs/dbraw/zinc/45/56/56/570455656.db2.gz YDOUDVSMUPHGPM-UHFFFAOYSA-N 0 0 398.865 5.103 50 0 GKAARN CCOc1cccc(C(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)c1 ZINC000028292558 570456421 /nfs/dbraw/zinc/45/64/21/570456421.db2.gz RBAGCAOOFZYPBP-UHFFFAOYSA-N 0 0 384.838 5.120 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1cccs1 ZINC000005775658 570456556 /nfs/dbraw/zinc/45/65/56/570456556.db2.gz CZQVLGIEMCIDQY-UHFFFAOYSA-N 0 0 398.487 5.920 50 0 GKAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)c2ccccn2)ccc1Cl ZINC000028292132 570456697 /nfs/dbraw/zinc/45/66/97/570456697.db2.gz LMEYUKMLTFOXGG-INIZCTEOSA-N 0 0 398.865 5.183 50 0 GKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2c1S[C@@H](C)C2=O ZINC000006497649 570457049 /nfs/dbraw/zinc/45/70/49/570457049.db2.gz RBTSECSAXHUXSW-AWEZNQCLSA-N 0 0 377.465 5.133 50 0 GKAARN Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)c1 ZINC000028292946 570457070 /nfs/dbraw/zinc/45/70/70/570457070.db2.gz IFPKPZHBXHTKKX-GOSISDBHSA-N 0 0 394.902 5.353 50 0 GKAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2cccnc12 ZINC000028293033 570457203 /nfs/dbraw/zinc/45/72/03/570457203.db2.gz WYIDSRNCIKBROT-QGZVFWFLSA-N 0 0 392.499 5.471 50 0 GKAARN Cc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2c1 ZINC000005795777 570457508 /nfs/dbraw/zinc/45/75/08/570457508.db2.gz UDPWQHQPNMUCBP-UHFFFAOYSA-N 0 0 396.324 5.038 50 0 GKAARN CC(C)c1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000035818842 570457725 /nfs/dbraw/zinc/45/77/25/570457725.db2.gz NJGKBRUCGCIBLS-QFIPXVFZSA-N 0 0 377.463 5.388 50 0 GKAARN O=C(Cc1cccs1)N1CCS[C@H]1c1ccccc1OCc1ccccc1 ZINC000035816695 570458151 /nfs/dbraw/zinc/45/81/51/570458151.db2.gz VZRPZNRBACAFOH-QFIPXVFZSA-N 0 0 395.549 5.144 50 0 GKAARN CCCC[C@@H](CC)C(=O)OCC1CCC(COC(=O)[C@@H](CC)CCCC)CC1 ZINC000005821724 570458306 /nfs/dbraw/zinc/45/83/06/570458306.db2.gz WZCWEBVKSPNNNN-JQBYJRRVSA-N 0 0 396.612 6.312 50 0 GKAARN C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1nnc(-c2ccccc2)o1 ZINC000028367665 570458608 /nfs/dbraw/zinc/45/86/08/570458608.db2.gz ATNIFGUUSCINEG-OAHLLOKOSA-N 0 0 377.444 5.341 50 0 GKAARN Cc1ccc(-c2nnnn2-c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000028405790 570459518 /nfs/dbraw/zinc/45/95/18/570459518.db2.gz YDURZSAYEGNYKY-UHFFFAOYSA-N 0 0 395.491 5.428 50 0 GKAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(-c3ccccc3)c(O)cc21 ZINC000006509224 570460993 /nfs/dbraw/zinc/46/09/93/570460993.db2.gz WKBMIWNVQMGQOY-UHFFFAOYSA-N 0 0 385.463 5.547 50 0 GKAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1OC ZINC000005918272 570461573 /nfs/dbraw/zinc/46/15/73/570461573.db2.gz HSSWVMXIGFZDAO-VGOFRKELSA-N 0 0 392.480 5.008 50 0 GKAARN CCOc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000005905868 570461646 /nfs/dbraw/zinc/46/16/46/570461646.db2.gz IMQPZHSNZZPVTI-UHFFFAOYSA-N 0 0 397.522 6.008 50 0 GKAARN Cc1cc2nc(OC(C)C)c(C(=O)Nc3ccc(C)c(Cl)c3)nc2cc1C ZINC000064439016 570462694 /nfs/dbraw/zinc/46/26/94/570462694.db2.gz ZVOWGBZHNXLZNA-UHFFFAOYSA-N 0 0 383.879 5.248 50 0 GKAARN O=C1c2ccc(Cl)cc2Oc2nc3ccccc3nc2N1c1ccc(F)cc1 ZINC000005949225 570462912 /nfs/dbraw/zinc/46/29/12/570462912.db2.gz HFXWYTCPFGGABE-UHFFFAOYSA-N 0 0 391.789 5.507 50 0 GKAARN Cc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)c(Cl)c1 ZINC000064439011 570462916 /nfs/dbraw/zinc/46/29/16/570462916.db2.gz IHONBIBGZFMSBE-UHFFFAOYSA-N 0 0 383.879 5.248 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000005976652 570463389 /nfs/dbraw/zinc/46/33/89/570463389.db2.gz QDVVAQXXBAOJQL-SNVBAGLBSA-N 0 0 397.371 6.040 50 0 GKAARN Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960462 570463418 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/nfs/dbraw/zinc/56/64/80/570566480.db2.gz XZAOLVZLEPIALJ-UHFFFAOYSA-N 0 0 397.931 5.600 50 0 GKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000006748003 570566920 /nfs/dbraw/zinc/56/69/20/570566920.db2.gz OILDEYOPZFTSMK-UHFFFAOYSA-N 0 0 383.904 5.291 50 0 GKAARN O=C(NC1CCCC1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000006748804 570566999 /nfs/dbraw/zinc/56/69/99/570566999.db2.gz SGSIDGHYHSNKOW-UHFFFAOYSA-N 0 0 379.460 5.028 50 0 GKAARN CC1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(F)cc4)cn32)CC1 ZINC000006748788 570567004 /nfs/dbraw/zinc/56/70/04/570567004.db2.gz OPSJKEJVDZAEDP-UHFFFAOYSA-N 0 0 393.487 5.227 50 0 GKAARN Cc1ccc(CSc2ncc(Cl)c(C(=O)Oc3ccc(F)cc3)n2)cc1 ZINC000006748021 570567016 /nfs/dbraw/zinc/56/70/16/570567016.db2.gz SGMXGWPQSXSLGU-UHFFFAOYSA-N 0 0 388.851 5.089 50 0 GKAARN Cc1ccc(-c2cn3c4ccc(C(=O)NC5CCCCC5)cc4sc3n2)cc1 ZINC000006748673 570567082 /nfs/dbraw/zinc/56/70/82/570567082.db2.gz OFVYOPIPMDZWSX-UHFFFAOYSA-N 0 0 389.524 5.587 50 0 GKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000006748766 570567140 /nfs/dbraw/zinc/56/71/40/570567140.db2.gz DYLXBTIUMTXSOS-YJBOKZPZSA-N 0 0 389.524 5.525 50 0 GKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000006748768 570567157 /nfs/dbraw/zinc/56/71/57/570567157.db2.gz DYLXBTIUMTXSOS-MAUKXSAKSA-N 0 0 389.524 5.525 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)c1 ZINC000006749303 570567529 /nfs/dbraw/zinc/56/75/29/570567529.db2.gz YIQMOZFDORNFFX-UHFFFAOYSA-N 0 0 387.483 5.040 50 0 GKAARN Cc1cc(C)c(Cn2c3cnccc3nc2SCc2ccccc2C)c(C)c1 ZINC000006752333 570569752 /nfs/dbraw/zinc/56/97/52/570569752.db2.gz UCQMSTCUJWMAGC-UHFFFAOYSA-N 0 0 387.552 6.006 50 0 GKAARN Cc1ccccc1CSc1nc2ccncc2n1Cc1c(F)cccc1Cl ZINC000006752332 570569779 /nfs/dbraw/zinc/56/97/79/570569779.db2.gz FGQISWNMOVIVKM-UHFFFAOYSA-N 0 0 397.906 5.873 50 0 GKAARN Cc1c(C(=O)N2CCC(C)CC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006751365 570569787 /nfs/dbraw/zinc/56/97/87/570569787.db2.gz BLHJLCFARBOWJP-QGZVFWFLSA-N 0 0 397.515 5.132 50 0 biogenic GKAARN Cc1ccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000006751672 570569845 /nfs/dbraw/zinc/56/98/45/570569845.db2.gz DOZLCTOIQZRHKB-RUZDIDTESA-N 0 0 395.506 5.964 50 0 GKAARN Cc1ccccc1CSc1nc2ccncc2n1Cc1cccc(Cl)c1 ZINC000006752330 570569940 /nfs/dbraw/zinc/56/99/40/570569940.db2.gz WTZNIGUIASAZGM-UHFFFAOYSA-N 0 0 379.916 5.734 50 0 GKAARN COc1ccc(OCc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 ZINC000006752660 570570223 /nfs/dbraw/zinc/57/02/23/570570223.db2.gz CRXJPULYKPTKGI-UHFFFAOYSA-N 0 0 378.859 5.326 50 0 GKAARN CCCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1cccc(Cl)c1 ZINC000006751989 570570625 /nfs/dbraw/zinc/57/06/25/570570625.db2.gz USQGUHCIVHVBRB-UHFFFAOYSA-N 0 0 399.968 6.731 50 0 GKAARN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000060265546 570571246 /nfs/dbraw/zinc/57/12/46/570571246.db2.gz DEIIMCPCBVQBTB-UHFFFAOYSA-N 0 0 376.309 5.284 50 0 GKAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc2cccnc21 ZINC000032983124 570571675 /nfs/dbraw/zinc/57/16/75/570571675.db2.gz ICGBKZFHRFBRMC-UHFFFAOYSA-N 0 0 389.480 5.384 50 0 GKAARN O=C(CSCc1ccc(Cl)cc1)Nc1oncc1-c1ccc(Cl)cc1 ZINC000032984878 570573106 /nfs/dbraw/zinc/57/31/06/570573106.db2.gz RMFFMUZNHAHNFH-UHFFFAOYSA-N 0 0 393.295 5.520 50 0 GKAARN CC(=O)c1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000032985695 570573471 /nfs/dbraw/zinc/57/34/71/570573471.db2.gz AIMCGTXTGIZEBU-UHFFFAOYSA-N 0 0 396.446 5.122 50 0 GKAARN Cc1cc(C)cc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000032985696 570573519 /nfs/dbraw/zinc/57/35/19/570573519.db2.gz OZZXTCMPKDBVAJ-UHFFFAOYSA-N 0 0 382.463 5.536 50 0 GKAARN Cc1cccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)c1 ZINC000032985817 570573539 /nfs/dbraw/zinc/57/35/39/570573539.db2.gz SBGQIUKWLYZYAN-UHFFFAOYSA-N 0 0 386.426 5.367 50 0 GKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3cc(C)ccc3C)cc21 ZINC000032986375 570573845 /nfs/dbraw/zinc/57/38/45/570573845.db2.gz AAFDEBMOWXBVRP-UHFFFAOYSA-N 0 0 396.490 6.170 50 0 GKAARN COc1ccccc1NC(=O)COc1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000032985928 570573890 /nfs/dbraw/zinc/57/38/90/570573890.db2.gz BZKGIHMISUFVAG-UHFFFAOYSA-N 0 0 398.462 5.236 50 0 GKAARN Cc1cccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(C)cc32)c1 ZINC000032985833 570573904 /nfs/dbraw/zinc/57/39/04/570573904.db2.gz GXIFGAXPTRMMQI-UHFFFAOYSA-N 0 0 382.463 5.536 50 0 GKAARN COc1cccc(NC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000032985932 570573917 /nfs/dbraw/zinc/57/39/17/570573917.db2.gz WCILCKIHDNQSMK-UHFFFAOYSA-N 0 0 398.462 5.236 50 0 GKAARN Cc1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccccc3C)c2c1 ZINC000032985825 570573935 /nfs/dbraw/zinc/57/39/35/570573935.db2.gz VWHMVCBWIIAGJC-UHFFFAOYSA-N 0 0 382.463 5.536 50 0 GKAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)Nc3ccccc3CC)cc21 ZINC000032986411 570574128 /nfs/dbraw/zinc/57/41/28/570574128.db2.gz GLWOBYWQWYCUHZ-UHFFFAOYSA-N 0 0 396.490 6.115 50 0 GKAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCCCC3)cc21 ZINC000032986738 570574283 /nfs/dbraw/zinc/57/42/83/570574283.db2.gz UGUCQDPSGLACOE-UHFFFAOYSA-N 0 0 378.447 5.066 50 0 GKAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccccc3O)cc21 ZINC000032986730 570574300 /nfs/dbraw/zinc/57/43/00/570574300.db2.gz UGCWKPONOOLOEJ-UHFFFAOYSA-N 0 0 398.462 5.567 50 0 GKAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N[C@@H](C)CC)cc21 ZINC000032986679 570574327 /nfs/dbraw/zinc/57/43/27/570574327.db2.gz KCEMTFCPGSUDFJ-AWEZNQCLSA-N 0 0 382.891 5.482 50 0 GKAARN CC1(C)C[C@@H]([C@H](CCNc2nccs2)Cc2ccccc2Cl)CCO1 ZINC000006760614 570575126 /nfs/dbraw/zinc/57/51/26/570575126.db2.gz XXAWYLPJYVMNPG-WBVHZDCISA-N 0 0 378.969 5.663 50 0 GKAARN Cc1ccccc1-c1cnc(NC(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000225450143 570575365 /nfs/dbraw/zinc/57/53/65/570575365.db2.gz MZIALRBZYAXYIO-UHFFFAOYSA-N 0 0 382.247 5.212 50 0 GKAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)Cc3ccccc3OC)n2)cc1 ZINC000032988027 570575626 /nfs/dbraw/zinc/57/56/26/570575626.db2.gz KUCPCUJBQITWBZ-HNNXBMFYSA-N 0 0 380.513 5.513 50 0 GKAARN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000013494939 570576117 /nfs/dbraw/zinc/57/61/17/570576117.db2.gz JISIMPBCKRHVDB-CYBMUJFWSA-N 0 0 383.879 5.179 50 0 GKAARN CCCCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc(C)cc3)nn2)cc1 ZINC000032995662 570577825 /nfs/dbraw/zinc/57/78/25/570577825.db2.gz TXAKSDOHYMSRKX-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN COc1ccc2cc(-c3n[nH]cc3CN3CCC[C@@H]3c3nccs3)ccc2c1 ZINC000011664337 570578358 /nfs/dbraw/zinc/57/83/58/570578358.db2.gz GXNIMKSAARPCCT-HXUWFJFHSA-N 0 0 390.512 5.032 50 0 GKAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000006768665 570578780 /nfs/dbraw/zinc/57/87/80/570578780.db2.gz AIHCTQMLTCNPBH-AWEZNQCLSA-N 0 0 399.947 5.954 50 0 GKAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1c2c(sc1-n1cccc1)CCCC2 ZINC000006768664 570578807 /nfs/dbraw/zinc/57/88/07/570578807.db2.gz UJEGHNBWHOZZLP-CQSZACIVSA-N 0 0 399.947 5.954 50 0 GKAARN Cc1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000006768696 570579191 /nfs/dbraw/zinc/57/91/91/570579191.db2.gz UDRRZGUEVOKAIN-MRXNPFEDSA-N 0 0 379.529 5.609 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@H](/C=C\c1ccccc1)Nc1ccccc1-2 ZINC000034138177 570579349 /nfs/dbraw/zinc/57/93/49/570579349.db2.gz ZPEFZVFYDZZLQQ-FNDLEWIFSA-N 0 0 390.512 5.275 50 0 GKAARN Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(Cl)c2)cc1 ZINC000036246289 570580757 /nfs/dbraw/zinc/58/07/57/570580757.db2.gz DLYQZPLCNJDZIY-UHFFFAOYSA-N 0 0 389.879 5.183 50 0 GKAARN Cc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246366 570580818 /nfs/dbraw/zinc/58/08/18/570580818.db2.gz DVMNQJMXPRSDII-UHFFFAOYSA-N 0 0 389.879 5.183 50 0 GKAARN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000036246369 570580858 /nfs/dbraw/zinc/58/08/58/570580858.db2.gz VPRJNHPXMCOXJE-UHFFFAOYSA-N 0 0 392.307 5.389 50 0 GKAARN Cc1cc([C@H](Nc2ccccn2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546890 570580851 /nfs/dbraw/zinc/58/08/51/570580851.db2.gz LAXYYMWPMRXRIQ-HXUWFJFHSA-N 0 0 389.480 5.498 50 0 GKAARN Cc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246992 570581210 /nfs/dbraw/zinc/58/12/10/570581210.db2.gz NBRKDHABMIWYLV-UHFFFAOYSA-N 0 0 389.879 5.183 50 0 GKAARN COc1ccc(S(=O)(=O)N(c2cccc(F)c2)[C@@H](C)c2ccccc2C)cc1 ZINC000036247691 570581564 /nfs/dbraw/zinc/58/15/64/570581564.db2.gz PWIKZJDJRGYMQT-KRWDZBQOSA-N 0 0 399.487 5.099 50 0 GKAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)cc2-c2cccnc2)cc1 ZINC000064896685 570583893 /nfs/dbraw/zinc/58/38/93/570583893.db2.gz FWHCXXNCEPVIRU-UHFFFAOYSA-N 0 0 382.467 5.112 50 0 GKAARN CCC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000005399260 570584936 /nfs/dbraw/zinc/58/49/36/570584936.db2.gz FBOFGBZVVPVETP-IRLDBZIGSA-N 0 0 389.580 5.301 50 0 GKAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCCC[C@H]1c1nccn1C ZINC000011819100 570585575 /nfs/dbraw/zinc/58/55/75/570585575.db2.gz ORAIISYBKYHHSH-QFIPXVFZSA-N 0 0 386.499 5.264 50 0 GKAARN CC1(C)C[C@@H](O)c2c(OCc3coc(-c4cccc(Cl)c4)n3)cccc2O1 ZINC000225545124 570586445 /nfs/dbraw/zinc/58/64/45/570586445.db2.gz IRKKVBDJIBDEFC-MRXNPFEDSA-N 0 0 385.847 5.169 50 0 GKAARN COCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2cccc(F)c21 ZINC000005403907 570586810 /nfs/dbraw/zinc/58/68/10/570586810.db2.gz LHARKEYXTWATFN-UHFFFAOYSA-N 0 0 383.366 5.458 50 0 GKAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C)cc1)CC(c1ccccc1)=N2 ZINC000005416796 570588761 /nfs/dbraw/zinc/58/87/61/570588761.db2.gz IMIMRNGCYXZMDT-HSZRJFAPSA-N 0 0 377.491 6.146 50 0 GKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000002424054 570589251 /nfs/dbraw/zinc/58/92/51/570589251.db2.gz QFIPASPXSUSXFY-STQMWFEESA-N 0 0 387.936 5.167 50 0 GKAARN Cc1ccc(Cn2cc(CCCC(=O)NCc3ccco3)c3ccccc32)cc1 ZINC000006782822 570590095 /nfs/dbraw/zinc/59/00/95/570590095.db2.gz ZRJIHUNKRYDLTO-UHFFFAOYSA-N 0 0 386.495 5.230 50 0 GKAARN Cc1ccccc1Cn1cc(CCCC(=O)NCc2ccco2)c2ccccc21 ZINC000006782865 570590134 /nfs/dbraw/zinc/59/01/34/570590134.db2.gz OLONVLCLLPIKDF-UHFFFAOYSA-N 0 0 386.495 5.230 50 0 GKAARN 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ZINC000033025818 570660612 /nfs/dbraw/zinc/66/06/12/570660612.db2.gz FYQUYSBMERSAKW-UHFFFAOYSA-N 0 0 380.444 5.083 50 0 GKAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033025749 570660713 /nfs/dbraw/zinc/66/07/13/570660713.db2.gz ABLIBFAJBIPREQ-UHFFFAOYSA-N 0 0 392.480 5.034 50 0 GKAARN CCCn1c(-c2ccc(C)cc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000005579912 570660865 /nfs/dbraw/zinc/66/08/65/570660865.db2.gz PEVHUSJGSQWENU-UHFFFAOYSA-N 0 0 391.518 6.855 50 0 GKAARN O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1)c1ccco1 ZINC000005581124 570661145 /nfs/dbraw/zinc/66/11/45/570661145.db2.gz DKZVMJWNSYKRPR-UHFFFAOYSA-N 0 0 375.211 5.091 50 0 GKAARN CCCNC(=O)c1cccc(CSc2ccc(-c3ccc(Cl)cc3)nn2)c1 ZINC000004607101 570661405 /nfs/dbraw/zinc/66/14/05/570661405.db2.gz RDHUDYFSVKKPSP-UHFFFAOYSA-N 0 0 397.931 5.229 50 0 GKAARN S=C1N=C2CCC(Cc3ccc(Cl)cc3)=C2[C@@H](c2ccc(Cl)cc2)N1 ZINC000005428921 570662274 /nfs/dbraw/zinc/66/22/74/570662274.db2.gz USQIODOIPOLTQK-FIIODCPWSA-N 0 0 387.335 5.644 50 0 GKAARN Clc1ccc(Cn2c3ccccc3nc2NCc2ccccc2Cl)cc1 ZINC000004608421 570662388 /nfs/dbraw/zinc/66/23/88/570662388.db2.gz RKKIUBORBLLWRM-UHFFFAOYSA-N 0 0 382.294 6.004 50 0 GKAARN CSc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000024993121 570662663 /nfs/dbraw/zinc/66/26/63/570662663.db2.gz HRSMNOROXOUDJV-UHFFFAOYSA-N 0 0 392.528 5.036 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(F)cc1Br ZINC000005509773 570663604 /nfs/dbraw/zinc/66/36/04/570663604.db2.gz ZBVUWEDEPFOBAX-GFCCVEGCSA-N 0 0 380.257 5.119 50 0 GKAARN CC[C@@H]1CCCCN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000005523551 570663663 /nfs/dbraw/zinc/66/36/63/570663663.db2.gz OULNZRPIGGNYSG-LJQANCHMSA-N 0 0 393.918 5.597 50 0 GKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nc3ccccc3s2)s1 ZINC000005506067 570663813 /nfs/dbraw/zinc/66/38/13/570663813.db2.gz QQZAARZNYBVPFW-UHFFFAOYSA-N 0 0 394.565 5.723 50 0 GKAARN Fc1ccccc1-c1nnc(SCc2ccccc2)n1CCc1ccccc1 ZINC000005559662 570665095 /nfs/dbraw/zinc/66/50/95/570665095.db2.gz TXHIJTAMIUGBEC-UHFFFAOYSA-N 0 0 389.499 5.619 50 0 GKAARN C[C@@H](c1ccc(Cl)cc1)N(C(=O)/C=C/c1cnc2ccccc2n1)C1CC1 ZINC000097166820 570665119 /nfs/dbraw/zinc/66/51/19/570665119.db2.gz IQANMAHZDWVTHH-VOMSXAGXSA-N 0 0 377.875 5.049 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)CCc1ccc(-c2ccc(C)c(C)c2)o1 ZINC000033027718 570665224 /nfs/dbraw/zinc/66/52/24/570665224.db2.gz VEAXALLNWQSITF-UHFFFAOYSA-N 0 0 383.875 5.797 50 0 GKAARN Clc1ccc([C@@H](Cn2cncn2)OCc2ccccc2Cl)c(Cl)c1 ZINC000005583960 570665604 /nfs/dbraw/zinc/66/56/04/570665604.db2.gz ASERYULEDMCDLQ-QGZVFWFLSA-N 0 0 382.678 5.196 50 0 GKAARN CC(C)Oc1ccc([C@@H](CC(=O)N(C)[C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000013656260 570665785 /nfs/dbraw/zinc/66/57/85/570665785.db2.gz ZTVFIDQCBDXENJ-FPOVZHCZSA-N 0 0 375.553 5.020 50 0 GKAARN Cc1ccccc1NC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058072 570666502 /nfs/dbraw/zinc/66/65/02/570666502.db2.gz ORXANPYIAHMANO-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN O=C(NC1CCCCCC1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058066 570666511 /nfs/dbraw/zinc/66/65/11/570666511.db2.gz POXAEDDNYOFJRW-UHFFFAOYSA-N 0 0 387.483 5.389 50 0 GKAARN Cc1ccccc1CNC(=O)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058115 570666557 /nfs/dbraw/zinc/66/65/57/570666557.db2.gz AJUFONLSPVALSA-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN O=C(NC1CCCCCC1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057865 570666594 /nfs/dbraw/zinc/66/65/94/570666594.db2.gz JZHJWHJAACUJDD-UHFFFAOYSA-N 0 0 387.483 5.389 50 0 GKAARN CCc1ccc(NC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc1 ZINC000065057871 570666662 /nfs/dbraw/zinc/66/66/62/570666662.db2.gz LRKQQNCCABCAJF-UHFFFAOYSA-N 0 0 395.462 5.751 50 0 GKAARN O=C(Nc1cccc(F)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058079 570666667 /nfs/dbraw/zinc/66/66/67/570666667.db2.gz VADFODVQKSRLSL-UHFFFAOYSA-N 0 0 385.398 5.327 50 0 GKAARN Fc1ccc(CSc2nc3cccnc3n2Cc2ccc(Cl)cc2)cc1 ZINC000006877799 570668802 /nfs/dbraw/zinc/66/88/02/570668802.db2.gz FNHZZSKTVWAXKK-UHFFFAOYSA-N 0 0 383.879 5.564 50 0 GKAARN Cc1cc(C)c(Cn2c(SCc3cccc(F)c3)nc3cccnc32)c(C)c1 ZINC000006877831 570669222 /nfs/dbraw/zinc/66/92/22/570669222.db2.gz FEMGJTNAOJSOEH-UHFFFAOYSA-N 0 0 391.515 5.836 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c(C)c1 ZINC000005780588 570669920 /nfs/dbraw/zinc/66/99/20/570669920.db2.gz KVUYMWUQYFUIED-UHFFFAOYSA-N 0 0 376.934 5.606 50 0 GKAARN CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000004614031 570670069 /nfs/dbraw/zinc/67/00/69/570670069.db2.gz IVPXSZLUICHERE-YADARESESA-N 0 0 398.506 5.610 50 0 GKAARN CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000004614036 570670160 /nfs/dbraw/zinc/67/01/60/570670160.db2.gz IVPXSZLUICHERE-DVECYGJZSA-N 0 0 398.506 5.610 50 0 GKAARN Cc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CC(C)C)cc1 ZINC000012462002 570670782 /nfs/dbraw/zinc/67/07/82/570670782.db2.gz RISVBHHHXCMCSE-QQTULTPQSA-N 0 0 390.474 6.432 50 0 GKAARN CCCCN(CC)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000005783117 570672207 /nfs/dbraw/zinc/67/22/07/570672207.db2.gz OZNUIVPBABVCRV-UHFFFAOYSA-N 0 0 375.925 5.311 50 0 GKAARN COc1ccc(CC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033036585 570672526 /nfs/dbraw/zinc/67/25/26/570672526.db2.gz RTZGIGDKVYFNST-UHFFFAOYSA-N 0 0 390.870 5.678 50 0 GKAARN CN(Cc1ccccc1)c1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc21 ZINC000072328383 570674547 /nfs/dbraw/zinc/67/45/47/570674547.db2.gz OKMRRMYVAPNQLF-UHFFFAOYSA-N 0 0 393.918 5.151 50 0 GKAARN c1cn(Cc2ccc(CNc3ncnc4scc(-c5ccccc5)c43)cc2)cn1 ZINC000036391678 570674693 /nfs/dbraw/zinc/67/46/93/570674693.db2.gz JPTMWJMGYMNXCO-UHFFFAOYSA-N 0 0 397.507 5.215 50 0 GKAARN CCOc1ccccc1-c1nc(CN2CCCC[C@H]2c2ccccn2)c(C)o1 ZINC000012430966 570675039 /nfs/dbraw/zinc/67/50/39/570675039.db2.gz JLNQOZDZLRRUAV-NRFANRHFSA-N 0 0 377.488 5.171 50 0 GKAARN CSc1nc(Sc2cccc(F)c2)cc(Sc2cccc(F)c2)n1 ZINC000071289269 570675274 /nfs/dbraw/zinc/67/52/74/570675274.db2.gz QDPDHPVLDOSUAF-UHFFFAOYSA-N 0 0 378.494 5.779 50 0 GKAARN CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000004619095 570675452 /nfs/dbraw/zinc/67/54/52/570675452.db2.gz XTTXIDGKWWAJTI-UHFFFAOYSA-N 0 0 396.508 5.331 50 0 GKAARN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005627070 570675558 /nfs/dbraw/zinc/67/55/58/570675558.db2.gz RZLRKLYRWYHPJZ-KRWDZBQOSA-N 0 0 384.504 6.021 50 0 GKAARN Clc1ccc2nc(CSc3ncnc4sc5c(c43)CCCC5)cn2c1 ZINC000012523879 570675637 /nfs/dbraw/zinc/67/56/37/570675637.db2.gz HNGYHTKIKIWYGP-UHFFFAOYSA-N 0 0 386.933 5.164 50 0 GKAARN Fc1ccccc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000005627208 570675669 /nfs/dbraw/zinc/67/56/69/570675669.db2.gz YVIRRGBPEHYICW-UHFFFAOYSA-N 0 0 389.883 5.277 50 0 GKAARN CCOc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2N2CCCC2)cc1 ZINC000012437922 570676312 /nfs/dbraw/zinc/67/63/12/570676312.db2.gz BGYUIUMUFOGUIJ-UHFFFAOYSA-N 0 0 380.875 5.118 50 0 GKAARN CCCC1CCC(OC(=O)c2ccc([C@@H]3CC[C@H](CCC)[C@@H](C)C3)cc2)CC1 ZINC000013763580 570676372 /nfs/dbraw/zinc/67/63/72/570676372.db2.gz MSVALESXTAJUPW-ADZGKIQTSA-N 0 0 384.604 7.522 50 0 GKAARN CC(C)c1ccc(NC(=O)CN[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000006881370 570676509 /nfs/dbraw/zinc/67/65/09/570676509.db2.gz CDPFYOXOHNJRHE-GFCCVEGCSA-N 0 0 383.294 5.545 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000006881489 570676655 /nfs/dbraw/zinc/67/66/55/570676655.db2.gz URZRKZUVFBCGTA-KRWDZBQOSA-N 0 0 385.920 5.034 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006881488 570676689 /nfs/dbraw/zinc/67/66/89/570676689.db2.gz URZRKZUVFBCGTA-QGZVFWFLSA-N 0 0 385.920 5.034 50 0 GKAARN CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)cc1 ZINC000004341961 570676955 /nfs/dbraw/zinc/67/69/55/570676955.db2.gz ZHSOQQYZLSVCEZ-UHFFFAOYSA-N 0 0 390.483 5.766 50 0 GKAARN C[C@@H](SCc1csc(-c2ccccc2)n1)C(=O)Nc1ccc(F)cc1F ZINC000036392616 570676890 /nfs/dbraw/zinc/67/68/90/570676890.db2.gz KZAMYLGAVNWOMQ-GFCCVEGCSA-N 0 0 390.480 5.349 50 0 GKAARN Cc1cc(NC(=O)CC2CCCC2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441869 570677158 /nfs/dbraw/zinc/67/71/58/570677158.db2.gz HILGUUDKBMXOCT-UHFFFAOYSA-N 0 0 380.517 5.131 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000003130075 570677347 /nfs/dbraw/zinc/67/73/47/570677347.db2.gz LVDRWRISNZHJCB-UHFFFAOYSA-N 0 0 375.468 6.219 50 0 GKAARN FC(F)(Cl)c1cc(-c2cccs2)nc2nc(NC3CCCCC3)sc21 ZINC000005637984 570678162 /nfs/dbraw/zinc/67/81/62/570678162.db2.gz OEMDQDBBLIXHJV-UHFFFAOYSA-N 0 0 399.919 6.453 50 0 GKAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000005657262 570680013 /nfs/dbraw/zinc/68/00/13/570680013.db2.gz NILATDIMBOWTCA-UHFFFAOYSA-N 0 0 395.509 5.258 50 0 GKAARN CCCN(C(=O)NCc1ccc(F)cc1)[C@H](C)c1ccccc1Br ZINC000036395601 570680159 /nfs/dbraw/zinc/68/01/59/570680159.db2.gz ZYFUYJWTPRVMOU-CQSZACIVSA-N 0 0 393.300 5.271 50 0 GKAARN Brc1c(Br)c(-c2ccccc2)sc1-c1ccccc1 ZINC000003107470 570680303 /nfs/dbraw/zinc/68/03/03/570680303.db2.gz YKJNGPDROKBLFB-UHFFFAOYSA-N 0 0 394.131 6.607 50 0 GKAARN COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2O)cc1 ZINC000003107096 570680532 /nfs/dbraw/zinc/68/05/32/570680532.db2.gz SJUMCYUQRULPRQ-UHFFFAOYSA-N 0 0 382.459 6.410 50 0 GKAARN CC[C@@](C)(OC(=O)c1ccc(Br)cc1)C(C)(C)c1ccccc1 ZINC000003132603 570680757 /nfs/dbraw/zinc/68/07/57/570680757.db2.gz DXAGXSFEDDTBTC-HXUWFJFHSA-N 0 0 375.306 5.752 50 0 GKAARN Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1Cl ZINC000012564832 570680927 /nfs/dbraw/zinc/68/09/27/570680927.db2.gz QEESKKDPGCIKNC-UNMCSNQZSA-N 0 0 395.289 6.236 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc3c(C)cccc3cc2c1N ZINC000000872643 570681245 /nfs/dbraw/zinc/68/12/45/570681245.db2.gz YPKAAEYVNQDKPU-UHFFFAOYSA-N 0 0 397.887 5.254 50 0 GKAARN Cc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000036398704 570683379 /nfs/dbraw/zinc/68/33/79/570683379.db2.gz ZRCHUAWEBTUKJP-NRFANRHFSA-N 0 0 382.554 5.013 50 0 GKAARN O=C(OCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1F ZINC000006890408 570683896 /nfs/dbraw/zinc/68/38/96/570683896.db2.gz SLMFCDYCBILWNT-UHFFFAOYSA-N 0 0 390.389 5.175 50 0 GKAARN COc1cccc2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)oc21 ZINC000008960481 570684212 /nfs/dbraw/zinc/68/42/12/570684212.db2.gz YOCCHCOVCODENM-UHFFFAOYSA-N 0 0 383.407 5.237 50 0 GKAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1cccc(Cl)c1 ZINC000005660021 570684882 /nfs/dbraw/zinc/68/48/82/570684882.db2.gz DRSGJFPXFWVRRS-UHFFFAOYSA-N 0 0 397.862 5.590 50 0 GKAARN C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1F)CCCC3 ZINC000033043029 570688779 /nfs/dbraw/zinc/68/87/79/570688779.db2.gz BLKNPTOTGRUAGV-AWEZNQCLSA-N 0 0 395.503 5.665 50 0 GKAARN c1ccc(-c2[nH]c(-c3ccc4ncccc4c3)nc2-c2ccc3ccccc3c2)cc1 ZINC000005785719 570690380 /nfs/dbraw/zinc/69/03/80/570690380.db2.gz CCFWVWBQNIHDCC-UHFFFAOYSA-N 0 0 397.481 7.112 50 0 GKAARN CC(=O)Oc1cc(/C=C\c2ccccc2)c(OC(C)=O)cc1/C=C\c1ccccc1 ZINC000005789510 570690394 /nfs/dbraw/zinc/69/03/94/570690394.db2.gz AXVJOHFGZJHVOL-VMNXYWKNSA-N 0 0 398.458 5.878 50 0 GKAARN COc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1OC ZINC000012621353 570691468 /nfs/dbraw/zinc/69/14/68/570691468.db2.gz VZAIMRIMVCPQBX-UHFFFAOYSA-N 0 0 388.467 5.190 50 0 GKAARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 ZINC000012624800 570691497 /nfs/dbraw/zinc/69/14/97/570691497.db2.gz MDYMQWWEMXINBG-GYHWCHFESA-N 0 0 376.912 6.151 50 0 GKAARN CCCC[C@@H](NC(=O)c1cccc(NCc2cccnc2)c1C)c1cccnc1 ZINC000055343271 570691692 /nfs/dbraw/zinc/69/16/92/570691692.db2.gz HDTYTWJRKJKGOO-HSZRJFAPSA-N 0 0 388.515 5.058 50 0 GKAARN Cc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C)CC2)c(C)c1 ZINC000005798777 570692446 /nfs/dbraw/zinc/69/24/46/570692446.db2.gz JDQYTCFFWAXQGA-UHFFFAOYSA-N 0 0 389.547 5.413 50 0 GKAARN CCCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c1C ZINC000005798318 570692478 /nfs/dbraw/zinc/69/24/78/570692478.db2.gz YNEULFNWLCVCCE-UHFFFAOYSA-N 0 0 394.500 5.021 50 0 GKAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nnc(C)n2c3ccoc3cc12 ZINC000006894103 570693402 /nfs/dbraw/zinc/69/34/02/570693402.db2.gz DXUNNHUZJOPYFA-UHFFFAOYSA-N 0 0 390.468 5.348 50 0 GKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nncn2c3ccoc3cc12 ZINC000006893986 570693450 /nfs/dbraw/zinc/69/34/50/570693450.db2.gz CGXJFAIDHOZDOW-UHFFFAOYSA-N 0 0 396.859 5.385 50 0 GKAARN Cc1c(C(=O)NCc2ccc(F)cc2)oc2ccc3c(c12)C=CC1(CCCC1)O3 ZINC000006894484 570693808 /nfs/dbraw/zinc/69/38/08/570693808.db2.gz PESLGQKARJEMOJ-UHFFFAOYSA-N 0 0 391.442 5.529 50 0 biogenic GKAARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)cc2)cs1 ZINC000012636021 570694352 /nfs/dbraw/zinc/69/43/52/570694352.db2.gz TXUDSMFNUMACSX-HNNXBMFYSA-N 0 0 379.529 5.681 50 0 GKAARN Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c(Cl)c1 ZINC000012651296 570695510 /nfs/dbraw/zinc/69/55/10/570695510.db2.gz HHFNIYXEMOITDF-UHFFFAOYSA-N 0 0 394.837 5.082 50 0 GKAARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nc2c1 ZINC000012651251 570695513 /nfs/dbraw/zinc/69/55/13/570695513.db2.gz VQRIJQJTICLTSF-UHFFFAOYSA-N 0 0 391.858 5.919 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(OC)cc3OC)c3ccccc3o2)cc1 ZINC000012662752 570696410 /nfs/dbraw/zinc/69/64/10/570696410.db2.gz XVPATPSHYCVBDN-NJNXFGOHSA-N 0 0 387.435 5.358 50 0 biogenic GKAARN C[C@H](NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21)c1ccccc1 ZINC000055554113 570696525 /nfs/dbraw/zinc/69/65/25/570696525.db2.gz WWRPZOCVCGEYSP-SFHVURJKSA-N 0 0 388.511 5.282 50 0 GKAARN Cc1ccc(NCCC(=O)c2ccc(-c3ccccc3)cc2)cc1Br ZINC000004622405 570696801 /nfs/dbraw/zinc/69/68/01/570696801.db2.gz XMKQERDQNRXQJC-UHFFFAOYSA-N 0 0 394.312 6.109 50 0 GKAARN Cc1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1C ZINC000004357175 570696970 /nfs/dbraw/zinc/69/69/70/570696970.db2.gz OCQIVALOKUDMDS-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN Cc1ccc2c(C[NH2+]C3CCCCC3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000006901278 570696980 /nfs/dbraw/zinc/69/69/80/570696980.db2.gz MJGTZNLMPDWMKE-UHFFFAOYSA-N 0 0 394.490 5.258 50 0 GKAARN Cc1ccccc1-n1c(SCc2ccc(F)cc2)nnc1-c1cccnc1 ZINC000004357491 570697439 /nfs/dbraw/zinc/69/74/39/570697439.db2.gz BXKIPPXJAZUUJN-UHFFFAOYSA-N 0 0 376.460 5.069 50 0 GKAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004358653 570698566 /nfs/dbraw/zinc/69/85/66/570698566.db2.gz UBNXZNVLXDZWHL-UHFFFAOYSA-N 0 0 396.531 5.528 50 0 GKAARN Fc1ccc(-n2c(SCc3ccc(F)c(F)c3)nnc2-c2ccco2)cc1 ZINC000004358959 570698568 /nfs/dbraw/zinc/69/85/68/570698568.db2.gz GEAUYSIYHUPTBO-UHFFFAOYSA-N 0 0 387.386 5.237 50 0 GKAARN CCOC(=O)/C=C\c1ccc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1 ZINC000096313793 570698735 /nfs/dbraw/zinc/69/87/35/570698735.db2.gz IJOGGLSOJODOAQ-XGICHPGQSA-N 0 0 395.455 5.383 50 0 GKAARN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000012701990 570699109 /nfs/dbraw/zinc/69/91/09/570699109.db2.gz XDWZBKZXNIIVAC-INIZCTEOSA-N 0 0 389.948 5.154 50 0 GKAARN COc1cccc(-c2nnc(SCc3cccc(C)c3)n2-c2ccccc2)c1 ZINC000004359061 570699134 /nfs/dbraw/zinc/69/91/34/570699134.db2.gz NSVQSLJYGNOSGN-UHFFFAOYSA-N 0 0 387.508 5.544 50 0 GKAARN Cc1ccc(Nc2nc(COC(=O)c3cc4c(s3)CCCCC4)cs2)cc1 ZINC000006912449 570699549 /nfs/dbraw/zinc/69/95/49/570699549.db2.gz DSSMBNRHNWPCKX-UHFFFAOYSA-N 0 0 398.553 5.883 50 0 GKAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2cccc(C)c2)n1 ZINC000004623256 570699730 /nfs/dbraw/zinc/69/97/30/570699730.db2.gz XETPZQHKFHTLBN-UHFFFAOYSA-N 0 0 398.297 5.791 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCc3ccc(C)cc3)cc12 ZINC000006913108 570700084 /nfs/dbraw/zinc/70/00/84/570700084.db2.gz LIQRCXZBLWBPSS-UHFFFAOYSA-N 0 0 396.534 5.587 50 0 GKAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)Nc3cccc(C)c3)cc1CC2 ZINC000033049026 570700293 /nfs/dbraw/zinc/70/02/93/570700293.db2.gz FGFDJBAIJIVDQC-UHFFFAOYSA-N 0 0 399.519 5.569 50 0 GKAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCCc3ccccc32)s1 ZINC000006913764 570700438 /nfs/dbraw/zinc/70/04/38/570700438.db2.gz HJFRBRDMKDTOLU-UHFFFAOYSA-N 0 0 396.943 5.458 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc12 ZINC000006913143 570700515 /nfs/dbraw/zinc/70/05/15/570700515.db2.gz XJSSMAIJPRXMBG-IBGZPJMESA-N 0 0 396.534 5.840 50 0 aggregator GKAARN COc1ccc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(F)c1 ZINC000012713762 570703809 /nfs/dbraw/zinc/70/38/09/570703809.db2.gz DXLFRNGZJBJBAD-MRXNPFEDSA-N 0 0 389.474 5.332 50 0 GKAARN CCOc1cc2c(cc1NC(=O)c1ccc(-c3cccs3)nc1C)O[C@H](C)C2 ZINC000057941234 570704428 /nfs/dbraw/zinc/70/44/28/570704428.db2.gz CGVATEYQWLREOL-CYBMUJFWSA-N 0 0 394.496 5.093 50 0 GKAARN O=C1CCCc2cc(-c3csc(Cc4nc5ccccc5s4)n3)ccc2N1 ZINC000057985172 570705030 /nfs/dbraw/zinc/70/50/30/570705030.db2.gz AKNSLDDJXLHAGU-UHFFFAOYSA-N 0 0 391.521 5.285 50 0 GKAARN Oc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000006915038 570705306 /nfs/dbraw/zinc/70/53/06/570705306.db2.gz IGEMDBPBXCKKJX-LJQANCHMSA-N 0 0 395.821 5.436 50 0 GKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1 ZINC000006915030 570705327 /nfs/dbraw/zinc/70/53/27/570705327.db2.gz CCWBNVRWVNYBGY-FQEVSTJZSA-N 0 0 393.849 6.039 50 0 GKAARN CCN(CC)C(=O)[C@@H](Sc1nc(C)c(Cc2ccccc2)[nH]1)c1ccccc1 ZINC000017704257 570706778 /nfs/dbraw/zinc/70/67/78/570706778.db2.gz XPXJVYITYDJCQI-NRFANRHFSA-N 0 0 393.556 5.011 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(Br)ccc1Cl ZINC000002970479 570722028 /nfs/dbraw/zinc/72/20/28/570722028.db2.gz OAHIKYZVTLMZTA-UHFFFAOYSA-N 0 0 378.575 5.374 50 0 GKAARN Cn1nc(-c2ccccc2)c(CSc2cc(Cl)ccc2Cl)c1Cl ZINC000006925446 570707033 /nfs/dbraw/zinc/70/70/33/570707033.db2.gz LNSRDNXCOFVOCJ-UHFFFAOYSA-N 0 0 383.731 6.340 50 0 GKAARN CCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)c1 ZINC000032622317 570707112 /nfs/dbraw/zinc/70/71/12/570707112.db2.gz RZPKQGAWYKIDAC-UHFFFAOYSA-N 0 0 385.423 5.055 50 0 GKAARN Cc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)c1C ZINC000032622525 570707127 /nfs/dbraw/zinc/70/71/27/570707127.db2.gz VCCHKYDDIBQWLJ-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc(NC(=O)[C@@H](C)SC(c2ccccc2)c2ccccc2)cc1F ZINC000058017890 570707307 /nfs/dbraw/zinc/70/73/07/570707307.db2.gz XMZYYBXHSJKPDL-QGZVFWFLSA-N 0 0 379.500 5.984 50 0 GKAARN COc1ccc(CNc2ccc(Br)c(C)c2)cc1Br ZINC000000647166 570708773 /nfs/dbraw/zinc/70/87/73/570708773.db2.gz DMMDXDYWKFGNQX-UHFFFAOYSA-N 0 0 385.099 5.141 50 0 GKAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cccc2ccccc21 ZINC000058129413 570709715 /nfs/dbraw/zinc/70/97/15/570709715.db2.gz IPAZVKGSZPUTPR-UHFFFAOYSA-N 0 0 381.479 5.778 50 0 GKAARN COc1ccc(Br)cc1CNc1ccc(C)cc1Br ZINC000000851047 570709878 /nfs/dbraw/zinc/70/98/78/570709878.db2.gz AQCPMKOINMAOBY-UHFFFAOYSA-N 0 0 385.099 5.141 50 0 GKAARN CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C ZINC000006930894 570710057 /nfs/dbraw/zinc/71/00/57/570710057.db2.gz QKVZCCXOZQDSMB-HOYKHHGWSA-N 0 0 384.479 5.220 50 0 GKAARN O=C(CCC(F)(F)F)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012757855 570710094 /nfs/dbraw/zinc/71/00/94/570710094.db2.gz FQJQSRKTGAOJNK-IBGZPJMESA-N 0 0 389.417 5.117 50 0 GKAARN Cc1nc(-c2ccccc2)c(NC(=O)CSc2nc3ccccc3s2)s1 ZINC000058138589 570710199 /nfs/dbraw/zinc/71/01/99/570710199.db2.gz IQMSOYRICHLWAW-UHFFFAOYSA-N 0 0 397.550 5.459 50 0 GKAARN CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OC ZINC000000982670 570711267 /nfs/dbraw/zinc/71/12/67/570711267.db2.gz OSKSNJZGWSVZEP-UHFFFAOYSA-N 0 0 384.701 5.430 50 0 GKAARN Cc1cccc(-n2c(SCc3ccc(C)c(C)c3)nnc2C2CCCCC2)c1 ZINC000004365601 570711514 /nfs/dbraw/zinc/71/15/14/570711514.db2.gz NSXKCDAYXVIYII-UHFFFAOYSA-N 0 0 391.584 6.533 50 0 GKAARN Cc1cccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2F)c1 ZINC000004366338 570711534 /nfs/dbraw/zinc/71/15/34/570711534.db2.gz SZFAXKOCUJFPPS-UHFFFAOYSA-N 0 0 375.472 5.674 50 0 GKAARN COc1ccc2oc(-c3ccc(NC(=O)c4cccc5ccccc54)cc3)nc2c1 ZINC000001065438 570711614 /nfs/dbraw/zinc/71/16/14/570711614.db2.gz NWKHSOFDUGALRS-UHFFFAOYSA-N 0 0 394.430 5.909 50 0 GKAARN COc1ccc(Br)c(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000001042461 570711681 /nfs/dbraw/zinc/71/16/81/570711681.db2.gz KONMPUMBYXHAHL-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN Cc1ccc(C)c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446880 570711899 /nfs/dbraw/zinc/71/18/99/570711899.db2.gz LIOHFIRMTGTONO-NRFANRHFSA-N 0 0 382.554 5.013 50 0 GKAARN O=C(Nc1ccc(-c2ccncc2)nc1)NC(c1ccccc1)c1ccccc1 ZINC000585149397 570712674 /nfs/dbraw/zinc/71/26/74/570712674.db2.gz PNDXWSNMPFPVJI-UHFFFAOYSA-N 0 0 380.451 5.055 50 0 GKAARN Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1Br ZINC000001156923 570712741 /nfs/dbraw/zinc/71/27/41/570712741.db2.gz OKQXNRCAYZKAPY-UHFFFAOYSA-N 0 0 396.284 5.589 50 0 GKAARN O=C(Nc1ccccc1Br)c1ccc(OCc2ccccc2)cc1 ZINC000001156297 570712794 /nfs/dbraw/zinc/71/27/94/570712794.db2.gz XYPYICJNZZVFNO-UHFFFAOYSA-N 0 0 382.257 5.280 50 0 GKAARN COc1ccc(C(C)=O)cc1CN1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058160597 570713017 /nfs/dbraw/zinc/71/30/17/570713017.db2.gz REBFZFRPGUZKQQ-LJQANCHMSA-N 0 0 380.513 5.235 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000006939842 570713224 /nfs/dbraw/zinc/71/32/24/570713224.db2.gz KHVOQDKRGGYGBX-UHFFFAOYSA-N 0 0 394.837 5.016 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cccc2ccccc21 ZINC000001186335 570713323 /nfs/dbraw/zinc/71/33/23/570713323.db2.gz UZCBNCFRHGBFLR-UHFFFAOYSA-N 0 0 394.190 5.873 50 0 GKAARN Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 ZINC000001179021 570713477 /nfs/dbraw/zinc/71/34/77/570713477.db2.gz VKVMOJWRKXOABD-UHFFFAOYSA-N 0 0 393.097 5.935 50 0 GKAARN O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012790587 570713768 /nfs/dbraw/zinc/71/37/68/570713768.db2.gz LUBMWGNWFIXUKL-HXUWFJFHSA-N 0 0 399.519 5.202 50 0 GKAARN CCc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 ZINC000006935644 570714169 /nfs/dbraw/zinc/71/41/69/570714169.db2.gz XMZNVMGBCFMUTA-UHFFFAOYSA-N 0 0 393.918 5.745 50 0 GKAARN O=C(NC1CCCCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935597 570714172 /nfs/dbraw/zinc/71/41/72/570714172.db2.gz GWRLORGSXBCRRX-UHFFFAOYSA-N 0 0 385.939 5.383 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)NCCc1cn(CC(C)C)c2ncccc12 ZINC000065156690 570714617 /nfs/dbraw/zinc/71/46/17/570714617.db2.gz BHSVQQUBPDBSSP-UHFFFAOYSA-N 0 0 384.911 5.018 50 0 GKAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3ccc(C)cc3)CC2)c1C ZINC000006942082 570714957 /nfs/dbraw/zinc/71/49/57/570714957.db2.gz JBOIDOWIIYIMOY-UHFFFAOYSA-N 0 0 396.531 5.035 50 0 GKAARN Cc1cc(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c(C)n1C1CC1 ZINC000058172408 570715334 /nfs/dbraw/zinc/71/53/34/570715334.db2.gz ZSARLZFOKJPVFK-UHFFFAOYSA-N 0 0 393.556 5.112 50 0 GKAARN O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc(F)cc1Cl ZINC000012795205 570715736 /nfs/dbraw/zinc/71/57/36/570715736.db2.gz VCQFQXPOMLDTIU-UHFFFAOYSA-N 0 0 397.859 5.014 50 0 GKAARN CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000006944713 570715841 /nfs/dbraw/zinc/71/58/41/570715841.db2.gz ASGIBCAFRYOWKY-UHFFFAOYSA-N 0 0 394.496 5.119 50 0 GKAARN CCc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)c1 ZINC000065153975 570717274 /nfs/dbraw/zinc/71/72/74/570717274.db2.gz FXABSVCIRKXSBR-UHFFFAOYSA-N 0 0 398.441 5.159 50 0 GKAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(C)cc2C)c1C ZINC000006948712 570717288 /nfs/dbraw/zinc/71/72/88/570717288.db2.gz FINCSKHNWWUPIB-UHFFFAOYSA-N 0 0 378.447 5.061 50 0 GKAARN Cc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)c1C ZINC000065154066 570717326 /nfs/dbraw/zinc/71/73/26/570717326.db2.gz HFZRAAKYUOPNJF-UHFFFAOYSA-N 0 0 398.441 5.214 50 0 GKAARN CSc1ccc(CN(C)C(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 ZINC000012800388 570717479 /nfs/dbraw/zinc/71/74/79/570717479.db2.gz XNPABSCTSOSPKY-UHFFFAOYSA-N 0 0 398.553 5.025 50 0 GKAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)C1CC1 ZINC000012816140 570720848 /nfs/dbraw/zinc/72/08/48/570720848.db2.gz YCYWAKBCYXOFBM-UHFFFAOYSA-N 0 0 394.340 5.120 50 0 GKAARN CC(C)CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 ZINC000006951493 570721208 /nfs/dbraw/zinc/72/12/08/570721208.db2.gz AWEDZASXRDKTIK-UHFFFAOYSA-N 0 0 380.492 5.693 50 0 GKAARN O=C(Cn1ccc2ccc(F)cc21)N1CCC(c2coc3cc(F)ccc32)CC1 ZINC000032646450 570721515 /nfs/dbraw/zinc/72/15/15/570721515.db2.gz MJAZRRKZVWEGLM-UHFFFAOYSA-N 0 0 394.421 5.072 50 0 GKAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000006960082 570721766 /nfs/dbraw/zinc/72/17/66/570721766.db2.gz QQLVYGPJCHACDV-UHFFFAOYSA-N 0 0 381.781 5.427 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002998770 570722000 /nfs/dbraw/zinc/72/20/00/570722000.db2.gz 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ZINC000000998989 570744662 /nfs/dbraw/zinc/74/46/62/570744662.db2.gz SYGFBTFTAIFFGU-UHFFFAOYSA-N 0 0 378.435 5.339 50 0 GKAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000001006552 570745115 /nfs/dbraw/zinc/74/51/15/570745115.db2.gz OJDVIJUOEKCDBV-UHFFFAOYSA-N 0 0 394.858 5.243 50 0 GKAARN CCOCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000021797929 570745924 /nfs/dbraw/zinc/74/59/24/570745924.db2.gz ULVMYOHBQZXZLW-UHFFFAOYSA-N 0 0 390.462 5.065 50 0 GKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCc1ccccc1 ZINC000021797954 570746128 /nfs/dbraw/zinc/74/61/28/570746128.db2.gz NMVLZTAYOASLBZ-UHFFFAOYSA-N 0 0 390.490 6.008 50 0 GKAARN C[C@@H]1SC2=NC3=C(CCc4ccccc43)[C@H](c3ccc(Cl)cc3)N2C1=O ZINC000001017903 570746282 /nfs/dbraw/zinc/74/62/82/570746282.db2.gz ZWNGAVDMKOQOCV-BUXKBTBVSA-N 0 0 380.900 5.072 50 0 GKAARN Cc1ccc(Cn2c(SCc3ccccc3C)nc3ccccc3c2=O)cc1 ZINC000004411779 570746569 /nfs/dbraw/zinc/74/65/69/570746569.db2.gz FUEWZJPZEGSJHH-UHFFFAOYSA-N 0 0 386.520 5.354 50 0 GKAARN FC(F)Oc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 ZINC000001015796 570746635 /nfs/dbraw/zinc/74/66/35/570746635.db2.gz JGXPKSWDTWVKFK-LJQANCHMSA-N 0 0 387.476 6.707 50 0 GKAARN COC(=O)c1ccc(-n2c3c(c(=S)nc2-c2ccc(F)cc2)CCCC3)cc1 ZINC000001015771 570746715 /nfs/dbraw/zinc/74/67/15/570746715.db2.gz SKACEXZXFIRIRV-UHFFFAOYSA-N 0 0 394.471 5.073 50 0 GKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCCc1ccccc1 ZINC000033059914 570746866 /nfs/dbraw/zinc/74/68/66/570746866.db2.gz UZGCVBNMLJVAQJ-UHFFFAOYSA-N 0 0 389.524 5.066 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccc(Cl)cc1 ZINC000004412290 570746909 /nfs/dbraw/zinc/74/69/09/570746909.db2.gz ABVQUDADLPGFGH-UHFFFAOYSA-N 0 0 392.911 5.391 50 0 GKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NC1CCCCCCC1 ZINC000033059904 570746912 /nfs/dbraw/zinc/74/69/12/570746912.db2.gz FNFFWQBTUGNKFV-UHFFFAOYSA-N 0 0 381.545 5.547 50 0 GKAARN CCC[C@@H](NC(=O)c1sc2ncccc2c1-n1cccc1)c1cccs1 ZINC000033059835 570746967 /nfs/dbraw/zinc/74/69/67/570746967.db2.gz GVSPJFRBJPGYLA-OAHLLOKOSA-N 0 0 381.526 5.420 50 0 GKAARN C[C@@H](C(=O)c1ccc(Cl)cc1)[C@H](O)c1cccn(-c2ccccc2)c1=S ZINC000001023815 570747279 /nfs/dbraw/zinc/74/72/79/570747279.db2.gz XDCBXKOCHRSIGY-XOBRGWDASA-N 0 0 383.900 5.413 50 0 GKAARN O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001021752 570747341 /nfs/dbraw/zinc/74/73/41/570747341.db2.gz YJFNTTORWGUCFO-UHFFFAOYSA-N 0 0 399.277 5.176 50 0 GKAARN Cc1ccccc1NCn1nc(-c2ccccc2Br)oc1=S ZINC000001055934 570748159 /nfs/dbraw/zinc/74/81/59/570748159.db2.gz JMJGNBAPNGKYCA-UHFFFAOYSA-N 0 0 376.279 5.013 50 0 GKAARN CNC(=O)Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 ZINC000001043791 570748310 /nfs/dbraw/zinc/74/83/10/570748310.db2.gz NYFCPRBQLZPKLH-JOCHJYFZSA-N 0 0 388.492 5.763 50 0 GKAARN CCC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000004413708 570749274 /nfs/dbraw/zinc/74/92/74/570749274.db2.gz JPOWIHSCCIJXSK-INIZCTEOSA-N 0 0 380.513 5.406 50 0 GKAARN Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccc(C(C)C)cc3)[nH]c2c1C ZINC000033064038 570749481 /nfs/dbraw/zinc/74/94/81/570749481.db2.gz OENULCJIOBDEHA-UHFFFAOYSA-N 0 0 394.540 5.140 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000063598829 570750231 /nfs/dbraw/zinc/75/02/31/570750231.db2.gz OIMCFOBBZYJVTC-UHFFFAOYSA-N 0 0 392.886 5.362 50 0 GKAARN COc1cccc(Nc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001080224 570750633 /nfs/dbraw/zinc/75/06/33/570750633.db2.gz CCTKZFLJKJFUQT-UHFFFAOYSA-N 0 0 387.361 5.105 50 0 GKAARN Cc1c(O)ccc([C@@]23CCC[C@H]2C2(CCCC2)c2ccc(O)c(C)c2O3)c1O ZINC000001079802 570750681 /nfs/dbraw/zinc/75/06/81/570750681.db2.gz QYRVEVBLKHVGPQ-RDPSFJRHSA-N 0 0 380.484 5.320 50 0 GKAARN Cc1ccc2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCCCCC3)c2c1 ZINC000063846522 570751221 /nfs/dbraw/zinc/75/12/21/570751221.db2.gz POSANCWVADKGAY-UHFFFAOYSA-N 0 0 376.504 5.004 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 ZINC000036616218 570751951 /nfs/dbraw/zinc/75/19/51/570751951.db2.gz RYAHUWSZBQLQEW-UHFFFAOYSA-N 0 0 398.510 5.472 50 0 GKAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1 ZINC000013282009 570752450 /nfs/dbraw/zinc/75/24/50/570752450.db2.gz LCKGBMJFXXOTFR-UHFFFAOYSA-N 0 0 388.833 5.487 50 0 GKAARN Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)c1 ZINC000013281833 570752577 /nfs/dbraw/zinc/75/25/77/570752577.db2.gz BBWXGNVUMBHJQK-UHFFFAOYSA-N 0 0 391.261 5.943 50 0 GKAARN Oc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000013284576 570752655 /nfs/dbraw/zinc/75/26/55/570752655.db2.gz PVIKQNRJHNPTMI-UHFFFAOYSA-N 0 0 381.262 6.423 50 0 GKAARN CCc1nc2sc3c(c2c(Oc2cccc4ccc(C)nc42)n1)CCCC3 ZINC000001094853 570752695 /nfs/dbraw/zinc/75/26/95/570752695.db2.gz CPKZFYBDZLLLAP-UHFFFAOYSA-N 0 0 375.497 5.781 50 0 GKAARN Cc1ccc(NC2=C[C@H](c3ccc4c(c3)OCO4)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001097729 570752700 /nfs/dbraw/zinc/75/27/00/570752700.db2.gz UXJQXTOCJSCBHR-JOCHJYFZSA-N 0 0 398.462 5.116 50 0 GKAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccc(F)cc1 ZINC000036616569 570752866 /nfs/dbraw/zinc/75/28/66/570752866.db2.gz LHSGNXZHFVOZEC-UHFFFAOYSA-N 0 0 388.446 5.126 50 0 GKAARN O=C(Nc1ccc2ccccc2c1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000006886216 570753035 /nfs/dbraw/zinc/75/30/35/570753035.db2.gz HAMVTNJSIUYXNI-UHFFFAOYSA-N 0 0 391.426 5.866 50 0 GKAARN CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000013303686 570753197 /nfs/dbraw/zinc/75/31/97/570753197.db2.gz RKQCSUHXBSQICK-NIEGWMDSSA-N 0 0 399.321 6.136 50 0 GKAARN CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2CC)c1ccccc1 ZINC000036616781 570753355 /nfs/dbraw/zinc/75/33/55/570753355.db2.gz VTRLDNZVCPPVTJ-UHFFFAOYSA-N 0 0 398.510 5.402 50 0 GKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)cc1F ZINC000013364396 570753819 /nfs/dbraw/zinc/75/38/19/570753819.db2.gz KCYOZFRVBQQDQG-HXUWFJFHSA-N 0 0 377.394 5.525 50 0 GKAARN Clc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364355 570754005 /nfs/dbraw/zinc/75/40/05/570754005.db2.gz VQJRHZULTKHXFL-IBGZPJMESA-N 0 0 396.277 6.245 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000096515458 570754211 /nfs/dbraw/zinc/75/42/11/570754211.db2.gz IAQGFMWIBPVWLB-UHFFFAOYSA-N 0 0 397.862 5.445 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1)C2=O ZINC000013408820 570754283 /nfs/dbraw/zinc/75/42/83/570754283.db2.gz PORULZDRKHXBSZ-VIDNYMPJSA-N 0 0 376.540 5.573 50 0 GKAARN FC(F)(F)c1cc(-c2ccco2)nc2onc(-c3ccc(Cl)c(Cl)c3)c21 ZINC000036617357 570754957 /nfs/dbraw/zinc/75/49/57/570754957.db2.gz YRQVKMBXNQOAJA-UHFFFAOYSA-N 0 0 399.155 6.475 50 0 GKAARN c1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N24)cc1 ZINC000013511051 570756104 /nfs/dbraw/zinc/75/61/04/570756104.db2.gz MJAVVCYAKFNNDX-VMODYCNZSA-N 0 0 378.519 6.644 50 0 GKAARN c1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Oc3ccccc3N24)cc1 ZINC000013510832 570756208 /nfs/dbraw/zinc/75/62/08/570756208.db2.gz AHIXHZXYZJAXJS-KHVXQDHOSA-N 0 0 379.503 6.610 50 0 GKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)n1 ZINC000064801409 570756283 /nfs/dbraw/zinc/75/62/83/570756283.db2.gz AEAVAJHLYXLTQN-UHFFFAOYSA-N 0 0 390.491 5.221 50 0 GKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)n1 ZINC000064801410 570756386 /nfs/dbraw/zinc/75/63/86/570756386.db2.gz MERPJIPTFYXXMX-UHFFFAOYSA-N 0 0 394.454 5.052 50 0 GKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)n1 ZINC000064801400 570756428 /nfs/dbraw/zinc/75/64/28/570756428.db2.gz BYWOFVLWTCWHMW-UHFFFAOYSA-N 0 0 390.491 5.221 50 0 GKAARN Cc1cc([C@H](Nc2ccccn2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000064790093 570756601 /nfs/dbraw/zinc/75/66/01/570756601.db2.gz CZJDVGOGRPPVHD-GOSISDBHSA-N 0 0 395.509 5.560 50 0 GKAARN O=C(NCc1cncc(-c2ccsc2)c1)Nc1ccccc1C(F)(F)F ZINC000206949452 570756755 /nfs/dbraw/zinc/75/67/55/570756755.db2.gz GZRGACWHCQSBKP-UHFFFAOYSA-N 0 0 377.391 5.151 50 0 GKAARN COc1ccc(C(=S)N2CCCCC2)cc1OCc1cccc2ccccc21 ZINC000036612274 570756735 /nfs/dbraw/zinc/75/67/35/570756735.db2.gz PKTIXAIFUMJQHI-UHFFFAOYSA-N 0 0 391.536 5.589 50 0 GKAARN Cc1nn(C(=O)[C@@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000013534807 570756942 /nfs/dbraw/zinc/75/69/42/570756942.db2.gz RUDHCMFSSWANRF-SVLHETHWSA-N 0 0 386.845 5.085 50 0 GKAARN O=C(NCc1cncc(-c2ccsc2)c1)C1c2ccccc2Oc2ccccc21 ZINC000206944390 570756982 /nfs/dbraw/zinc/75/69/82/570756982.db2.gz OFOBCFUFBUOVBR-UHFFFAOYSA-N 0 0 398.487 5.364 50 0 GKAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)cc1 ZINC000033068746 570757058 /nfs/dbraw/zinc/75/70/58/570757058.db2.gz QIEUDVIQJWNQKP-UHFFFAOYSA-N 0 0 399.519 5.260 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)Nc3ccccc3)s2)c1 ZINC000013548946 570757386 /nfs/dbraw/zinc/75/73/86/570757386.db2.gz OPWTVKFFBZXYAL-UHFFFAOYSA-N 0 0 382.489 5.193 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000064984187 570757398 /nfs/dbraw/zinc/75/73/98/570757398.db2.gz MMGGQKMEKXGIRR-QFIPXVFZSA-N 0 0 387.545 5.125 50 0 GKAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)no1 ZINC000064984761 570757427 /nfs/dbraw/zinc/75/74/27/570757427.db2.gz AAKBQHVJKDJRGW-HNNXBMFYSA-N 0 0 396.260 5.069 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)cc(C)c3)c12 ZINC000036613891 570757528 /nfs/dbraw/zinc/75/75/28/570757528.db2.gz OLESZCALEUDNHQ-UHFFFAOYSA-N 0 0 375.403 5.206 50 0 GKAARN CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1C(F)(F)F ZINC000025532550 570757807 /nfs/dbraw/zinc/75/78/07/570757807.db2.gz ITJDMXGIYHLCGO-UHFFFAOYSA-N 0 0 381.785 5.041 50 0 GKAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(Oc4ccc(C)cc4)cc3)no2)c1 ZINC000065005173 570757845 /nfs/dbraw/zinc/75/78/45/570757845.db2.gz WCPOEDQDKFXWNW-UHFFFAOYSA-N 0 0 385.423 5.463 50 0 GKAARN Cc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013551262 570757958 /nfs/dbraw/zinc/75/79/58/570757958.db2.gz MQDSWDGSTWBNRV-XMMPIXPASA-N 0 0 398.510 5.111 50 0 GKAARN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(F)c1)C(C)(C)N2 ZINC000013562034 570758194 /nfs/dbraw/zinc/75/81/94/570758194.db2.gz VCEZVUPGKKMDPM-QOCHGBHMSA-N 0 0 386.517 5.907 50 0 GKAARN CCCCCn1c2ccccc2nc1[C@H](CCSC)NC(=O)c1ccccc1 ZINC000013562907 570758285 /nfs/dbraw/zinc/75/82/85/570758285.db2.gz KTILELKNJCNOAX-FQEVSTJZSA-N 0 0 395.572 5.451 50 0 GKAARN Cc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccccc1 ZINC000013563268 570758290 /nfs/dbraw/zinc/75/82/90/570758290.db2.gz NIUNURIIMRBHCW-UHFFFAOYSA-N 0 0 375.859 5.299 50 0 GKAARN Cc1cccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021915552 570758555 /nfs/dbraw/zinc/75/85/55/570758555.db2.gz IXNSQWFCTHJWHA-UHFFFAOYSA-N 0 0 399.494 5.084 50 0 GKAARN CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000013564147 570758881 /nfs/dbraw/zinc/75/88/81/570758881.db2.gz FCQRKKONHTZKCW-DENIHFKCSA-N 0 0 382.891 5.169 50 0 GKAARN COc1ccc(CN(CC[C@H](Cc2ccccc2)c2ccco2)C(C)=O)cc1 ZINC000001161910 570759170 /nfs/dbraw/zinc/75/91/70/570759170.db2.gz AIFUSGRWVHLYES-JOCHJYFZSA-N 0 0 377.484 5.053 50 0 biogenic GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)o1 ZINC000004424261 570759708 /nfs/dbraw/zinc/75/97/08/570759708.db2.gz UOIVLDFIKYDAEK-WIYYLYMNSA-N 0 0 382.822 5.623 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000004426561 570760208 /nfs/dbraw/zinc/76/02/08/570760208.db2.gz UPLKSPFQBFVIBM-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2Cc3ccccc3[C@@H]2ON1c1ccccc1 ZINC000013581758 570760510 /nfs/dbraw/zinc/76/05/10/570760510.db2.gz RYPWPELNYBBKEN-COPCDDAFSA-N 0 0 390.870 5.013 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2C)c1 ZINC000013617351 570762864 /nfs/dbraw/zinc/76/28/64/570762864.db2.gz WUMOUGQRYGNYEE-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN O=C(c1ccccc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616422 570762944 /nfs/dbraw/zinc/76/29/44/570762944.db2.gz NTZISPNLOMNNTA-NFBKMPQASA-N 0 0 388.854 5.093 50 0 GKAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616368 570762947 /nfs/dbraw/zinc/76/29/47/570762947.db2.gz YYFZMYDBFUFMDD-FYYLOGMGSA-N 0 0 390.870 5.591 50 0 GKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C(C)C)cc1 ZINC000013616495 570762966 /nfs/dbraw/zinc/76/29/66/570762966.db2.gz SMOXFKCJTZLQCB-QUCCMNQESA-N 0 0 385.305 5.283 50 0 GKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000036620781 570765141 /nfs/dbraw/zinc/76/51/41/570765141.db2.gz OKVHBUDNFNOUHC-QFIPXVFZSA-N 0 0 387.520 5.399 50 0 GKAARN Cc1cccc(C)c1NC(=O)c1ccc(CN(C)[C@H](C)c2nccs2)cc1 ZINC000065393956 570765149 /nfs/dbraw/zinc/76/51/49/570765149.db2.gz IGBDWWHDAUBLLA-QGZVFWFLSA-N 0 0 379.529 5.205 50 0 GKAARN FC(F)Oc1ccc(-c2noc(-c3ccc(OC(F)F)cc3)c2Cl)cc1 ZINC000013640887 570765426 /nfs/dbraw/zinc/76/54/26/570765426.db2.gz SHSBMCMZBTXCOZ-UHFFFAOYSA-N 0 0 387.716 5.865 50 0 GKAARN O=C(Nc1ccccc1O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000036626757 570765571 /nfs/dbraw/zinc/76/55/71/570765571.db2.gz DLTLUQKVPIUVGK-UHFFFAOYSA-N 0 0 392.505 5.547 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(F)cc1 ZINC000021914068 570765620 /nfs/dbraw/zinc/76/56/20/570765620.db2.gz WIODLHYFEFRKGF-UHFFFAOYSA-N 0 0 394.837 5.058 50 0 GKAARN O=C(NC1CCCCC1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641567 570765636 /nfs/dbraw/zinc/76/56/36/570765636.db2.gz BOYFQIYIXYDNFK-UHFFFAOYSA-N 0 0 387.439 5.212 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(F)cc1 ZINC000021914063 570765741 /nfs/dbraw/zinc/76/57/41/570765741.db2.gz FJBKMBBTMQMTLS-UHFFFAOYSA-N 0 0 394.837 5.058 50 0 GKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)N[C@H]3CCCc4ccccc43)c12 ZINC000013642090 570765876 /nfs/dbraw/zinc/76/58/76/570765876.db2.gz NTCFVILSZVYAKQ-KRWDZBQOSA-N 0 0 389.480 5.067 50 0 GKAARN C[C@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1Cc1ccccc1 ZINC000013646583 570765939 /nfs/dbraw/zinc/76/59/39/570765939.db2.gz SWEBGSKWUCRRHR-INIZCTEOSA-N 0 0 389.886 5.229 50 0 GKAARN C[C@@H](c1ccccc1)n1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000013647922 570766400 /nfs/dbraw/zinc/76/64/00/570766400.db2.gz SESWUMYRFOZYBU-HNNXBMFYSA-N 0 0 397.305 6.531 50 0 GKAARN C[C@@H](Cn1cccn1)n1cnc(-c2ccccc2)c1-c1cnc2ccccc2c1 ZINC000065406344 570766471 /nfs/dbraw/zinc/76/64/71/570766471.db2.gz JBIQQAGBUOHVEF-SFHVURJKSA-N 0 0 379.467 5.223 50 0 GKAARN CCCN(CCC)C(=O)c1cc(CC)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000036621746 570766563 /nfs/dbraw/zinc/76/65/63/570766563.db2.gz DNSJFKSKEQBPNG-UHFFFAOYSA-N 0 0 390.531 5.123 50 0 GKAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1 ZINC000013655605 570767233 /nfs/dbraw/zinc/76/72/33/570767233.db2.gz JWAAPSGZUUFLQI-NRFANRHFSA-N 0 0 383.451 5.466 50 0 GKAARN CCN(C(=O)COc1ccccc1Br)c1cccc2ccccc21 ZINC000032721644 570768299 /nfs/dbraw/zinc/76/82/99/570768299.db2.gz DCOUGHNJUJWCKM-UHFFFAOYSA-N 0 0 384.273 5.034 50 0 GKAARN O=C(c1cc2ccccc2s1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206998550 570768642 /nfs/dbraw/zinc/76/86/42/570768642.db2.gz JBUBPHIEDHJTPX-SFHVURJKSA-N 0 0 387.957 5.875 50 0 GKAARN CC(=O)N1N=C(c2cc(C3CC3)nc3ccccc32)O[C@@H]1c1cccc(Cl)c1 ZINC000021941211 570773491 /nfs/dbraw/zinc/77/34/91/570773491.db2.gz FLVNJBFMZQYBJT-JOCHJYFZSA-N 0 0 391.858 5.005 50 0 GKAARN Cc1ccc([C@@]23C[C@H](C)Sc4ccccc4N2C(c2ccccc2)=NO3)cc1 ZINC000096601906 570774375 /nfs/dbraw/zinc/77/43/75/570774375.db2.gz OBGGVICBHZKFLJ-UUOWRZLLSA-N 0 0 386.520 5.931 50 0 GKAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 ZINC000013689682 570775015 /nfs/dbraw/zinc/77/50/15/570775015.db2.gz ZRNNCXCOZYOQBQ-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl ZINC000005669959 570775847 /nfs/dbraw/zinc/77/58/47/570775847.db2.gz IYWUWUDVXHWZBO-UHFFFAOYSA-N 0 0 379.769 5.012 50 0 aggregator GKAARN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 ZINC000004644273 570776098 /nfs/dbraw/zinc/77/60/98/570776098.db2.gz GZANOEJFDVXLIF-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000004644435 570776138 /nfs/dbraw/zinc/77/61/38/570776138.db2.gz DBBGHKLUWCKSDJ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cn1c2ccc3ccccc3c2s/c1=N\C(=O)c1ccc(-c2ccccc2)cc1 ZINC000100842144 570776320 /nfs/dbraw/zinc/77/63/20/570776320.db2.gz IBEVTOQXFVYHLQ-QPLCGJKRSA-N 0 0 394.499 5.801 50 0 GKAARN CCCCOc1ccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)cc1 ZINC000004644536 570776969 /nfs/dbraw/zinc/77/69/69/570776969.db2.gz JIQSQFHCCPPFLJ-ATVHPVEESA-N 0 0 390.266 5.517 50 0 GKAARN CCOc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4C)c3C)n2)cc1 ZINC000067341658 570779571 /nfs/dbraw/zinc/77/95/71/570779571.db2.gz LLSMBGOJVLOSTF-UHFFFAOYSA-N 0 0 394.475 5.212 50 0 GKAARN CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000004451323 570783748 /nfs/dbraw/zinc/78/37/48/570783748.db2.gz NYJZQZCOMQKJSQ-IZKRSNETSA-N 0 0 377.528 5.573 50 0 GKAARN c1ccc2c(c1)cccc2CSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000007089021 570784585 /nfs/dbraw/zinc/78/45/85/570784585.db2.gz SIHKEPIKBROSTI-IBGZPJMESA-N 0 0 376.437 5.028 50 0 GKAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1c1ccccc1 ZINC000004455960 570785031 /nfs/dbraw/zinc/78/50/31/570785031.db2.gz TXXFINMKWHICCW-HXUWFJFHSA-N 0 0 381.888 5.329 50 0 GKAARN CCCCc1nc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1CCC ZINC000007078591 570785240 /nfs/dbraw/zinc/78/52/40/570785240.db2.gz DKJHROIXOAYYNU-UHFFFAOYSA-N 0 0 399.365 7.413 50 0 GKAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(-c2ccccc2)s1 ZINC000032739365 570785363 /nfs/dbraw/zinc/78/53/63/570785363.db2.gz DKYSPOQNPNVBDM-UHFFFAOYSA-N 0 0 381.497 5.095 50 0 GKAARN CC(C)CCn1c2ccccc2nc1S[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000032739537 570785489 /nfs/dbraw/zinc/78/54/89/570785489.db2.gz RDYBBIJOUVUGEC-MRXNPFEDSA-N 0 0 392.528 5.986 50 0 GKAARN Cc1cccc(Cc2cnc(NC(=O)CSc3ccc(F)c(F)c3)s2)c1 ZINC000032740911 570786668 /nfs/dbraw/zinc/78/66/68/570786668.db2.gz FXVIVZXPMAUXFM-UHFFFAOYSA-N 0 0 390.480 5.051 50 0 GKAARN Cc1ccc2cc(C3(O)CCN(Cc4c(F)ccc(C)c4Cl)CC3)ccc2n1 ZINC000067713402 570787211 /nfs/dbraw/zinc/78/72/11/570787211.db2.gz LRBDSWHACODMGA-UHFFFAOYSA-N 0 0 398.909 5.128 50 0 GKAARN CCCn1c2ccc(Cl)cc2sc1=NC(=O)CSc1ccc(F)cc1 ZINC000101061373 570790065 /nfs/dbraw/zinc/79/00/65/570790065.db2.gz NHVCRVHDFXBSCW-UZYVYHOESA-N 0 0 394.924 5.125 50 0 GKAARN O=C(c1ccccc1)n1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000013785947 570790374 /nfs/dbraw/zinc/79/03/74/570790374.db2.gz NYOQLQFRMRUNPV-GYHWCHFESA-N 0 0 390.895 5.791 50 0 GKAARN Clc1ccc(Cl)c(NCc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000013801300 570791358 /nfs/dbraw/zinc/79/13/58/570791358.db2.gz DPHWQQFWMWEKQS-UHFFFAOYSA-N 0 0 382.294 6.004 50 0 GKAARN Cc1cc(C(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)c(C)o1 ZINC000036691922 570791809 /nfs/dbraw/zinc/79/18/09/570791809.db2.gz GCIUFOPYOOZDRZ-UHFFFAOYSA-N 0 0 391.496 5.365 50 0 GKAARN Fc1ccc(-c2nc(CSc3n[nH]c(C=Cc4cccs4)n3)co2)cc1 ZINC000025586382 570792549 /nfs/dbraw/zinc/79/25/49/570792549.db2.gz ODFWAXBIPCSLNL-BQYQJAHWSA-N 0 0 384.461 5.123 50 0 GKAARN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000036705413 570792907 /nfs/dbraw/zinc/79/29/07/570792907.db2.gz NTUDRINWKRPPMR-UHFFFAOYSA-N 0 0 389.411 5.006 50 0 GKAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000032747154 570793026 /nfs/dbraw/zinc/79/30/26/570793026.db2.gz VIAAYKOTWZSICD-PWSUYJOCSA-N 0 0 381.303 5.063 50 0 GKAARN COc1cc(OC)cc(-c2nc3sc4ccccc4n3c2NC(C)(C)C)c1 ZINC000065319290 570793438 /nfs/dbraw/zinc/79/34/38/570793438.db2.gz RIQUTCHGRPPHIH-UHFFFAOYSA-N 0 0 381.501 5.444 50 0 GKAARN CCc1ccc(-c2nc3sc4cc(OC)ccc4n3c2NCCCOC)cc1 ZINC000065319320 570793586 /nfs/dbraw/zinc/79/35/86/570793586.db2.gz GJFHFAOSIBYVHQ-UHFFFAOYSA-N 0 0 395.528 5.235 50 0 GKAARN CCCN(Cc1ccsc1)C(=O)c1cccc(-c2cc(C)c(C)[nH]c2=O)c1 ZINC000534649220 570793608 /nfs/dbraw/zinc/79/36/08/570793608.db2.gz WYLDRUGKWDZSEK-UHFFFAOYSA-N 0 0 380.513 5.185 50 0 GKAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000004463675 570793925 /nfs/dbraw/zinc/79/39/25/570793925.db2.gz UOFFHXGNJLPCIO-UHFFFAOYSA-N 0 0 390.483 5.185 50 0 GKAARN CCOCCO[P@@](=Nc1ccccc1OC)(c1ccc(C)o1)C(C)(C)C ZINC000005824781 570794743 /nfs/dbraw/zinc/79/47/43/570794743.db2.gz MYJSNOMSOKDEOM-SANMLTNESA-N 0 0 379.437 5.521 50 0 GKAARN CCOCCO[P@](=Nc1ccccc1OC)(c1ccc(C)o1)C(C)(C)C ZINC000005824783 570794800 /nfs/dbraw/zinc/79/48/00/570794800.db2.gz MYJSNOMSOKDEOM-AREMUKBSSA-N 0 0 379.437 5.521 50 0 GKAARN CC(C)(C)OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000005827362 570795309 /nfs/dbraw/zinc/79/53/09/570795309.db2.gz NUURYNYEVOYEEO-UHFFFAOYSA-N 0 0 388.920 5.172 50 0 GKAARN COc1ccc2cc(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)[nH]c2c1 ZINC000032760136 570795686 /nfs/dbraw/zinc/79/56/86/570795686.db2.gz OBDDHHKCGGAOGY-UHFFFAOYSA-N 0 0 388.423 5.230 50 0 GKAARN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000005671986 570796644 /nfs/dbraw/zinc/79/66/44/570796644.db2.gz JFFASZUIFJRMQA-UHFFFAOYSA-N 0 0 398.846 5.226 50 0 GKAARN O=C(Nc1ccccc1F)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000036709613 570797146 /nfs/dbraw/zinc/79/71/46/570797146.db2.gz BBPLEAQWFMKGFC-UHFFFAOYSA-N 0 0 383.810 5.375 50 0 GKAARN O=C(Nc1ccc(Br)cc1)c1ccc(C2SCCCS2)cc1 ZINC000007125806 570797190 /nfs/dbraw/zinc/79/71/90/570797190.db2.gz VUONIWYCOWPDBR-UHFFFAOYSA-N 0 0 394.359 5.570 50 0 GKAARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000005856929 570797683 /nfs/dbraw/zinc/79/76/83/570797683.db2.gz OIDSDFVITXKIKM-WDZFZDKYSA-N 0 0 376.269 5.538 50 0 GKAARN COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000018074525 570798705 /nfs/dbraw/zinc/79/87/05/570798705.db2.gz JOJIUJHBSDEMHF-QFIPXVFZSA-N 0 0 384.479 5.047 50 0 biogenic GKAARN CCCCc1ccc(NC2=NC(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S2)cc1 ZINC000005869455 570799242 /nfs/dbraw/zinc/79/92/42/570799242.db2.gz UDPTUDAZMRNMMR-LJQANCHMSA-N 0 0 386.948 5.644 50 0 GKAARN O=C(CSc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000005873053 570799811 /nfs/dbraw/zinc/79/98/11/570799811.db2.gz PPDLTPLUWSZWIM-INIZCTEOSA-N 0 0 384.551 5.280 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000005870768 570799838 /nfs/dbraw/zinc/79/98/38/570799838.db2.gz SGKZJQLSOJZWTG-HNNXBMFYSA-N 0 0 399.556 5.637 50 0 GKAARN COc1ccc(N=c2ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000096868688 570799960 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Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)o1 ZINC000004715886 570856131 /nfs/dbraw/zinc/85/61/31/570856131.db2.gz UQQVWRTXXWFHRI-WIYYLYMNSA-N 0 0 399.277 6.137 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715656 570856157 /nfs/dbraw/zinc/85/61/57/570856157.db2.gz ZHKWDMWODSIBOF-GCJKJVERSA-N 0 0 378.403 5.060 50 0 GKAARN COc1cccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004715819 570856164 /nfs/dbraw/zinc/85/61/64/570856164.db2.gz VKYDCRJKGPBMIM-PGRDOPGGSA-N 0 0 392.480 5.008 50 0 GKAARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000102670298 570856429 /nfs/dbraw/zinc/85/64/29/570856429.db2.gz ZNFUOOPSRZGSRG-XIKOKIGWSA-N 0 0 382.876 5.058 50 0 GKAARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000102670302 570856442 /nfs/dbraw/zinc/85/64/42/570856442.db2.gz ZNFUOOPSRZGSRG-SGTLLEGYSA-N 0 0 382.876 5.058 50 0 GKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000004545402 570856497 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COc1ccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1Cl ZINC000033254380 570858776 /nfs/dbraw/zinc/85/87/76/570858776.db2.gz LSAATDRUUPZARI-UHFFFAOYSA-N 0 0 397.862 5.309 50 0 GKAARN COc1ccc(OS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 ZINC000004713541 570858911 /nfs/dbraw/zinc/85/89/11/570858911.db2.gz QWJPDUXDEXAKFX-UHFFFAOYSA-N 0 0 390.545 5.833 50 0 GKAARN CCCCCC1CCC(c2ccc(-c3ccc(SC(F)F)cc3)cc2)CC1 ZINC000004548764 570859832 /nfs/dbraw/zinc/85/98/32/570859832.db2.gz QWRYBBZUENVOIJ-UHFFFAOYSA-N 0 0 388.567 8.522 50 0 GKAARN Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102733191 570859989 /nfs/dbraw/zinc/85/99/89/570859989.db2.gz MTZFJNLMCHKPNI-VFNWGFHPSA-N 0 0 388.423 5.002 50 0 GKAARN c1sc2ncnc(N[C@@H](c3ccccc3)c3ccccn3)c2c1-c1ccccc1 ZINC000012557902 570860049 /nfs/dbraw/zinc/86/00/49/570860049.db2.gz LKBZDSIFXKGSGJ-QFIPXVFZSA-N 0 0 394.503 5.955 50 0 GKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1 ZINC000102741430 570860336 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Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102752659 570862111 /nfs/dbraw/zinc/86/21/11/570862111.db2.gz AXVGLBXYYPUGPQ-AUUYWEPGSA-N 0 0 378.453 5.358 50 0 GKAARN Brc1csc(-c2cc(-c3ccncc3)nc(-c3ccccc3)n2)c1 ZINC000004722739 570862241 /nfs/dbraw/zinc/86/22/41/570862241.db2.gz OSMOQQQQOKSGNX-UHFFFAOYSA-N 0 0 394.297 5.697 50 0 GKAARN CC(C)Sc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 ZINC000044085459 570862264 /nfs/dbraw/zinc/86/22/64/570862264.db2.gz AQHSTPNBKCBLLN-UHFFFAOYSA-N 0 0 377.340 6.406 50 0 GKAARN Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SC(C)C)cc1 ZINC000044085544 570862336 /nfs/dbraw/zinc/86/23/36/570862336.db2.gz AWAAFPMWGZSLBA-UHFFFAOYSA-N 0 0 377.340 6.655 50 0 GKAARN CC(C)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000044085383 570862391 /nfs/dbraw/zinc/86/23/91/570862391.db2.gz WMULHRXWQAYVIX-UHFFFAOYSA-N 0 0 387.346 6.050 50 0 GKAARN CC(C)Sc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 ZINC000044087163 570862573 /nfs/dbraw/zinc/86/25/73/570862573.db2.gz XAAOYUVJTFXVFJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/86/30/79/570863079.db2.gz XHTDEQHSDQFWEL-UHFFFAOYSA-N 0 0 390.939 6.793 50 0 GKAARN Clc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)cc1 ZINC000044087497 570863126 /nfs/dbraw/zinc/86/31/26/570863126.db2.gz TXEPBPNDRTVGFP-UHFFFAOYSA-N 0 0 376.912 6.485 50 0 GKAARN Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2cccc(Cl)c2)cc1 ZINC000044087326 570863140 /nfs/dbraw/zinc/86/31/40/570863140.db2.gz NDCQXYCHRJNBEO-UHFFFAOYSA-N 0 0 390.939 6.793 50 0 GKAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000170605868 570863443 /nfs/dbraw/zinc/86/34/43/570863443.db2.gz XKEYIFRTBKEVDR-HSZRJFAPSA-N 0 0 398.510 5.163 50 0 GKAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)CCC2CCCC2)CC3)cc1 ZINC000033255850 570863609 /nfs/dbraw/zinc/86/36/09/570863609.db2.gz MAPMRCULFQYELR-UHFFFAOYSA-N 0 0 384.545 5.064 50 0 GKAARN Clc1cccc(Cl)c1CSc1ncnc2c1cnn2-c1ccccc1 ZINC000003378982 570863941 /nfs/dbraw/zinc/86/39/41/570863941.db2.gz NQAWKKAAKBLBIH-UHFFFAOYSA-N 0 0 387.295 5.415 50 0 GKAARN Cc1cc(C)c(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)c(C)c1 ZINC000033257420 570864028 /nfs/dbraw/zinc/86/40/28/570864028.db2.gz GNDJFCGRZAUNRV-UHFFFAOYSA-N 0 0 376.460 5.573 50 0 GKAARN CCc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003397974 570864141 /nfs/dbraw/zinc/86/41/41/570864141.db2.gz BKRHWNPVKKZHLQ-LBPRGKRZSA-N 0 0 399.749 5.668 50 0 GKAARN Cc1ccc(Nc2nc(C)c(NC(=O)C3CC3)c(Nc3ccc(C)cc3)n2)cc1 ZINC000033258702 570864916 /nfs/dbraw/zinc/86/49/16/570864916.db2.gz XKRZIOBCQDGKDW-UHFFFAOYSA-N 0 0 387.487 5.238 50 0 GKAARN Cc1ccc(-c2noc([C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1F ZINC000170606718 570865190 /nfs/dbraw/zinc/86/51/90/570865190.db2.gz QJCNJDJOCAIMIT-GUYCJALGSA-N 0 0 376.790 5.222 50 0 GKAARN C[C@@H](Nc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1)c1ccccc1 ZINC000170607948 570865197 /nfs/dbraw/zinc/86/51/97/570865197.db2.gz FGBWARFNLJHKCO-CQSZACIVSA-N 0 0 380.517 5.261 50 0 GKAARN C[C@H](Nc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1)c1ccccc1 ZINC000170607947 570865241 /nfs/dbraw/zinc/86/52/41/570865241.db2.gz FGBWARFNLJHKCO-AWEZNQCLSA-N 0 0 380.517 5.261 50 0 GKAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCc2ccccc2)cc1 ZINC000004725094 570865400 /nfs/dbraw/zinc/86/54/00/570865400.db2.gz XCAMGLAQFSZEFP-DEOSSOPVSA-N 0 0 384.479 5.006 50 0 GKAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)N4CCC(C)CC4)c3)ncn2)c1 ZINC000033260922 570865935 /nfs/dbraw/zinc/86/59/35/570865935.db2.gz FTXPPJNTUAYVAA-UHFFFAOYSA-N 0 0 386.499 5.068 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000033261335 570865945 /nfs/dbraw/zinc/86/59/45/570865945.db2.gz JJHRYJJCRXPXPM-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN COc1cccc(NC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)c1 ZINC000033261337 570865964 /nfs/dbraw/zinc/86/59/64/570865964.db2.gz ZCQFKTAANQHRPR-UHFFFAOYSA-N 0 0 396.450 5.148 50 0 GKAARN COc1cccc(CN(C)C(=O)c2ccc3nc(C4CCCCC4)oc3c2)c1 ZINC000014955394 570866280 /nfs/dbraw/zinc/86/62/80/570866280.db2.gz LOVAQGWPXXIKNM-UHFFFAOYSA-N 0 0 378.472 5.156 50 0 GKAARN Cc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 ZINC000003423049 570866551 /nfs/dbraw/zinc/86/65/51/570866551.db2.gz DQHCFRHZBSUHSE-UHFFFAOYSA-N 0 0 375.906 5.045 50 0 GKAARN Cc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000033261125 570866519 /nfs/dbraw/zinc/86/65/19/570866519.db2.gz LZSGPZIYWDBLJF-UHFFFAOYSA-N 0 0 394.478 5.126 50 0 GKAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)Nc4ccccc4)cc3)ncn2)c1 ZINC000033261156 570867259 /nfs/dbraw/zinc/86/72/59/570867259.db2.gz CUNYRPMKMVNNBF-UHFFFAOYSA-N 0 0 380.451 5.448 50 0 GKAARN CCCCN(CC)C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261197 570867663 /nfs/dbraw/zinc/86/76/63/570867663.db2.gz SKACDUMCAQDEIY-UHFFFAOYSA-N 0 0 392.478 5.289 50 0 GKAARN COc1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102857755 570868396 /nfs/dbraw/zinc/86/83/96/570868396.db2.gz RPAKQFABUJKIMX-HSZRJFAPSA-N 0 0 383.491 6.699 50 0 GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl ZINC000102859127 570868466 /nfs/dbraw/zinc/86/84/66/570868466.db2.gz 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ZINC000102877955 570870097 /nfs/dbraw/zinc/87/00/97/570870097.db2.gz DJSDFKHSKGTAJW-FQEVSTJZSA-N 0 0 387.310 6.865 50 0 GKAARN Cc1noc(-c2cc(Cl)ccc2OCc2coc(-c3cccc(F)c3)n2)n1 ZINC000170613158 570870509 /nfs/dbraw/zinc/87/05/09/570870509.db2.gz VJIGDEVVQGJCPO-UHFFFAOYSA-N 0 0 385.782 5.072 50 0 GKAARN Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000102882700 570870604 /nfs/dbraw/zinc/87/06/04/570870604.db2.gz YVNNUGDMUBDCHJ-RXFWQSSRSA-N 0 0 380.491 6.624 50 0 GKAARN COc1cccc2c(C)c(C(=O)Nc3ccc(OC(F)F)c4ncccc34)oc21 ZINC000170613552 570871819 /nfs/dbraw/zinc/87/18/19/570871819.db2.gz PCONAPZDZUFNBU-UHFFFAOYSA-N 0 0 398.365 5.152 50 0 GKAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1OC ZINC000015016864 570871793 /nfs/dbraw/zinc/87/17/93/570871793.db2.gz GRUYKWVAELKVOY-VGSWGCGISA-N 0 0 392.480 5.008 50 0 GKAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1C ZINC000015016752 570871856 /nfs/dbraw/zinc/87/18/56/570871856.db2.gz GXLCOBJUJMRHDX-XMSQKQJNSA-N 0 0 376.481 5.307 50 0 GKAARN COc1cccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1OC ZINC000170614176 570872186 /nfs/dbraw/zinc/87/21/86/570872186.db2.gz YTQUGQGYRJGERM-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN CCOc1ccc([C@@H]2Nc3ccc(CC)cc3[C@H]3OCCC[C@@H]23)cc1OCC ZINC000015018056 570872367 /nfs/dbraw/zinc/87/23/67/570872367.db2.gz VSIWDNJEOBRANQ-NWVWQQAFSA-N 0 0 381.516 5.681 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000024461084 570872536 /nfs/dbraw/zinc/87/25/36/570872536.db2.gz YDRKXRBXDRWAHZ-UHFFFAOYSA-N 0 0 395.509 5.011 50 0 GKAARN CCCOc1ccc(-c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2)cc1 ZINC000004551328 570873672 /nfs/dbraw/zinc/87/36/72/570873672.db2.gz YTMMMNJNCAFHOZ-UHFFFAOYSA-N 0 0 390.870 6.513 50 0 GKAARN CC(C)c1ncc(Cl)c(C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)n1 ZINC000170616400 570873738 /nfs/dbraw/zinc/87/37/38/570873738.db2.gz MFJDLGLSNQHXLA-JTQLQIEISA-N 0 0 386.710 5.094 50 0 GKAARN CCN(CC)C1=Nc2ccccc2Oc2ccc(NC(=O)c3ccccc3)cc21 ZINC000103041928 570874345 /nfs/dbraw/zinc/87/43/45/570874345.db2.gz ZXNMJRQKVDKHDY-UHFFFAOYSA-N 0 0 385.467 5.465 50 0 GKAARN FC(F)(F)c1nc(Cl)ccc1CNc1ccccc1OCc1cscn1 ZINC000170616072 570874585 /nfs/dbraw/zinc/87/45/85/570874585.db2.gz XXWJGZHFBIOHPG-UHFFFAOYSA-N 0 0 399.825 5.401 50 0 GKAARN CCC(=O)N(Cc1cc2ccc(C)cc2nc1-c1cccs1)C[C@@H]1CCCO1 ZINC000015068887 570876244 /nfs/dbraw/zinc/87/62/44/570876244.db2.gz ZKBNKVPAGDQMAQ-IBGZPJMESA-N 0 0 394.540 5.189 50 0 GKAARN CCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000007543419 570877645 /nfs/dbraw/zinc/87/76/45/570877645.db2.gz SQIYBUVJDTZEBA-HXUWFJFHSA-N 0 0 389.543 5.700 50 0 GKAARN Cc1cccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000007544778 570877727 /nfs/dbraw/zinc/87/77/27/570877727.db2.gz QWTLVSQMASEJMX-IBGZPJMESA-N 0 0 399.469 5.053 50 0 GKAARN CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O ZINC000007543449 570877745 /nfs/dbraw/zinc/87/77/45/570877745.db2.gz ZLCSNSBLVTVQSH-IBGZPJMESA-N 0 0 375.516 5.165 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000170620447 570878035 /nfs/dbraw/zinc/87/80/35/570878035.db2.gz GNJNEDJWJXHXHZ-UHFFFAOYSA-N 0 0 397.931 5.019 50 0 GKAARN Cc1oc(-c2cccc3ccccc32)nc1CN1CCC[C@H]1c1nccs1 ZINC000015079513 570879401 /nfs/dbraw/zinc/87/94/01/570879401.db2.gz NFZCRVVLIRSDPR-FQEVSTJZSA-N 0 0 375.497 5.597 50 0 GKAARN COc1ccc2c(C)cc(SCc3csc(-c4ccccc4)n3)nc2c1 ZINC000012583230 570879601 /nfs/dbraw/zinc/87/96/01/570879601.db2.gz MVGKDXKCKUSBHX-UHFFFAOYSA-N 0 0 378.522 5.968 50 0 GKAARN COC(=O)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000003647357 570880788 /nfs/dbraw/zinc/88/07/88/570880788.db2.gz KNYFSAKIIHVLSO-KDOFPFPSSA-N 0 0 398.528 5.115 50 0 GKAARN COC(=O)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000003647355 570880875 /nfs/dbraw/zinc/88/08/75/570880875.db2.gz KNYFSAKIIHVLSO-KSSFIOAISA-N 0 0 398.528 5.115 50 0 GKAARN CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 ZINC000015106901 570881035 /nfs/dbraw/zinc/88/10/35/570881035.db2.gz UBYQGQKUABVZBL-ZFWWWQNUSA-N 0 0 383.513 5.102 50 0 GKAARN C[S@@](=O)c1ccc(CNc2ccc(-c3cccc(C(F)(F)F)c3)cn2)cc1 ZINC000159044654 570881135 /nfs/dbraw/zinc/88/11/35/570881135.db2.gz XIERXAGJKSCFEA-MHZLTWQESA-N 0 0 390.430 5.117 50 0 GKAARN CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000003655410 570881286 /nfs/dbraw/zinc/88/12/86/570881286.db2.gz JLVMMBUQWNWFSM-UHFFFAOYSA-N 0 0 385.419 5.315 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc1O ZINC000015106466 570881254 /nfs/dbraw/zinc/88/12/54/570881254.db2.gz YFPWRQWYFJODAC-ZFWWWQNUSA-N 0 0 385.529 5.087 50 0 GKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000003655306 570881312 /nfs/dbraw/zinc/88/13/12/570881312.db2.gz QCROMOJSDANVJD-UHFFFAOYSA-N 0 0 389.838 5.878 50 0 GKAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)c1 ZINC000003655370 570881316 /nfs/dbraw/zinc/88/13/16/570881316.db2.gz IGOMGZOSEWEJET-UHFFFAOYSA-N 0 0 389.382 5.064 50 0 GKAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(F)cc2)cc1 ZINC000003655365 570881398 /nfs/dbraw/zinc/88/13/98/570881398.db2.gz WXROQZTWPLGBLW-UHFFFAOYSA-N 0 0 389.382 5.064 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003655381 570881403 /nfs/dbraw/zinc/88/14/03/570881403.db2.gz FAVHLLQYJUNRLD-UHFFFAOYSA-N 0 0 393.801 5.709 50 0 GKAARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2C)cc1 ZINC000003655286 570881412 /nfs/dbraw/zinc/88/14/12/570881412.db2.gz FRNRDSRQAXEPMJ-UHFFFAOYSA-N 0 0 399.446 5.298 50 0 GKAARN CSc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 ZINC000103354744 570881508 /nfs/dbraw/zinc/88/15/08/570881508.db2.gz KJTUDFXTDBGLMD-WQRHYEAKSA-N 0 0 384.526 5.131 50 0 GKAARN CCCc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000103334159 570881548 /nfs/dbraw/zinc/88/15/48/570881548.db2.gz XHYAIGOFQMAOAN-VWLOTQADSA-N 0 0 383.516 6.890 50 0 GKAARN COc1cccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 ZINC000004557605 570881575 /nfs/dbraw/zinc/88/15/75/570881575.db2.gz 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/nfs/dbraw/zinc/88/18/96/570881896.db2.gz OUYSLCYYSYVLLH-UHFFFAOYSA-N 0 0 377.340 7.121 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c(C)c1 ZINC000014393242 570882386 /nfs/dbraw/zinc/88/23/86/570882386.db2.gz VEHGOGDATVBTNC-UHFFFAOYSA-N 0 0 378.284 5.381 50 0 GKAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1nc(Cl)ccc1Cl ZINC000014375777 570882460 /nfs/dbraw/zinc/88/24/60/570882460.db2.gz BUILXYLRJKYNLY-UHFFFAOYSA-N 0 0 384.675 5.418 50 0 GKAARN CC(C)(C)C1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(Cl)cc1 ZINC000003670678 570882736 /nfs/dbraw/zinc/88/27/36/570882736.db2.gz IJVZXFNHWZCYIS-UHFFFAOYSA-N 0 0 382.935 6.345 50 0 GKAARN O=C1O[C@@H](c2ccc(Cl)c(Cl)c2)C2(CCCCC2)C(=O)C12CCCCC2 ZINC000003671540 570882775 /nfs/dbraw/zinc/88/27/75/570882775.db2.gz ABTVOJOUPOEQEN-KRWDZBQOSA-N 0 0 395.326 6.061 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(-c3noc(-c4cccc(F)c4)n3)cc12 ZINC000033264711 570883225 /nfs/dbraw/zinc/88/32/25/570883225.db2.gz BJYYJYJWGKUVNG-UHFFFAOYSA-N 0 0 376.416 5.252 50 0 GKAARN CCCCc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1 ZINC000012590832 570883595 /nfs/dbraw/zinc/88/35/95/570883595.db2.gz HKYMFMUYMAVBRW-UHFFFAOYSA-N 0 0 376.884 5.613 50 0 GKAARN CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)NC1CCCC1)CCCC3 ZINC000033265545 570883653 /nfs/dbraw/zinc/88/36/53/570883653.db2.gz JNICCVJLKUIIHI-SFHVURJKSA-N 0 0 383.561 5.337 50 0 GKAARN Cc1ccccc1-n1c(S[C@H](C)c2ccc(F)cc2)nnc1-c1ccncc1 ZINC000012591177 570883745 /nfs/dbraw/zinc/88/37/45/570883745.db2.gz CMXNOXYRUFOJGL-MRXNPFEDSA-N 0 0 390.487 5.630 50 0 GKAARN C[C@H](Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000170626490 570883911 /nfs/dbraw/zinc/88/39/11/570883911.db2.gz IPWRRYWEKSJPFO-LBPRGKRZSA-N 0 0 393.796 6.114 50 0 GKAARN Cc1cc(C)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000003856139 570884477 /nfs/dbraw/zinc/88/44/77/570884477.db2.gz OEMXIVZLLJTTAJ-UHFFFAOYSA-N 0 0 393.899 5.407 50 0 GKAARN Cc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000003832986 570884554 /nfs/dbraw/zinc/88/45/54/570884554.db2.gz BOTSQKOOPFWXQK-UHFFFAOYSA-N 0 0 386.498 7.386 50 0 GKAARN Cc1[nH]c2ccc(CNC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc2c1C ZINC000096999485 570885736 /nfs/dbraw/zinc/88/57/36/570885736.db2.gz JXEYFRNEPKYMRP-HNNXBMFYSA-N 0 0 392.528 5.297 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)C[C@H](C)CC(C)(C)C)C[C@@H](CC)CC2 ZINC000022331380 570886167 /nfs/dbraw/zinc/88/61/67/570886167.db2.gz FDZHRPBDZDXHHC-GJZGRUSLSA-N 0 0 393.593 5.841 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)(C)C)C[C@H](C(C)(C)CC)CC2 ZINC000022333860 570886323 /nfs/dbraw/zinc/88/63/23/570886323.db2.gz NQTIBLOKGWUPTN-CQSZACIVSA-N 0 0 393.593 5.841 50 0 GKAARN CCOC(=O)c1c2c(sc1NC(=O)CCSC)C[C@H](C(C)(C)CC)CC2 ZINC000022334082 570886326 /nfs/dbraw/zinc/88/63/26/570886326.db2.gz GBXZOOWUQHROAW-CYBMUJFWSA-N 0 0 397.606 5.158 50 0 GKAARN Cc1nnc([S@](=O)[C@H](C)c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000097015465 570886597 /nfs/dbraw/zinc/88/65/97/570886597.db2.gz FWNRGJKTDIHMHI-JNDILOIQSA-N 0 0 386.348 5.267 50 0 GKAARN Cc1ccc(CN2CCN(Cc3ccccc3F)[C@H]2c2cccc(Cl)c2)cc1 ZINC000103623723 570887376 /nfs/dbraw/zinc/88/73/76/570887376.db2.gz QTIDLJRLKUBRLB-DEOSSOPVSA-N 0 0 394.921 5.804 50 0 GKAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(-c2ccccc2)nc2sccn21 ZINC000012604425 570888072 /nfs/dbraw/zinc/88/80/72/570888072.db2.gz WAQAHOJYBVVSIJ-ZDUSSCGKSA-N 0 0 397.887 5.122 50 0 GKAARN O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1ccc(-n2cccn2)c(F)c1 ZINC000103768437 570888663 /nfs/dbraw/zinc/88/86/63/570888663.db2.gz BBTZSSNNBBJILH-UHFFFAOYSA-N 0 0 393.368 5.209 50 0 GKAARN CCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)Cl)cc3)nc2)CC1 ZINC000004561937 570889003 /nfs/dbraw/zinc/88/90/03/570889003.db2.gz QKBJLWUVEXELOV-UHFFFAOYSA-N 0 0 393.905 7.381 50 0 GKAARN COc1ccc(C)cc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000033267799 570889499 /nfs/dbraw/zinc/88/94/99/570889499.db2.gz DUNIGYBKNAUBLK-FQEVSTJZSA-N 0 0 399.494 5.439 50 0 GKAARN CCc1ccccc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267722 570889636 /nfs/dbraw/zinc/88/96/36/570889636.db2.gz KHUHSDJWFAYUKT-HXUWFJFHSA-N 0 0 384.483 5.079 50 0 GKAARN CCCC1CCC(C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)CC1 ZINC000004563110 570890186 /nfs/dbraw/zinc/89/01/86/570890186.db2.gz ISLQYJOQOBLCDN-UHFFFAOYSA-N 0 0 393.575 6.079 50 0 GKAARN CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C ZINC000103927024 570890341 /nfs/dbraw/zinc/89/03/41/570890341.db2.gz YMGVSXCXHPMWMG-UHFFFAOYSA-N 0 0 381.453 5.278 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012612292 570890440 /nfs/dbraw/zinc/89/04/40/570890440.db2.gz JYCICILZKGWFAS-INIZCTEOSA-N 0 0 394.525 5.034 50 0 GKAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)N1CCCC1 ZINC000004564034 570891291 /nfs/dbraw/zinc/89/12/91/570891291.db2.gz JKYCNPHDONJEJD-MRXNPFEDSA-N 0 0 378.497 5.112 50 0 GKAARN CCN(CC(=O)Nc1ccc(C)cc1Br)c1cccc2ccccc21 ZINC000012619168 570891404 /nfs/dbraw/zinc/89/14/04/570891404.db2.gz OAIRKIZYHYASAO-UHFFFAOYSA-N 0 0 397.316 5.376 50 0 GKAARN CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc(C)c(C)c3)C[C@H]21 ZINC000010216190 570892249 /nfs/dbraw/zinc/89/22/49/570892249.db2.gz IMVIJRBHWOGFFB-HYBUGGRVSA-N 0 0 388.467 5.537 50 0 GKAARN COc1ccc([C@H]2CCCN2Cc2csc(-c3ccccc3)n2)c(OC)c1 ZINC000015366876 570892919 /nfs/dbraw/zinc/89/29/19/570892919.db2.gz BASYUUNEBGVGRQ-HXUWFJFHSA-N 0 0 380.513 5.164 50 0 GKAARN COc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000010219177 570892928 /nfs/dbraw/zinc/89/29/28/570892928.db2.gz BDUDVMCBYHMRSD-UHFFFAOYSA-N 0 0 396.946 5.264 50 0 GKAARN O=C(CCCSc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000010219507 570892983 /nfs/dbraw/zinc/89/29/83/570892983.db2.gz VYNSYWABALLKES-SFHVURJKSA-N 0 0 382.554 5.532 50 0 GKAARN CC(=O)N1CCc2cc(NC(=O)c3cc(-c4ccc(F)cc4)c(C)s3)ccc21 ZINC000151463471 570894808 /nfs/dbraw/zinc/89/48/08/570894808.db2.gz GOGGAZCNOLMBPC-UHFFFAOYSA-N 0 0 394.471 5.024 50 0 GKAARN CC(C)C[C@@H](CC(=O)NCCc1ccccn1)c1c[nH]c2ccc(Cl)cc21 ZINC000096276391 570895316 /nfs/dbraw/zinc/89/53/16/570895316.db2.gz IRAWMNNUWLAWRC-INIZCTEOSA-N 0 0 383.923 5.095 50 0 GKAARN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)N=C(Nc1nc3ccccc3s1)N2 ZINC000104089583 570895348 /nfs/dbraw/zinc/89/53/48/570895348.db2.gz GDDZXIRIIBDENR-IBGZPJMESA-N 0 0 392.459 5.395 50 0 GKAARN Cc1nc(CSc2ccccc2C(=O)N[C@H](C)c2ccc(C(C)C)cc2)no1 ZINC000023057340 570895535 /nfs/dbraw/zinc/89/55/35/570895535.db2.gz WHKZSVFLRJQIQK-OAHLLOKOSA-N 0 0 395.528 5.285 50 0 GKAARN Cc1ccccc1Cn1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000013330455 570895546 /nfs/dbraw/zinc/89/55/46/570895546.db2.gz UOFNERQVTGMFKC-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000009212319 570895610 /nfs/dbraw/zinc/89/56/10/570895610.db2.gz UOACKFBJUYNSLK-OXCVBPRPSA-N 0 0 396.571 6.131 50 0 GKAARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000104112893 570895660 /nfs/dbraw/zinc/89/56/60/570895660.db2.gz OMGXJJPSEWLSSE-QHCPKHFHSA-N 0 0 390.483 5.508 50 0 GKAARN Fc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1Cl ZINC000013330981 570895801 /nfs/dbraw/zinc/89/58/01/570895801.db2.gz YKUCMDPOIWLTAA-UHFFFAOYSA-N 0 0 395.290 5.186 50 0 GKAARN CCCCc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 ZINC000013331270 570896040 /nfs/dbraw/zinc/89/60/40/570896040.db2.gz HKPDHFJGFUEIKL-UHFFFAOYSA-N 0 0 394.494 5.674 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1 ZINC000104150250 570896309 /nfs/dbraw/zinc/89/63/09/570896309.db2.gz RSAIJUQHHLPKPG-IQGLISFBSA-N 0 0 398.462 5.850 50 0 GKAARN Cc1cccc(-c2nc(CCNC(=O)c3cccc(C(F)(F)F)c3)cs2)c1 ZINC000004570822 570896432 /nfs/dbraw/zinc/89/64/32/570896432.db2.gz AHHHXLWKABWOTH-UHFFFAOYSA-N 0 0 390.430 5.110 50 0 GKAARN Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004550953 570896775 /nfs/dbraw/zinc/89/67/75/570896775.db2.gz XQPVVUGQLNSUPL-ZDUSSCGKSA-N 0 0 377.315 6.626 50 0 GKAARN Cc1ccccc1NC(=S)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000013479174 570898010 /nfs/dbraw/zinc/89/80/10/570898010.db2.gz PUDYQKWZPJEYPD-OAQYLSRUSA-N 0 0 386.948 5.316 50 0 GKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000004571522 570898712 /nfs/dbraw/zinc/89/87/12/570898712.db2.gz FEVXJGZYLKTWAK-WLRWDXFRSA-N 0 0 398.915 6.215 50 0 GKAARN CCN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1cccnc1 ZINC000104401833 570900524 /nfs/dbraw/zinc/90/05/24/570900524.db2.gz JTUJPQHFQKJIOV-UHFFFAOYSA-N 0 0 378.284 5.179 50 0 GKAARN COc1cccc(C(=O)Nc2ccc(/C=C/c3nc4ccccc4s3)cc2)c1 ZINC000005720992 570903583 /nfs/dbraw/zinc/90/35/83/570903583.db2.gz VVGYASKNUAQPKO-SDNWHVSQSA-N 0 0 386.476 5.728 50 0 GKAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000014207266 570903744 /nfs/dbraw/zinc/90/37/44/570903744.db2.gz DEUFCMPZMICXMH-UHFFFAOYSA-N 0 0 379.218 5.359 50 0 GKAARN CC(C)C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1Cc2ccccc2C1=O ZINC000005727192 570904599 /nfs/dbraw/zinc/90/45/99/570904599.db2.gz HXVSFUMPKMDZBC-GOSISDBHSA-N 0 0 391.298 5.003 50 0 GKAARN CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000014375681 570905060 /nfs/dbraw/zinc/90/50/60/570905060.db2.gz KCXRXFBLVZFNOA-UHFFFAOYSA-N 0 0 395.336 6.091 50 0 GKAARN O=C(CCCOc1ccc(F)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032906398 570905119 /nfs/dbraw/zinc/90/51/19/570905119.db2.gz OUYSBJYRRRPMIO-LJQANCHMSA-N 0 0 398.503 5.348 50 0 GKAARN Cc1csc(SCc2ccccc2C(=O)Nc2cccc3cccnc32)n1 ZINC000014516505 570905696 /nfs/dbraw/zinc/90/56/96/570905696.db2.gz ZMKTZUSWIXTUKD-UHFFFAOYSA-N 0 0 391.521 5.544 50 0 GKAARN O=C(Nc1cccnc1)c1ccccc1CSc1nc2ccccc2s1 ZINC000032906943 570905869 /nfs/dbraw/zinc/90/58/69/570905869.db2.gz FFWAAEQZWQFKST-UHFFFAOYSA-N 0 0 377.494 5.236 50 0 GKAARN O=C(Nc1cccc2ccccc21)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000015838264 570905872 /nfs/dbraw/zinc/90/58/72/570905872.db2.gz NICFFOIHBOUXQD-DEOSSOPVSA-N 0 0 393.442 5.546 50 0 GKAARN Cc1ccc(-c2nc(CNC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1 ZINC000015832605 570905991 /nfs/dbraw/zinc/90/59/91/570905991.db2.gz UUMBLLMKAHWJGJ-UHFFFAOYSA-N 0 0 398.531 5.567 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000015834048 570906045 /nfs/dbraw/zinc/90/60/45/570906045.db2.gz SNXYUDPAFOOWCR-QGZVFWFLSA-N 0 0 387.483 5.254 50 0 GKAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 ZINC000015840797 570906286 /nfs/dbraw/zinc/90/62/86/570906286.db2.gz KBDJBWPFTTVYCR-OAHLLOKOSA-N 0 0 398.890 5.310 50 0 GKAARN CCCCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12 ZINC000015841153 570906694 /nfs/dbraw/zinc/90/66/94/570906694.db2.gz ZGSXUXVCKMNZFO-UHFFFAOYSA-N 0 0 392.499 5.555 50 0 GKAARN Cc1ccsc1CN(CC(C)C)C(=O)c1cccc(-c2ccc(O)cn2)c1 ZINC000534592813 570907022 /nfs/dbraw/zinc/90/70/22/570907022.db2.gz PUCMJDWQPGSHRI-UHFFFAOYSA-N 0 0 380.513 5.123 50 0 GKAARN O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000051315826 570907187 /nfs/dbraw/zinc/90/71/87/570907187.db2.gz IHPAIIHWEMASSD-UHFFFAOYSA-N 0 0 395.506 5.325 50 0 GKAARN Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCC2)o1 ZINC000015860419 570907300 /nfs/dbraw/zinc/90/73/00/570907300.db2.gz YRBZDJCRAVPZCO-LJQANCHMSA-N 0 0 394.515 5.216 50 0 GKAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC(C)C ZINC000004027708 570907469 /nfs/dbraw/zinc/90/74/69/570907469.db2.gz RAOWACRBWYUOIY-CPLSZTBBSA-N 0 0 393.612 5.192 50 0 biogenic GKAARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1 ZINC000016711389 570907877 /nfs/dbraw/zinc/90/78/77/570907877.db2.gz SUVZYWDSHWMPKT-FLFQWRMESA-N 0 0 377.900 5.546 50 0 GKAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000012625532 570907968 /nfs/dbraw/zinc/90/79/68/570907968.db2.gz VKIVSVWBRDFQQR-KRWDZBQOSA-N 0 0 376.287 5.387 50 0 GKAARN COc1cc(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)ccc1OC(C)C ZINC000089652177 570908293 /nfs/dbraw/zinc/90/82/93/570908293.db2.gz RXDSZMRFAYEXHE-UHFFFAOYSA-N 0 0 380.444 5.007 50 0 GKAARN Cc1c(C(=O)N[C@@H](C)c2cc3ccccc3o2)sc2nc(C3CC3)nc(C)c12 ZINC000032908098 570908632 /nfs/dbraw/zinc/90/86/32/570908632.db2.gz GKSHFVHVNWIFPX-LBPRGKRZSA-N 0 0 391.496 5.423 50 0 GKAARN Cc1noc([C@@H](NCc2cc(C)c(OCc3ccccc3C)c(C)c2)C(C)C)n1 ZINC000089690411 570909718 /nfs/dbraw/zinc/90/97/18/570909718.db2.gz DQHIXBZMHIHFFX-QFIPXVFZSA-N 0 0 393.531 5.369 50 0 GKAARN Cn1c2ccccc2c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1-c1ccccc1 ZINC000089749580 570911181 /nfs/dbraw/zinc/91/11/81/570911181.db2.gz KLPMCXBMZCKXNB-MRXNPFEDSA-N 0 0 386.417 5.260 50 0 GKAARN Cc1ccc(C)c(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)c1 ZINC000004496594 570912347 /nfs/dbraw/zinc/91/23/47/570912347.db2.gz RZGIBTJZBCGURL-UHFFFAOYSA-N 0 0 387.892 5.128 50 0 GKAARN Cc1ccc(Sc2ccc(NC(=O)CSc3ccccn3)cc2)cc1C ZINC000032910057 570912705 /nfs/dbraw/zinc/91/27/05/570912705.db2.gz JDWJFMVTUVNIFW-UHFFFAOYSA-N 0 0 380.538 5.580 50 0 GKAARN CCN(CC)C(=S)S[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000032910078 570912746 /nfs/dbraw/zinc/91/27/46/570912746.db2.gz YQTSIILHSZLCJJ-OAHLLOKOSA-N 0 0 388.558 5.166 50 0 GKAARN Cc1ccc(C)c(C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)c1 ZINC000032910150 570912934 /nfs/dbraw/zinc/91/29/34/570912934.db2.gz 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CCCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000002082283 570934671 /nfs/dbraw/zinc/93/46/71/570934671.db2.gz PUFFNWACWBVUAY-HKWRFOASSA-N 0 0 391.467 5.034 50 0 GKAARN COC(=O)c1c(NCc2cccc(Cl)c2)onc1-c1cccc(Cl)c1 ZINC000046914548 570936982 /nfs/dbraw/zinc/93/69/82/570936982.db2.gz XCDAZKRXHVDHBM-UHFFFAOYSA-N 0 0 377.227 5.047 50 0 GKAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000046916100 570937049 /nfs/dbraw/zinc/93/70/49/570937049.db2.gz QUVHHTXNYOVCKD-UHFFFAOYSA-N 0 0 380.753 5.575 50 0 GKAARN Cc1cccc(COc2ccccc2/C=C2/N=C(c3ccccc3F)OC2=O)c1 ZINC000002084252 570937087 /nfs/dbraw/zinc/93/70/87/570937087.db2.gz MIFVZSOKORNQAO-KGENOOAVSA-N 0 0 387.410 5.058 50 0 GKAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000006230543 570937095 /nfs/dbraw/zinc/93/70/95/570937095.db2.gz FRZRVBXZLHFDTA-JTHBVZDNSA-N 0 0 390.870 5.591 50 0 GKAARN Brc1ccc2nc(NCc3coc(-c4cccs4)n3)ccc2c1 ZINC000170637083 570937491 /nfs/dbraw/zinc/93/74/91/570937491.db2.gz YZZZKGKTVGJNNM-UHFFFAOYSA-N 0 0 386.274 5.326 50 0 GKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccc(Cl)cc3)n2)cc1 ZINC000017077871 570939603 /nfs/dbraw/zinc/93/96/03/570939603.db2.gz ZEKFIQVGZPGLJV-UHFFFAOYSA-N 0 0 380.825 6.197 50 0 GKAARN S=C1N=NC(CSCc2ccccc2)N1c1ccc(Cl)cc1Cl ZINC000017078052 570939631 /nfs/dbraw/zinc/93/96/31/570939631.db2.gz NOEGCHISYYZWGR-UHFFFAOYSA-N 0 0 382.341 5.296 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3cc(C)ccc3n2)s1 ZINC000017078542 570939961 /nfs/dbraw/zinc/93/99/61/570939961.db2.gz YCIRMSYZULIXKZ-UHFFFAOYSA-N 0 0 384.504 5.783 50 0 GKAARN O=C(Nc1ccccn1)c1cc(-c2ccccc2Cl)nc2c(Cl)cccc12 ZINC000017080510 570940822 /nfs/dbraw/zinc/94/08/22/570940822.db2.gz BAUNZYQIKAGUIE-UHFFFAOYSA-N 0 0 394.261 5.856 50 0 GKAARN CC(C)[C@@H](CCN(C[C@@H]1CCOC(C)(C)C1)C(=O)c1ccco1)c1ccco1 ZINC000002094196 570940933 /nfs/dbraw/zinc/94/09/33/570940933.db2.gz HRBJKSOWVORBJP-RTBURBONSA-N 0 0 387.520 5.350 50 0 biogenic GKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccccc4F)c(C)c3cc2c1C ZINC000002094074 570940999 /nfs/dbraw/zinc/94/09/99/570940999.db2.gz UWKRMBXXUDBIGZ-UHFFFAOYSA-N 0 0 393.414 5.175 50 0 biogenic GKAARN CCCCOC(=O)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000017080993 570941381 /nfs/dbraw/zinc/94/13/81/570941381.db2.gz VYPACZKZFDFIRD-UHFFFAOYSA-N 0 0 396.434 5.471 50 0 GKAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2F)cc1 ZINC000017130820 570941746 /nfs/dbraw/zinc/94/17/46/570941746.db2.gz NFQVSZKMNHIPBK-BZZOAKBMSA-N 0 0 388.398 5.065 50 0 GKAARN O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccccc2Cl)CC1 ZINC000017119261 570941750 /nfs/dbraw/zinc/94/17/50/570941750.db2.gz PQSUNDIWXGXURG-UHFFFAOYSA-N 0 0 392.886 5.095 50 0 GKAARN Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c(C)c1 ZINC000002096328 570941751 /nfs/dbraw/zinc/94/17/51/570941751.db2.gz IOEIELYGMYULNU-UHFFFAOYSA-N 0 0 399.446 5.094 50 0 biogenic GKAARN C[C@@H]1C[C@]2(c3ccccc3)[C@@H](Oc3ccccc3)C(=O)N2c2ccccc2S1 ZINC000017154299 570942140 /nfs/dbraw/zinc/94/21/40/570942140.db2.gz WVAUFQFPHJUORV-UWSIMGETSA-N 0 0 387.504 5.261 50 0 GKAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)Nc1ccc(Cl)cc1Cl ZINC000017147733 570942362 /nfs/dbraw/zinc/94/23/62/570942362.db2.gz PKKXZUROOFXUJY-UHFFFAOYSA-N 0 0 399.690 5.809 50 0 GKAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC[C@@H]1c1ccsc1 ZINC000047166082 570944933 /nfs/dbraw/zinc/94/49/33/570944933.db2.gz YCVHJRUJKGQQGO-QGZVFWFLSA-N 0 0 388.945 5.431 50 0 GKAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(Cl)cc1 ZINC000000637873 570946679 /nfs/dbraw/zinc/94/66/79/570946679.db2.gz HCIDDLBWQRQQRZ-UHFFFAOYSA-N 0 0 397.714 5.946 50 0 GKAARN O=C(Nc1cccnc1Oc1ccccc1)c1cc(F)ccc1Br ZINC000036759607 570946932 /nfs/dbraw/zinc/94/69/32/570946932.db2.gz NMIYVOSPTGYGFF-UHFFFAOYSA-N 0 0 387.208 5.028 50 0 GKAARN C[C@@H]1CCc2sc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)cc2C1 ZINC000036759458 570946978 /nfs/dbraw/zinc/94/69/78/570946978.db2.gz ORZWIMDFOCAEPA-LLVKDONJSA-N 0 0 382.451 5.210 50 0 GKAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000002368807 570947136 /nfs/dbraw/zinc/94/71/36/570947136.db2.gz KHRLIRGWWBCFOR-UHFFFAOYSA-N 0 0 392.911 5.640 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000002259908 570947184 /nfs/dbraw/zinc/94/71/84/570947184.db2.gz XRUYIZMECFESHS-UHFFFAOYSA-N 0 0 392.911 5.640 50 0 GKAARN Cc1ccc(-n2c(COc3ccccc3-c3ccccc3)nc3ccccc32)cc1 ZINC000012659225 570947968 /nfs/dbraw/zinc/94/79/68/570947968.db2.gz NDMSGSCIUYHSKN-UHFFFAOYSA-N 0 0 390.486 6.580 50 0 GKAARN Cc1ccccc1Nc1c(-c2c(F)cccc2Cl)nc2ccc(Cl)cn21 ZINC000004733826 570948088 /nfs/dbraw/zinc/94/80/88/570948088.db2.gz MWMFVTZVMYKIJJ-UHFFFAOYSA-N 0 0 386.257 6.499 50 0 GKAARN Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004733708 570948303 /nfs/dbraw/zinc/94/83/03/570948303.db2.gz QXTRMNGALGHQBK-UHFFFAOYSA-N 0 0 397.887 5.539 50 0 GKAARN CC(C)c1ccc(Nc2c(-c3c(O)ccc4ccccc43)nc3ncccn32)cc1 ZINC000004735151 570948326 /nfs/dbraw/zinc/94/83/26/570948326.db2.gz KZYAOHHFRONNAW-UHFFFAOYSA-N 0 0 394.478 6.122 50 0 GKAARN Cc1cc(C)n2c(nc(-c3ccc(Cl)cc3)c2Nc2ccc(Cl)cc2)n1 ZINC000004733993 570948531 /nfs/dbraw/zinc/94/85/31/570948531.db2.gz SKCMPQBTBKXDLV-UHFFFAOYSA-N 0 0 383.282 6.064 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004735077 570948993 /nfs/dbraw/zinc/94/89/93/570948993.db2.gz HNVIKPMFQUKTAA-UHFFFAOYSA-N 0 0 377.831 5.435 50 0 GKAARN Clc1ccc(Nc2c(-c3ccccc3Cl)nc3ccc(Cl)cn32)cc1 ZINC000004733548 570949420 /nfs/dbraw/zinc/94/94/20/570949420.db2.gz KFIMCEDQTOWVCT-UHFFFAOYSA-N 0 0 388.685 6.705 50 0 GKAARN Clc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1 ZINC000004733584 570949488 /nfs/dbraw/zinc/94/94/88/570949488.db2.gz DLXMFWDTGFCJGY-UHFFFAOYSA-N 0 0 383.860 5.231 50 0 aggregator GKAARN Cc1ccc(CC(=O)Nc2sccc2-c2nc3ccccc3s2)cc1C ZINC000013963056 570949544 /nfs/dbraw/zinc/94/95/44/570949544.db2.gz XTGZZELUXPIEQS-UHFFFAOYSA-N 0 0 378.522 5.823 50 0 GKAARN COc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000018113943 570950441 /nfs/dbraw/zinc/95/04/41/570950441.db2.gz GTBPPBFHXUIAJN-XDOYNYLZSA-N 0 0 382.554 5.995 50 0 GKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001258775 570950532 /nfs/dbraw/zinc/95/05/32/570950532.db2.gz OCWBABGNTTZRCB-BJMVGYQFSA-N 0 0 375.815 5.195 50 0 GKAARN Cn1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c2ccccc21 ZINC000004107130 570951104 /nfs/dbraw/zinc/95/11/04/570951104.db2.gz WHXNQHWKACLIJK-XCLFUZPHSA-N 0 0 393.556 5.245 50 0 GKAARN COc1ccc(C(=O)NCC23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 ZINC000018192128 570951270 /nfs/dbraw/zinc/95/12/70/570951270.db2.gz OELLBUXSDFHVMT-ADXLDGDMSA-N 0 0 389.539 5.272 50 0 GKAARN Cc1c(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cnn1C ZINC000020603177 570951528 /nfs/dbraw/zinc/95/15/28/570951528.db2.gz GVDLSIBNXROOSI-UHFFFAOYSA-N 0 0 399.420 5.330 50 0 GKAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c1c(C)nn2C(C)C ZINC000020602611 570951575 /nfs/dbraw/zinc/95/15/75/570951575.db2.gz WTCKHQJDYICTSE-UHFFFAOYSA-N 0 0 378.259 5.081 50 0 GKAARN O=C(Cn1c2ccc3ccccc3c2nc1Nc1ccccc1)Nc1ccccc1 ZINC000001271877 570951861 /nfs/dbraw/zinc/95/18/61/570951861.db2.gz HAUKQQIDRRAETJ-UHFFFAOYSA-N 0 0 392.462 5.572 50 0 GKAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000018241611 570952106 /nfs/dbraw/zinc/95/21/06/570952106.db2.gz YBEAERJOJXAIOT-HOTGVXAUSA-N 0 0 390.266 5.465 50 0 GKAARN CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1ccc(C)cc1 ZINC000033278192 570952648 /nfs/dbraw/zinc/95/26/48/570952648.db2.gz GMGCGKGEEFOJQN-UHFFFAOYSA-N 0 0 392.549 5.746 50 0 GKAARN Cc1ccc(C)c(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 ZINC000002117595 570952925 /nfs/dbraw/zinc/95/29/25/570952925.db2.gz JLHOEMAILVFYDM-UHFFFAOYSA-N 0 0 383.447 5.433 50 0 biogenic GKAARN CC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(F)cc4)N=C3C)o2)c1 ZINC000001004192 570953567 /nfs/dbraw/zinc/95/35/67/570953567.db2.gz BZSMIGSIWUKDDE-BKUYFWCQSA-N 0 0 388.398 5.094 50 0 GKAARN Cc1ccc(C)c(C(=O)CSc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000032937960 570953579 /nfs/dbraw/zinc/95/35/79/570953579.db2.gz ATDCGJLTSQMYBT-UHFFFAOYSA-N 0 0 384.504 5.889 50 0 GKAARN Cc1[nH]c2c(sc(C)c2C(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000033280489 570954411 /nfs/dbraw/zinc/95/44/11/570954411.db2.gz MSCRRSLCGDBEES-UHFFFAOYSA-N 0 0 377.307 5.478 50 0 GKAARN O=P(Nc1ccccc1)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000003161255 570954782 /nfs/dbraw/zinc/95/47/82/570954782.db2.gz NUQHGKLWLQJETK-UHFFFAOYSA-N 0 0 375.834 6.032 50 0 GKAARN Cn1c2ccccc2c2c1C[C@H]1CC[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]3[C@]1(C)C2 ZINC000252426663 570955015 /nfs/dbraw/zinc/95/50/15/570955015.db2.gz JNRQIXNKBLHYOI-RNSUTHEXSA-N 0 0 375.556 5.705 50 0 GKAARN CCN1c2ccccc2N[C@@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@H]21 ZINC000252427027 570955077 /nfs/dbraw/zinc/95/50/77/570955077.db2.gz RSIONSCWANFRLG-WUEBJWAZSA-N 0 0 398.547 5.085 50 0 GKAARN Cc1cccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c1 ZINC000003217957 570955193 /nfs/dbraw/zinc/95/51/93/570955193.db2.gz XXSYORSVZZIKKZ-RCCKNPSSSA-N 0 0 379.406 5.776 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)c(C)c1)CO3 ZINC000002120444 570955940 /nfs/dbraw/zinc/95/59/40/570955940.db2.gz VYLMDKXUWXBFNB-UHFFFAOYSA-N 0 0 377.484 5.417 50 0 biogenic GKAARN CCCCc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1 ZINC000002120700 570955969 /nfs/dbraw/zinc/95/59/69/570955969.db2.gz IEKQQSHBUSQDAY-UHFFFAOYSA-N 0 0 389.495 5.289 50 0 biogenic GKAARN Cc1cc(C)nc(Oc2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)n1 ZINC000012032662 570956146 /nfs/dbraw/zinc/95/61/46/570956146.db2.gz KFHVIHJDINUCRQ-UHFFFAOYSA-N 0 0 388.254 5.445 50 0 GKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc([C@@H](C)CC)cc1)CO3 ZINC000002121844 570956378 /nfs/dbraw/zinc/95/63/78/570956378.db2.gz MNRWXBMAKUOPIJ-HNNXBMFYSA-N 0 0 377.484 5.534 50 0 biogenic GKAARN Cc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc1C ZINC000033288968 570956421 /nfs/dbraw/zinc/95/64/21/570956421.db2.gz POQISGMQNRUCMU-UHFFFAOYSA-N 0 0 395.553 5.284 50 0 GKAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(F)cc1)CO2 ZINC000002122377 570956750 /nfs/dbraw/zinc/95/67/50/570956750.db2.gz XFEHMPGXVNYVGK-UHFFFAOYSA-N 0 0 387.410 5.264 50 0 biogenic GKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)N[C@H](C)CCc1ccccc1 ZINC000033282161 570957348 /nfs/dbraw/zinc/95/73/48/570957348.db2.gz SJVGMBUBACBORF-MRXNPFEDSA-N 0 0 389.520 6.221 50 0 GKAARN CCCCOc1ccccc1C(C)=Nc1nc(-c2ccc(OC)cc2)ns1 ZINC000012062958 570957677 /nfs/dbraw/zinc/95/76/77/570957677.db2.gz QJAPZHVTMIUICV-UHFFFAOYSA-N 0 0 381.501 5.475 50 0 GKAARN Clc1ccc(-c2noc(-c3cc(N4CCCC4)nc4ccccc43)n2)cc1 ZINC000033282535 570957721 /nfs/dbraw/zinc/95/77/21/570957721.db2.gz JQTZHECNGRHBNF-UHFFFAOYSA-N 0 0 376.847 5.205 50 0 GKAARN CCc1ccc(CNC(=O)c2c(C)sc3cc(-c4ccccc4)oc32)cc1 ZINC000033282187 570957769 /nfs/dbraw/zinc/95/77/69/570957769.db2.gz JSRKTBAECSIIBP-UHFFFAOYSA-N 0 0 375.493 5.962 50 0 GKAARN CC(=O)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1ccc(OC(C)C)cc1 ZINC000002126633 570957997 /nfs/dbraw/zinc/95/79/97/570957997.db2.gz HGLHSNKQTBUZJE-XMMPIXPASA-N 0 0 391.511 5.638 50 0 biogenic GKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000004746930 570958131 /nfs/dbraw/zinc/95/81/31/570958131.db2.gz OIUUSVHCPWJHJC-UHFFFAOYSA-N 0 0 384.545 5.114 50 0 GKAARN Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc32)cc1C ZINC000001322463 570958136 /nfs/dbraw/zinc/95/81/36/570958136.db2.gz UVKVPQYHJKKTTD-LKUDQCMESA-N 0 0 385.419 5.383 50 0 biogenic GKAARN CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 ZINC000001321836 570958252 /nfs/dbraw/zinc/95/82/52/570958252.db2.gz UZNXTLRSJCKVOK-RUZDIDTESA-N 0 0 391.511 5.638 50 0 biogenic GKAARN CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CC[C@H](C)C2 ZINC000012080516 570958584 /nfs/dbraw/zinc/95/85/84/570958584.db2.gz SOAUAEBIWWBAFS-LBPRGKRZSA-N 0 0 397.496 5.357 50 0 GKAARN O=[N+]([O-])c1ccc(Cl)c(C=NNc2nc(Cl)c(Cl)cc2Cl)c1 ZINC000252457615 570959086 /nfs/dbraw/zinc/95/90/86/570959086.db2.gz WYDAVCILNURGLB-UHFFFAOYSA-N 0 0 380.018 5.049 50 0 GKAARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033290985 570959133 /nfs/dbraw/zinc/95/91/33/570959133.db2.gz UXAIHWATTMJWFN-WAPJZHGLSA-N 0 0 395.717 5.009 50 0 GKAARN COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004743590 570959529 /nfs/dbraw/zinc/95/95/29/570959529.db2.gz FDBKFGMCMXFUDF-NZQKXSOJSA-N 0 0 390.870 5.591 50 0 GKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004743593 570959626 /nfs/dbraw/zinc/95/96/26/570959626.db2.gz FDBKFGMCMXFUDF-REWPJTCUSA-N 0 0 390.870 5.591 50 0 GKAARN C[C@](CC(=O)Nc1nccs1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032103935 570960465 /nfs/dbraw/zinc/96/04/65/570960465.db2.gz OLPGFWDIRNLYCD-QGZVFWFLSA-N 0 0 396.459 5.558 50 0 GKAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)Nc1ccccc1F ZINC000033290125 570960739 /nfs/dbraw/zinc/96/07/39/570960739.db2.gz CSLSCIAJKZIXAQ-UHFFFAOYSA-N 0 0 396.534 5.243 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1nc2ccccc2s1 ZINC000004134633 570961638 /nfs/dbraw/zinc/96/16/38/570961638.db2.gz XTRNBTYSRSRLHJ-UHFFFAOYSA-N 0 0 387.489 5.825 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)s1 ZINC000004134698 570961678 /nfs/dbraw/zinc/96/16/78/570961678.db2.gz WMYPVKQYSBGLNR-UHFFFAOYSA-N 0 0 398.285 5.306 50 0 GKAARN CSc1nc2ccc3nc(NC(=O)c4cccc(F)c4)sc3c2s1 ZINC000004134751 570961779 /nfs/dbraw/zinc/96/17/79/570961779.db2.gz JWOGGGAXJOJDMT-UHFFFAOYSA-N 0 0 375.475 5.019 50 0 GKAARN CCN(CC)c1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 ZINC000004134713 570961796 /nfs/dbraw/zinc/96/17/96/570961796.db2.gz BFTOLFXGDLWMSW-UHFFFAOYSA-N 0 0 396.541 5.313 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Br)s1 ZINC000004134638 570961810 /nfs/dbraw/zinc/96/18/10/570961810.db2.gz FGEPCZVFJSQBCL-UHFFFAOYSA-N 0 0 399.269 5.571 50 0 GKAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCC3CCCCC3)c2)n1 ZINC000033297822 570961976 /nfs/dbraw/zinc/96/19/76/570961976.db2.gz JAFFDBVPSAUFBI-UHFFFAOYSA-N 0 0 398.619 5.028 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2 ZINC000004134786 570962367 /nfs/dbraw/zinc/96/23/67/570962367.db2.gz GXTMEYKATLUYCT-UHFFFAOYSA-N 0 0 399.556 5.744 50 0 GKAARN Clc1cccc(COc2cccc(-c3nccc4c5ccccc5[nH]c43)c2)c1 ZINC000002133695 570962560 /nfs/dbraw/zinc/96/25/60/570962560.db2.gz OPMAHQFSIYQKBI-UHFFFAOYSA-N 0 0 384.866 6.616 50 0 biogenic GKAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)c(Cl)cc1OC ZINC000033292620 570962904 /nfs/dbraw/zinc/96/29/04/570962904.db2.gz MMBMPHDAQLXGRP-UHFFFAOYSA-N 0 0 399.878 5.219 50 0 GKAARN CCSc1nc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000033298869 570962949 /nfs/dbraw/zinc/96/29/49/570962949.db2.gz IRHOUVHNBAVFQP-UHFFFAOYSA-N 0 0 398.962 5.004 50 0 GKAARN C[C@@H]1CC[C@@H]2[C@H](O1)c1ccccc1O[C@@]2(C)CC[C@H]1C(C)(C)C1(Cl)Cl ZINC000002139238 570963080 /nfs/dbraw/zinc/96/30/80/570963080.db2.gz QDLLDCYHCZOLDA-AKCOGBPDSA-N 0 0 383.359 6.304 50 0 biogenic GKAARN CCOc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3cccs3)C[C@H]21 ZINC000007596971 570963436 /nfs/dbraw/zinc/96/34/36/570963436.db2.gz DQKFULZDELWALB-IIBYNOLFSA-N 0 0 396.537 5.759 50 0 GKAARN CCN(CC)C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N ZINC000000908427 570963554 /nfs/dbraw/zinc/96/35/54/570963554.db2.gz WNFBFNAOFCXDDM-UHFFFAOYSA-N 0 0 393.434 5.046 50 0 GKAARN O=C(CCCSc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000007597025 570963579 /nfs/dbraw/zinc/96/35/79/570963579.db2.gz WPLYFXOAOAVGRH-UHFFFAOYSA-N 0 0 380.538 5.420 50 0 GKAARN O=C(CCCSc1ccc(F)cc1)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000007597333 570963613 /nfs/dbraw/zinc/96/36/13/570963613.db2.gz VDICUXGGGNGERZ-UHFFFAOYSA-N 0 0 384.501 5.364 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1 ZINC000007598439 570963983 /nfs/dbraw/zinc/96/39/83/570963983.db2.gz BVPGSKWULAYGTC-UHFFFAOYSA-N 0 0 399.425 5.252 50 0 GKAARN COc1ccc(-c2csc(NC(=O)c3ccc(SC(C)C)cc3)n2)cc1 ZINC000007598021 570964399 /nfs/dbraw/zinc/96/43/99/570964399.db2.gz OQLIBARCUHYVDR-UHFFFAOYSA-N 0 0 384.526 5.572 50 0 GKAARN Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2-c2ccccc2C)c1 ZINC000004145416 570964500 /nfs/dbraw/zinc/96/45/00/570964500.db2.gz MURUNHQCMIWUMY-UHFFFAOYSA-N 0 0 375.497 5.745 50 0 GKAARN FC(F)(F)c1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000002147361 570964833 /nfs/dbraw/zinc/96/48/33/570964833.db2.gz OFWYHWURMHRGHW-UHFFFAOYSA-N 0 0 388.414 6.307 50 0 GKAARN O=C(Nc1ccc(Cl)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1 ZINC000033301003 570965692 /nfs/dbraw/zinc/96/56/92/570965692.db2.gz XIOYKLSODUHVES-UHFFFAOYSA-N 0 0 395.912 5.393 50 0 GKAARN CC[C@@H](C)N(C(=O)C(C)(C)C)c1ccc(N(C(=O)C(C)(C)C)[C@H](C)CC)cc1 ZINC000002519831 570965832 /nfs/dbraw/zinc/96/58/32/570965832.db2.gz PILYYPOOKHLGJD-QZTJIDSGSA-N 0 0 388.596 6.042 50 0 GKAARN C[C@@H]1C[C@@H](Sc2nnc(Cc3cccs3)n2C2CCCCC2)C[C@H](C)O1 ZINC000252477038 570965894 /nfs/dbraw/zinc/96/58/94/570965894.db2.gz HDQFNXJKYNXXOT-JLVBRIDZSA-N 0 0 391.606 5.484 50 0 GKAARN O=C(Cc1ccsc1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000208011905 570967258 /nfs/dbraw/zinc/96/72/58/570967258.db2.gz VXBOTWFEQKLRIM-UHFFFAOYSA-N 0 0 394.496 5.859 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)Cc3sc(=S)[nH]c3C)ccc21 ZINC000083840087 570967722 /nfs/dbraw/zinc/96/77/22/570967722.db2.gz ZFFZMUGEDRKJQQ-UHFFFAOYSA-N 0 0 381.526 5.049 50 0 GKAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 ZINC000004757707 570967845 /nfs/dbraw/zinc/96/78/45/570967845.db2.gz WRAJGYGRDXSVCW-UHFFFAOYSA-N 0 0 393.796 5.437 50 0 GKAARN Cc1ccc(CN(C)C(=O)Nc2cccc(COCc3ccco3)c2)cc1F ZINC000252481857 570968034 /nfs/dbraw/zinc/96/80/34/570968034.db2.gz CTYYZBRKFWHXNF-UHFFFAOYSA-N 0 0 382.435 5.108 50 0 GKAARN O=C(NCc1cncc(-c2ccsc2)c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000218809034 570969040 /nfs/dbraw/zinc/96/90/40/570969040.db2.gz SADJJLUEXVPZFO-UHFFFAOYSA-N 0 0 396.943 5.592 50 0 GKAARN Cc1ccc(-c2cnc(CCC(=O)Nc3nc4ccccc4s3)o2)cc1C ZINC000011327739 570969136 /nfs/dbraw/zinc/96/91/36/570969136.db2.gz ZEZAVOKRNBVWRS-UHFFFAOYSA-N 0 0 377.469 5.139 50 0 GKAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc2ccccc2c1 ZINC000012226238 570969395 /nfs/dbraw/zinc/96/93/95/570969395.db2.gz OXYKEYGFHREKAK-UHFFFAOYSA-N 0 0 398.384 5.459 50 0 GKAARN CCC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000106937375 570969557 /nfs/dbraw/zinc/96/95/57/570969557.db2.gz KEKGRYUAMWIIKX-UYAOXDASSA-N 0 0 385.305 5.509 50 0 GKAARN CCC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 ZINC000106937376 570969562 /nfs/dbraw/zinc/96/95/62/570969562.db2.gz KEKGRYUAMWIIKX-QUCCMNQESA-N 0 0 385.305 5.509 50 0 GKAARN Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccncc2)cc1 ZINC000060708749 570970000 /nfs/dbraw/zinc/97/00/00/570970000.db2.gz JNUBRZFTYLLGPF-UHFFFAOYSA-N 0 0 392.915 5.199 50 0 GKAARN O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211142223 570970310 /nfs/dbraw/zinc/97/03/10/570970310.db2.gz KRKQEKWTHVXWIK-GOSISDBHSA-N 0 0 396.339 5.079 50 0 GKAARN Cc1ccc(-c2nsc(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000004167334 570970583 /nfs/dbraw/zinc/97/05/83/570970583.db2.gz HWMFZSHGWAXAFL-UHFFFAOYSA-N 0 0 383.542 5.170 50 0 GKAARN CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12 ZINC000002145376 570970746 /nfs/dbraw/zinc/97/07/46/570970746.db2.gz NDSTVXOEBMXSSL-UHFFFAOYSA-N 0 0 397.268 6.230 50 0 biogenic GKAARN CCCCc1ccc(NC(=O)CSc2nc(-c3ccccc3C)ns2)cc1 ZINC000004167444 570970909 /nfs/dbraw/zinc/97/09/09/570970909.db2.gz HEPREUXOHXQDPE-UHFFFAOYSA-N 0 0 397.569 5.587 50 0 GKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc3c2CCCC3)s1 ZINC000033312237 570971165 /nfs/dbraw/zinc/97/11/65/570971165.db2.gz ZCBYCHFJTZNTBR-UHFFFAOYSA-N 0 0 391.540 5.889 50 0 GKAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000012229075 570972193 /nfs/dbraw/zinc/97/21/93/570972193.db2.gz HZNBNZURYOBCRA-UHFFFAOYSA-N 0 0 377.831 5.412 50 0 GKAARN CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 ZINC000002148338 570972169 /nfs/dbraw/zinc/97/21/69/570972169.db2.gz CNTLOEOVZJJHNG-UHFFFAOYSA-N 0 0 394.470 7.134 50 0 biogenic GKAARN CCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000004767992 570972485 /nfs/dbraw/zinc/97/24/85/570972485.db2.gz ODZWOWPOYCETCW-HXUWFJFHSA-N 0 0 395.890 5.322 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000045941775 570972841 /nfs/dbraw/zinc/97/28/41/570972841.db2.gz VSCORRRIDWHNRF-QHCPKHFHSA-N 0 0 387.454 5.229 50 0 GKAARN CC(C)(C)c1ccc(C2=NC(C)(C)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000045932886 570972865 /nfs/dbraw/zinc/97/28/65/570972865.db2.gz QPLCLDZCXKXNCZ-UHFFFAOYSA-N 0 0 382.504 5.132 50 0 GKAARN Cc1ccc(C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045941911 570972878 /nfs/dbraw/zinc/97/28/78/570972878.db2.gz GLDYJSURHIBQQJ-OAQYLSRUSA-N 0 0 393.845 5.845 50 0 GKAARN O=C1C(=O)N(Cc2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1c1ccccc1 ZINC000045941696 570972893 /nfs/dbraw/zinc/97/28/93/570972893.db2.gz VXRDHLCEYHBSPQ-OAQYLSRUSA-N 0 0 377.390 5.018 50 0 GKAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000045941620 570972894 /nfs/dbraw/zinc/97/28/94/570972894.db2.gz PIOHBZRRNAGOCO-DEOSSOPVSA-N 0 0 399.490 5.365 50 0 GKAARN CCc1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000045942472 570973162 /nfs/dbraw/zinc/97/31/62/570973162.db2.gz FQRBKYYMMYPJNO-XMMPIXPASA-N 0 0 383.491 5.923 50 0 GKAARN COc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000045942533 570973315 /nfs/dbraw/zinc/97/33/15/570973315.db2.gz XSXKISOHLGVWNL-DEOSSOPVSA-N 0 0 399.490 5.876 50 0 GKAARN CC(C)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000002156405 570973481 /nfs/dbraw/zinc/97/34/81/570973481.db2.gz DUCFIYAFYDPVML-UHFFFAOYSA-N 0 0 375.468 5.152 50 0 biogenic GKAARN O=C(NCc1cccc2ccccc21)N1CCS[C@H](c2ccccc2)CC1 ZINC000208043124 570974343 /nfs/dbraw/zinc/97/43/43/570974343.db2.gz OARLHOPBUQPAMV-QFIPXVFZSA-N 0 0 376.525 5.230 50 0 GKAARN O=c1oc2ccccc2c2c1[C@H](c1ccc(F)cc1)c1c(ccc3ccccc31)N2 ZINC000004173625 570974711 /nfs/dbraw/zinc/97/47/11/570974711.db2.gz DCWVEXKAXNCUSA-JOCHJYFZSA-N 0 0 393.417 6.323 50 0 GKAARN COC(=O)c1ccc(F)c(-c2ccc(NC(=O)OCc3ccccc3)cc2)c1 ZINC000085210204 570975464 /nfs/dbraw/zinc/97/54/64/570975464.db2.gz MPOOGJWTNXITSO-UHFFFAOYSA-N 0 0 379.387 5.028 50 0 GKAARN CCc1ccc2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000004503102 570975819 /nfs/dbraw/zinc/97/58/19/570975819.db2.gz DCYXKQDVVZBPQD-UHFFFAOYSA-N 0 0 383.662 5.366 50 0 GKAARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccco2)n1 ZINC000001387100 570975896 /nfs/dbraw/zinc/97/58/96/570975896.db2.gz LOSJBYOUSNTZHR-OAHLLOKOSA-N 0 0 376.387 5.111 50 0 GKAARN CCOc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1 ZINC000085808144 570976336 /nfs/dbraw/zinc/97/63/36/570976336.db2.gz AUAZNAABJRKKGW-UHFFFAOYSA-N 0 0 389.430 6.017 50 0 GKAARN Cc1nc(/C=C/C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000012736099 570977977 /nfs/dbraw/zinc/97/79/77/570977977.db2.gz AJCUITWZIBJGRB-NSCUHMNNSA-N 0 0 380.313 5.141 50 0 GKAARN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001392099 570978181 /nfs/dbraw/zinc/97/81/81/570978181.db2.gz KSOXUXVWTAWNRQ-UHFFFAOYSA-N 0 0 395.336 5.848 50 0 GKAARN COc1ccc2nc(/C=C/c3ccccc3)c(C/C=C(/C)Cl)c(Cl)c2c1 ZINC000004772699 570978407 /nfs/dbraw/zinc/97/84/07/570978407.db2.gz DZJGTMDIVVJVJO-JMOPODCTSA-N 0 0 384.306 6.752 50 0 GKAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c(Cl)c1 ZINC000044837521 570978488 /nfs/dbraw/zinc/97/84/88/570978488.db2.gz ATDGQOBVZIIEFR-UHFFFAOYSA-N 0 0 390.668 5.053 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](C(C)(C)C)CO2 ZINC000001393789 570978707 /nfs/dbraw/zinc/97/87/07/570978707.db2.gz UPVUNAGAPPIYDV-GOSISDBHSA-N 0 0 377.406 5.468 50 0 GKAARN COc1ccc(-c2nc(C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 ZINC000019358096 570978906 /nfs/dbraw/zinc/97/89/06/570978906.db2.gz JITSAMQBIGBAER-UHFFFAOYSA-N 0 0 388.876 5.041 50 0 GKAARN O=C(c1cc(-c2cccc3ccccc32)n[nH]1)N1CC=C(c2ccccc2)CC1 ZINC000044838737 570979155 /nfs/dbraw/zinc/97/91/55/570979155.db2.gz ZGFWHWOYVWXXII-UHFFFAOYSA-N 0 0 379.463 5.159 50 0 GKAARN Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2C)n1 ZINC000033325011 570979328 /nfs/dbraw/zinc/97/93/28/570979328.db2.gz XMZSVEDXYMSPEI-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNC(=O)c1ccc(C)cc1 ZINC000001398769 570979828 /nfs/dbraw/zinc/97/98/28/570979828.db2.gz QXHALWFJSQSKTN-UHFFFAOYSA-N 0 0 397.522 5.182 50 0 GKAARN Cc1cc(C(=O)CSc2ccc(Cl)cc2)cc(C)c1OC(=S)N(C)C ZINC000001397547 570979918 /nfs/dbraw/zinc/97/99/18/570979918.db2.gz XWUXYAJOOMSNKT-UHFFFAOYSA-N 0 0 393.961 5.157 50 0 GKAARN COc1ccc([C@H]2CCCCCN2C(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000083943852 570981657 /nfs/dbraw/zinc/98/16/57/570981657.db2.gz HCHQJZMGDUKYKF-JOCHJYFZSA-N 0 0 377.488 5.003 50 0 GKAARN CC(=O)n1ccc(-c2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)n1 ZINC000001400699 570982026 /nfs/dbraw/zinc/98/20/26/570982026.db2.gz COMIISRUXHDUOQ-UHFFFAOYSA-N 0 0 381.741 5.070 50 0 GKAARN Cc1cc(-c2ccccc2)nc(Oc2ccc(C(C)(C)C)cc2)c1S(C)(=O)=O ZINC000001403487 570982134 /nfs/dbraw/zinc/98/21/34/570982134.db2.gz XXXBQTFYFWVYRJ-UHFFFAOYSA-N 0 0 395.524 5.550 50 0 GKAARN Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033327244 570982158 /nfs/dbraw/zinc/98/21/58/570982158.db2.gz IBUVOKKCZSRWSO-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Oc2cccc(C)c2C)cc1 ZINC000001403468 570982463 /nfs/dbraw/zinc/98/24/63/570982463.db2.gz DEAUJTDWFWZDHU-UHFFFAOYSA-N 0 0 381.497 5.249 50 0 GKAARN COc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1Cc1ccccc1 ZINC000083953066 570982989 /nfs/dbraw/zinc/98/29/89/570982989.db2.gz LEJVJIRWDGOHGM-UHFFFAOYSA-N 0 0 389.348 5.095 50 0 GKAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)c2ccncc2Cl)c1C ZINC000170646515 570983466 /nfs/dbraw/zinc/98/34/66/570983466.db2.gz ZCDNQQCDNAANRG-UHFFFAOYSA-N 0 0 395.677 5.097 50 0 GKAARN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccncc1Cl ZINC000170646506 570983662 /nfs/dbraw/zinc/98/36/62/570983662.db2.gz NGOQJJKGSJYECM-SNVBAGLBSA-N 0 0 392.311 5.311 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)c1 ZINC000001408906 570985145 /nfs/dbraw/zinc/98/51/45/570985145.db2.gz JKXKCHPDKGYEBY-UHFFFAOYSA-N 0 0 399.538 6.150 50 0 GKAARN COc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC ZINC000004778120 570985269 /nfs/dbraw/zinc/98/52/69/570985269.db2.gz 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O=C(c1ccc(F)cc1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCC2 ZINC000045932914 571002619 /nfs/dbraw/zinc/00/26/19/571002619.db2.gz HOFKQCHSLFAQRY-UHFFFAOYSA-N 0 0 386.879 5.022 50 0 GKAARN Cc1cccc(C2=NC3(CCCC3)N(C(=O)c3ccc(C)c(C)c3)C2=S)c1 ZINC000045933054 571002661 /nfs/dbraw/zinc/00/26/61/571002661.db2.gz XKPDOTPWGGPZFD-UHFFFAOYSA-N 0 0 376.525 5.155 50 0 GKAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000084142251 571002718 /nfs/dbraw/zinc/00/27/18/571002718.db2.gz WGDREBKRCFBJCX-UHFFFAOYSA-N 0 0 399.903 5.291 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cs1)N1CCCCC[C@H]1c1ccncc1 ZINC000045949406 571003034 /nfs/dbraw/zinc/00/30/34/571003034.db2.gz CXXQEYPOKVKFHW-IBGZPJMESA-N 0 0 378.501 5.354 50 0 GKAARN O=C1C(=O)N(Cc2ccccc2Cl)[C@H](c2ccccc2F)C1c1ccccc1 ZINC000045941366 571003100 /nfs/dbraw/zinc/00/31/00/571003100.db2.gz LZEAHMFZPRRWBG-OAQYLSRUSA-N 0 0 393.845 5.532 50 0 GKAARN CCc1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941669 571003420 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CCc1ccc2occ(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 ZINC000016806613 210196855 /nfs/dbraw/zinc/19/68/55/210196855.db2.gz UAFBNFSCLZWIQL-UHFFFAOYSA-N 0 0 381.781 5.849 50 0 GKAARN Cc1cc(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)no1 ZINC000016743591 210196450 /nfs/dbraw/zinc/19/64/50/210196450.db2.gz KKHQADAKGBQSKZ-KRWDZBQOSA-N 0 0 381.482 5.065 50 0 GKAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccc(OC(F)F)cc3)o2)cc1 ZINC000016706590 210195570 /nfs/dbraw/zinc/19/55/70/210195570.db2.gz RIJYLWUTGFQYQM-UHFFFAOYSA-N 0 0 387.382 5.128 50 0 GKAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3OC(F)F)o2)cc1 ZINC000016706595 210195370 /nfs/dbraw/zinc/19/53/70/210195370.db2.gz XNUFRNRIRQVGCG-UHFFFAOYSA-N 0 0 387.382 5.128 50 0 GKAARN CC(C)[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000016695283 210194311 /nfs/dbraw/zinc/19/43/11/210194311.db2.gz IVCJKLDTKHULQP-XMMPIXPASA-N 0 0 389.543 5.458 50 0 GKAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(C)c2)o1 ZINC000016039376 210182756 /nfs/dbraw/zinc/18/27/56/210182756.db2.gz DLGQZJOQKRDHCQ-GOEBONIOSA-N 0 0 391.537 5.282 50 0 GKAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc4ccccc4n3)cc2)c1 ZINC000015868501 210178433 /nfs/dbraw/zinc/17/84/33/210178433.db2.gz CPMSVBQOHXKTRW-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN CCc1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 ZINC000015881498 210178286 /nfs/dbraw/zinc/17/82/86/210178286.db2.gz FNZPDFILDZKDCS-UHFFFAOYSA-N 0 0 388.471 5.016 50 0 GKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(Br)cc2)s1 ZINC000015867064 210176132 /nfs/dbraw/zinc/17/61/32/210176132.db2.gz RGRHDFYSNJHNTI-MRXNPFEDSA-N 0 0 393.350 5.968 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000015864416 210175729 /nfs/dbraw/zinc/17/57/29/210175729.db2.gz LTMLXIURWNPMRV-UHFFFAOYSA-N 0 0 393.830 5.801 50 0 GKAARN COc1ccc(-c2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1 ZINC000015842404 210174842 /nfs/dbraw/zinc/17/48/42/210174842.db2.gz OYEWQNBMJIVVJV-UHFFFAOYSA-N 0 0 389.503 5.267 50 0 GKAARN Cc1c(C)n(-c2cccc(C)c2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000015842231 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Cc1c(NC(=O)COc2ccccc2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000015833157 210173255 /nfs/dbraw/zinc/17/32/55/210173255.db2.gz GYBXTYZJUPLUDB-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN COc1cccc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000015835509 210172627 /nfs/dbraw/zinc/17/26/27/210172627.db2.gz YBUJIURDSNYHTH-NRFANRHFSA-N 0 0 376.481 5.100 50 0 GKAARN Cc1cc(C)c(NC(=O)CSc2nccn2Cc2ccccc2Cl)c(C)c1 ZINC000015825456 210171403 /nfs/dbraw/zinc/17/14/03/210171403.db2.gz XCYIBSFPKDOMIP-UHFFFAOYSA-N 0 0 399.947 5.241 50 0 GKAARN O=C(Nc1cc(-c2ccccc2F)nn1-c1ccccc1)c1ccccc1Cl ZINC000015821185 210170688 /nfs/dbraw/zinc/17/06/88/210170688.db2.gz NBCBEVVDRUWJSS-UHFFFAOYSA-N 0 0 391.833 5.584 50 0 GKAARN CN1c2ccc(NC(=O)c3cccc(Cl)c3)cc2Sc2ccccc2C1=O ZINC000015826024 210170470 /nfs/dbraw/zinc/17/04/70/210170470.db2.gz PZMGHHCTJVCWCB-UHFFFAOYSA-N 0 0 394.883 5.334 50 0 GKAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785197 210168993 /nfs/dbraw/zinc/16/89/93/210168993.db2.gz CVPIOOHWZBHSDB-UHFFFAOYSA-N 0 0 384.769 5.679 50 0 GKAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)Nc1ccc(C)cc1C ZINC000015681464 210164591 /nfs/dbraw/zinc/16/45/91/210164591.db2.gz KOKFBOHFINYBFI-UHFFFAOYSA-N 0 0 384.483 5.149 50 0 GKAARN CCCNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000015682171 210163883 /nfs/dbraw/zinc/16/38/83/210163883.db2.gz UKINYRTXSVLCLV-UHFFFAOYSA-N 0 0 380.513 5.391 50 0 GKAARN Cc1ccccc1Cn1cc(CCC(=O)N[C@H]2CCCC[C@H]2C)c2ccccc21 ZINC000015678401 210161918 /nfs/dbraw/zinc/16/19/18/210161918.db2.gz VIFQXFGGROEPHB-YKSBVNFPSA-N 0 0 388.555 5.626 50 0 GKAARN CC[C@H](C)NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671838 210160233 /nfs/dbraw/zinc/16/02/33/210160233.db2.gz WLSCGZGYPFAJCX-SLURRGMYSA-N 0 0 383.488 5.184 50 0 biogenic GKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000015554421 210158330 /nfs/dbraw/zinc/15/83/30/210158330.db2.gz RVMYNOCZVHNANP-UHFFFAOYSA-N 0 0 381.403 5.564 50 0 GKAARN C[C@]12[C@H](c3ccccc3)c3ccccc3O[C@@]1(c1cccs1)C2(Cl)Cl ZINC000015320623 210156790 /nfs/dbraw/zinc/15/67/90/210156790.db2.gz UZBXZHWLMVYTGC-HSALFYBXSA-N 0 0 387.331 6.362 50 0 GKAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000015302324 210156438 /nfs/dbraw/zinc/15/64/38/210156438.db2.gz NKZUNYHFGMXXIY-UHFFFAOYSA-N 0 0 376.456 5.002 50 0 GKAARN COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc1OC ZINC000015106436 210153101 /nfs/dbraw/zinc/15/31/01/210153101.db2.gz PWNDFEXBXGJYJS-ZBFHGGJFSA-N 0 0 399.556 5.390 50 0 GKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccc(F)c2)cc1OC ZINC000015107639 210152803 /nfs/dbraw/zinc/15/28/03/210152803.db2.gz GEHLMYJCUPYEKT-HNNXBMFYSA-N 0 0 383.444 5.046 50 0 GKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1cccc(F)c1)CC(=O)N2 ZINC000015106729 210152692 /nfs/dbraw/zinc/15/26/92/210152692.db2.gz JFSJLVBNIOZGKC-MRXNPFEDSA-N 0 0 398.434 5.711 50 0 GKAARN O=C(Nc1cccc(OC(=O)OCc2ccccc2)c1)OCc1ccccc1 ZINC000015108632 210152014 /nfs/dbraw/zinc/15/20/14/210152014.db2.gz BHBMBKPSBUDUEA-UHFFFAOYSA-N 0 0 377.396 5.151 50 0 GKAARN COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)ccc1O ZINC000015106451 210151761 /nfs/dbraw/zinc/15/17/61/210151761.db2.gz YPJOAGIELWLHSL-UKRRQHHQSA-N 0 0 385.529 5.087 50 0 GKAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCc1ccc(Cl)cc1 ZINC000225545591 222681963 /nfs/dbraw/zinc/68/19/63/222681963.db2.gz OZSFWTGBNYYIJR-UHFFFAOYSA-N 0 0 395.915 5.357 50 0 GKAARN O=C(NCc1cccnc1-c1ccsc1)C1c2ccccc2Oc2ccccc21 ZINC000225645529 222687781 /nfs/dbraw/zinc/68/77/81/222687781.db2.gz NMNJXGSYLOMBPI-UHFFFAOYSA-N 0 0 398.487 5.364 50 0 GKAARN COc1cc2c(cc1OC)[C@H](c1cccc(C(F)(F)F)c1)O[C@H]1CCCC[C@@H]21 ZINC000015022007 210144958 /nfs/dbraw/zinc/14/49/58/210144958.db2.gz LQWXTPZEKJJKFX-XERREHJYSA-N 0 0 392.417 5.868 50 0 GKAARN COc1ccc(-c2nc(CN3CCn4cccc4[C@@H]3C)c(C)o2)c2ccccc12 ZINC000015063978 210144587 /nfs/dbraw/zinc/14/45/87/210144587.db2.gz BDCAXJSUCWASML-INIZCTEOSA-N 0 0 387.483 5.190 50 0 GKAARN COc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cc(Cl)c(OC)c(OC)c1)N2 ZINC000015018091 210143320 /nfs/dbraw/zinc/14/33/20/210143320.db2.gz JWLSOIKHPQABDM-GKCIPKSASA-N 0 0 389.879 5.000 50 0 GKAARN CCOc1ccccc1-c1nc(CN2CCC[C@H]2c2ccccc2OC)c(C)o1 ZINC000014957451 210133770 /nfs/dbraw/zinc/13/37/70/210133770.db2.gz MKNQASDFMSSVJD-NRFANRHFSA-N 0 0 392.499 5.394 50 0 GKAARN O=C(c1cccs1)N(Cc1cccc(OCc2ccccc2F)c1)C1CC1 ZINC000014958159 210133180 /nfs/dbraw/zinc/13/31/80/210133180.db2.gz ZBORSTBMEJSCJU-UHFFFAOYSA-N 0 0 381.472 5.271 50 0 GKAARN CCOc1ccccc1-c1nc(CN2CCC[C@@H]2c2ccccc2OC)c(C)o1 ZINC000014957447 210132748 /nfs/dbraw/zinc/13/27/48/210132748.db2.gz MKNQASDFMSSVJD-OAQYLSRUSA-N 0 0 392.499 5.394 50 0 GKAARN Fc1ccc(C=Cc2nc(SCc3coc(-c4ccccc4)n3)n[nH]2)cc1 ZINC000014897911 210131893 /nfs/dbraw/zinc/13/18/93/210131893.db2.gz AUHFBUNXCCKCAI-DHZHZOJOSA-N 0 0 378.432 5.062 50 0 GKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000014906277 210130978 /nfs/dbraw/zinc/13/09/78/210130978.db2.gz RWNZZCVVIJHSCA-UHFFFAOYSA-N 0 0 395.308 5.149 50 0 GKAARN O=C(CCCSc1n[nH]c(C=Cc2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000014807724 210129666 /nfs/dbraw/zinc/12/96/66/210129666.db2.gz CWDVIUBWJIKBST-LFYBBSHMSA-N 0 0 385.439 5.009 50 0 GKAARN O=C(Nc1cccc2ncccc21)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014791936 210129291 /nfs/dbraw/zinc/12/92/91/210129291.db2.gz MEPUSXBIMQFCJS-UHFFFAOYSA-N 0 0 387.053 5.496 50 0 GKAARN CCCCN(C(=O)c1ccc(Cl)nc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000014820495 210128909 /nfs/dbraw/zinc/12/89/09/210128909.db2.gz HFQHTOSUINTZEH-UHFFFAOYSA-N 0 0 389.883 5.445 50 0 GKAARN Cc1c2cc(F)ccc2oc1C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000014704181 210122546 /nfs/dbraw/zinc/12/25/46/210122546.db2.gz RHZZYWCWFBHBJY-IBGZPJMESA-N 0 0 397.496 5.791 50 0 GKAARN Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)c1 ZINC000014609479 210120736 /nfs/dbraw/zinc/12/07/36/210120736.db2.gz GPDFONBMGCGRGW-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN COc1ccc([C@@H]2CCCCCN2[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000014123301 210103737 /nfs/dbraw/zinc/10/37/37/210103737.db2.gz UMZYZWLHLXYLRD-UWJYYQICSA-N 0 0 396.531 5.031 50 0 GKAARN COc1ccccc1[C@@H](C)Nc1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC000014094239 210103457 /nfs/dbraw/zinc/10/34/57/210103457.db2.gz OJBFTZIGYILRLA-OAHLLOKOSA-N 0 0 396.560 5.086 50 0 GKAARN C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-c2ccccc2)cc1 ZINC000014183776 210106969 /nfs/dbraw/zinc/10/69/69/210106969.db2.gz LXCJNGDGOMDOLT-QGZVFWFLSA-N 0 0 399.519 5.292 50 0 GKAARN COc1ccc(C)cc1NC(=O)[C@@H](N[C@@H](C)c1cccs1)c1ccccc1 ZINC000014140821 210106293 /nfs/dbraw/zinc/10/62/93/210106293.db2.gz VZUSLPCOKBKDGQ-KKSFZXQISA-N 0 0 380.513 5.096 50 0 GKAARN COc1ccc(-c2csc3nc(C)nc(N[C@@H](C)c4ccco4)c23)cc1OC ZINC000014141472 210105192 /nfs/dbraw/zinc/10/51/92/210105192.db2.gz WMYURFCFFLWGDB-LBPRGKRZSA-N 0 0 395.484 5.450 50 0 GKAARN CCOc1ccc(Oc2ccc(NC(=O)CCc3c(C)noc3C)cc2)cc1 ZINC000014084129 210101857 /nfs/dbraw/zinc/10/18/57/210101857.db2.gz LPXIJJOVLZBEBI-UHFFFAOYSA-N 0 0 380.444 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Cc1ccc(CNC(=O)NCc2c3ccccc3n(C)c2-c2cccs2)cc1 ZINC000009211762 209817659 /nfs/dbraw/zinc/81/76/59/209817659.db2.gz KHJGVPSYYGHDPL-UHFFFAOYSA-N 0 0 389.524 5.215 50 0 GKAARN Cc1cc2nc(-c3cc4cc(Br)cc(C)c4oc3=O)[nH]c2cc1C ZINC000009187542 209814975 /nfs/dbraw/zinc/81/49/75/209814975.db2.gz IHEVHZBWWIWIGU-UHFFFAOYSA-N 0 0 383.245 5.024 50 0 GKAARN C[C@H](CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 ZINC000008755217 209799147 /nfs/dbraw/zinc/79/91/47/209799147.db2.gz VJMVNXPPDABJTK-OAHLLOKOSA-N 0 0 376.481 5.366 50 0 GKAARN Fc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2)[nH]1 ZINC000008739215 209797976 /nfs/dbraw/zinc/79/79/76/209797976.db2.gz WXGQPJAYRIUJNU-UHFFFAOYSA-N 0 0 383.253 6.857 50 0 GKAARN COc1cccc(-c2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)c1OC ZINC000008703933 209791706 /nfs/dbraw/zinc/79/17/06/209791706.db2.gz VAYHRTNWGUGVEP-INIZCTEOSA-N 0 0 398.528 5.092 50 0 GKAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008656892 209790211 /nfs/dbraw/zinc/79/02/11/209790211.db2.gz 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Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccc3c(c12)C(=O)CC(C)(C)O3 ZINC000006894450 209704126 /nfs/dbraw/zinc/70/41/26/209704126.db2.gz NXOYGFYROZVHTE-UHFFFAOYSA-N 0 0 383.831 5.391 50 0 GKAARN COc1ccccc1OCCCn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 ZINC000006960075 209711433 /nfs/dbraw/zinc/71/14/33/209711433.db2.gz VHXBBVOJEOTOOU-UHFFFAOYSA-N 0 0 391.389 5.172 50 0 GKAARN Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000006941036 209710602 /nfs/dbraw/zinc/71/06/02/209710602.db2.gz USWFKBPGWIKRSS-UHFFFAOYSA-N 0 0 390.483 5.210 50 0 GKAARN CCCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000006833741 209694465 /nfs/dbraw/zinc/69/44/65/209694465.db2.gz YXAQRACFYHRBKK-QFIPXVFZSA-N 0 0 390.571 6.294 50 0 GKAARN CCN(C(=O)Nc1ccc(OC)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000006826664 209694128 /nfs/dbraw/zinc/69/41/28/209694128.db2.gz OVDMGMDFZPFBSK-UHFFFAOYSA-N 0 0 397.500 5.194 50 0 GKAARN Cn1c2ccccc2c(=O)c(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1 ZINC000006804505 209690280 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Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CSc2ccccc2)n1 ZINC000006588723 209659191 /nfs/dbraw/zinc/65/91/91/209659191.db2.gz JTKGGBVPCOWJHY-UHFFFAOYSA-N 0 0 379.510 5.331 50 0 GKAARN Cc1csc(N(C(=O)/C=C/c2nc3ccccc3s2)c2ccccc2)n1 ZINC000006587512 209657408 /nfs/dbraw/zinc/65/74/08/209657408.db2.gz KWRIBTRCNSRKNQ-VAWYXSNFSA-N 0 0 377.494 5.439 50 0 GKAARN COc1ccc(OCCCC(=O)Oc2ccc3oc4ccccc4c3c2)cc1 ZINC000006304991 209642410 /nfs/dbraw/zinc/64/24/10/209642410.db2.gz YNVIIYPAFDIFKW-UHFFFAOYSA-N 0 0 376.408 5.359 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CSc1ccc(Br)cc1 ZINC000006232104 209639004 /nfs/dbraw/zinc/63/90/04/209639004.db2.gz SAWHZUYLPGBPCN-UHFFFAOYSA-N 0 0 378.335 5.612 50 0 GKAARN Cc1nc(-c2ccccc2)sc1C(=O)COc1ccc(Cl)c2ccccc12 ZINC000006187308 209635220 /nfs/dbraw/zinc/63/52/20/209635220.db2.gz CWXKFWQZVTYSCU-UHFFFAOYSA-N 0 0 393.895 6.187 50 0 GKAARN COc1ccc(C(=O)C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000006181818 209634717 /nfs/dbraw/zinc/63/47/17/209634717.db2.gz WVYRVIODPUMCBV-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/60/96/50/209609650.db2.gz AEBKBYSOHBBHLK-UHFFFAOYSA-N 0 0 377.513 5.931 50 0 GKAARN Clc1ccc(Oc2nc(-c3ccccc3)nnc2-c2ccccc2)c(Cl)c1 ZINC000005685039 209609245 /nfs/dbraw/zinc/60/92/45/209609245.db2.gz WXHYHURJBLVFLQ-UHFFFAOYSA-N 0 0 394.261 6.305 50 0 GKAARN Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1Cl ZINC000005515071 209601015 /nfs/dbraw/zinc/60/10/15/209601015.db2.gz FBUKMCGTAINNAJ-NRFANRHFSA-N 0 0 385.269 6.488 50 0 GKAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000005509488 209598972 /nfs/dbraw/zinc/59/89/72/209598972.db2.gz PCHMZIJDKISGEJ-UHFFFAOYSA-N 0 0 381.859 5.342 50 0 GKAARN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC ZINC000005296259 209585161 /nfs/dbraw/zinc/58/51/61/209585161.db2.gz CGHQQNVDBLAQBU-UHFFFAOYSA-N 0 0 394.327 5.573 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 ZINC000005174268 209578303 /nfs/dbraw/zinc/57/83/03/209578303.db2.gz FCOWQFUEJNCNEW-UHFFFAOYSA-N 0 0 388.492 5.923 50 0 GKAARN Cc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000005150594 209574655 /nfs/dbraw/zinc/57/46/55/209574655.db2.gz BMFLCPZJWGOOIX-UHFFFAOYSA-N 0 0 397.887 5.377 50 0 GKAARN COc1ccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)cc1OC ZINC000005128523 209571841 /nfs/dbraw/zinc/57/18/41/209571841.db2.gz HSJFMNSIPFYUMG-UHFFFAOYSA-N 0 0 388.511 5.346 50 0 biogenic GKAARN Cc1cc2sc(N3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)CC3)nc2c(C)c1 ZINC000005107275 209571070 /nfs/dbraw/zinc/57/10/70/209571070.db2.gz INDRMSYXUQFGRP-HHXXYDBFSA-N 0 0 399.604 5.070 50 0 GKAARN Cc1cc2sc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)nc2c(C)c1 ZINC000005106975 209570886 /nfs/dbraw/zinc/57/08/86/209570886.db2.gz NWJQSDBPZTWVHT-KRWDZBQOSA-N 0 0 393.556 5.007 50 0 GKAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(C)c2)o1 ZINC000005100913 209569569 /nfs/dbraw/zinc/56/95/69/209569569.db2.gz DLGQZJOQKRDHCQ-ZBFHGGJFSA-N 0 0 391.537 5.282 50 0 GKAARN O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)C1CCCCC1 ZINC000005077564 209567244 /nfs/dbraw/zinc/56/72/44/209567244.db2.gz 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392.524 5.960 50 0 GKAARN O=C(Cc1cccc2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000002841741 209389372 /nfs/dbraw/zinc/38/93/72/209389372.db2.gz OAOBXRJITROXSY-UHFFFAOYSA-N 0 0 386.495 5.084 50 0 GKAARN C[C@@H](Sc1ccccc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000002814977 209388926 /nfs/dbraw/zinc/38/89/26/209388926.db2.gz HDVLKPKZUMCSDT-CYBMUJFWSA-N 0 0 383.941 5.009 50 0 GKAARN Clc1ccccc1OCc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 ZINC000002806432 209388742 /nfs/dbraw/zinc/38/87/42/209388742.db2.gz CTJSIQCIGAUIMW-UHFFFAOYSA-N 0 0 386.842 5.177 50 0 GKAARN Cc1ccccc1NC(=O)CSc1nccc(-c2ccc3ccccc3c2)n1 ZINC000002807945 209388665 /nfs/dbraw/zinc/38/86/65/209388665.db2.gz AGDMYQPCCZMWNS-UHFFFAOYSA-N 0 0 385.492 5.336 50 0 GKAARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(F)cc1 ZINC000002811436 209388453 /nfs/dbraw/zinc/38/84/53/209388453.db2.gz LQBIQYBHOWQXDY-UHFFFAOYSA-N 0 0 382.847 6.008 50 0 GKAARN COc1ccc(O[C@@H]2C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000002796727 209386485 /nfs/dbraw/zinc/38/64/85/209386485.db2.gz UCMFWJKCZXDNGO-RPWUZVMVSA-N 0 0 387.479 5.156 50 0 GKAARN O=C(COC(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000002622227 209370703 /nfs/dbraw/zinc/37/07/03/209370703.db2.gz AFFZVOIUFMTYRD-UHFFFAOYSA-N 0 0 382.868 5.531 50 0 GKAARN Cc1cccc(-c2nnc(NCC(=O)c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000002598269 209370857 /nfs/dbraw/zinc/37/08/57/209370857.db2.gz RZRMTBHJRLVTKV-UHFFFAOYSA-N 0 0 378.284 5.115 50 0 GKAARN Clc1ccc(-c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000002578037 209369630 /nfs/dbraw/zinc/36/96/30/209369630.db2.gz XONVIPNSWGOLOH-UHFFFAOYSA-N 0 0 390.339 5.444 50 0 GKAARN CC(C)Cc1ccc(/C=C/C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002570951 209369643 /nfs/dbraw/zinc/36/96/43/209369643.db2.gz BMXIQQYTTYOTQX-SAPNQHFASA-N 0 0 385.507 6.007 50 0 GKAARN Cc1cc2oc(=O)c(-c3ccc(Cl)cc3)c(Cc3ccccc3)c2cc1Cl ZINC000002581706 209369730 /nfs/dbraw/zinc/36/97/30/209369730.db2.gz WSYCXWXGYMKCFC-UHFFFAOYSA-N 0 0 395.285 6.666 50 0 GKAARN O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)c1ccc(F)cc1 ZINC000002556318 209369134 /nfs/dbraw/zinc/36/91/34/209369134.db2.gz CNXYLRFJXMLFIK-UHFFFAOYSA-N 0 0 397.274 5.566 50 0 GKAARN O=C(CCc1ccc(Br)cc1)c1ccc(Br)cc1F ZINC000002517196 209368592 /nfs/dbraw/zinc/36/85/92/209368592.db2.gz OXCQHVBLVXKOQP-UHFFFAOYSA-N 0 0 386.058 5.166 50 0 GKAARN O=C(CCC1CCCCC1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002494107 209368646 /nfs/dbraw/zinc/36/86/46/209368646.db2.gz VDGVAVVIWJXYHI-XMMPIXPASA-N 0 0 394.490 5.056 50 0 GKAARN CCOC(=O)CCCCCCC(=O)c1cccc(Cn2ccc3ccccc32)c1 ZINC000002515212 209368519 /nfs/dbraw/zinc/36/85/19/209368519.db2.gz VLFXIXRCFFHZOI-UHFFFAOYSA-N 0 0 391.511 5.776 50 0 GKAARN Cc1ccc(-c2noc(-c3cc(-c4ccc(F)cc4)nc4ccccc43)n2)cc1 ZINC000002479435 209366318 /nfs/dbraw/zinc/36/63/18/209366318.db2.gz HBXOANWNGACUNM-UHFFFAOYSA-N 0 0 381.410 6.066 50 0 GKAARN Cc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1 ZINC000002451707 209365577 /nfs/dbraw/zinc/36/55/77/209365577.db2.gz 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ZINC000002774105 209383774 /nfs/dbraw/zinc/38/37/74/209383774.db2.gz NJQQVATZQJBBBE-JKSUJKDBSA-N 0 0 387.907 5.397 50 0 GKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002780496 209383826 /nfs/dbraw/zinc/38/38/26/209383826.db2.gz FAYNKKQHNYMSIA-UHFFFAOYSA-N 0 0 397.212 5.103 50 0 GKAARN O=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000002777161 209383454 /nfs/dbraw/zinc/38/34/54/209383454.db2.gz KHBIMLCWLFOLIM-UHFFFAOYSA-N 0 0 394.479 5.801 50 0 GKAARN CCc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)c2C(=O)OC)cc1 ZINC000002760970 209382858 /nfs/dbraw/zinc/38/28/58/209382858.db2.gz IPITYAKEWUNERM-UHFFFAOYSA-N 0 0 395.480 5.025 50 0 GKAARN Cc1ccc2nc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2c1 ZINC000002748427 209382564 /nfs/dbraw/zinc/38/25/64/209382564.db2.gz QNMAXQWVFIAICH-FQEVSTJZSA-N 0 0 390.533 6.077 50 0 GKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000002755662 209382589 /nfs/dbraw/zinc/38/25/89/209382589.db2.gz CNWFHLWXDGGATO-UHFFFAOYSA-N 0 0 395.886 6.238 50 0 GKAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000002750080 209382627 /nfs/dbraw/zinc/38/26/27/209382627.db2.gz XGVBHHRBVRERDF-UHFFFAOYSA-N 0 0 389.517 5.083 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)cc1 ZINC000002759840 209382388 /nfs/dbraw/zinc/38/23/88/209382388.db2.gz PZBFSFXTHBGTJT-DEOSSOPVSA-N 0 0 392.502 6.018 50 0 GKAARN COC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccccc1 ZINC000002763053 209382418 /nfs/dbraw/zinc/38/24/18/209382418.db2.gz IYTUSHSDADWFPI-KRWDZBQOSA-N 0 0 398.311 5.033 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)cc1 ZINC000002764780 209382250 /nfs/dbraw/zinc/38/22/50/209382250.db2.gz ORJUJYDBANPHEK-UHFFFAOYSA-N 0 0 398.487 5.995 50 0 GKAARN Cc1c(C(=O)Nc2cc(F)ccc2C)c(-c2ccccc2)nn1-c1ccccc1 ZINC000002749552 209381950 /nfs/dbraw/zinc/38/19/50/209381950.db2.gz WYIJLSHBVIRIKZ-UHFFFAOYSA-N 0 0 385.442 5.548 50 0 GKAARN COc1ccc(C(F)(F)F)cc1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000002754008 209381982 /nfs/dbraw/zinc/38/19/82/209381982.db2.gz LWUMQMSEQNXWQK-UHFFFAOYSA-N 0 0 378.778 5.315 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCCCCCC1 ZINC000002742446 209381613 /nfs/dbraw/zinc/38/16/13/209381613.db2.gz MFPCYBSUHQPORG-UHFFFAOYSA-N 0 0 381.303 5.800 50 0 GKAARN CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[C@H](CC)C2 ZINC000002741681 209381669 /nfs/dbraw/zinc/38/16/69/209381669.db2.gz NESSWVWVNUKTKX-HNNXBMFYSA-N 0 0 385.529 5.011 50 0 GKAARN CCOC(=O)c1c(NC(=O)CCC2CCCCC2)sc2c1CCCCC2 ZINC000002734254 209381673 /nfs/dbraw/zinc/38/16/73/209381673.db2.gz KAKSBYZIVKNBCK-UHFFFAOYSA-N 0 0 377.550 5.493 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC[C@H](CC)C2 ZINC000002741426 209381397 /nfs/dbraw/zinc/38/13/97/209381397.db2.gz KSMPCMIYGIVKOC-FQNOHDAGSA-N 0 0 383.513 5.092 50 0 GKAARN Cn1nc(C2CC2)c2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000002741132 209381465 /nfs/dbraw/zinc/38/14/65/209381465.db2.gz VLNBMPSOWLLEFD-UHFFFAOYSA-N 0 0 396.210 5.294 50 0 GKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1c(Cl)cccc1Cl ZINC000002739285 209381560 /nfs/dbraw/zinc/38/15/60/209381560.db2.gz HYUJBKZOSWPTRF-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000002736964 209381362 /nfs/dbraw/zinc/38/13/62/209381362.db2.gz AWJMZTDIYPFPHS-SNVBAGLBSA-N 0 0 381.284 5.318 50 0 GKAARN O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002739973 209380649 /nfs/dbraw/zinc/38/06/49/209380649.db2.gz FMKFJEXJRVRDBG-UHFFFAOYSA-N 0 0 378.884 5.798 50 0 GKAARN Cc1nn(C(C)(C)C)c(OC(=O)Cc2ccc(F)cc2)c1Sc1ccccc1 ZINC000002718546 209379707 /nfs/dbraw/zinc/37/97/07/209379707.db2.gz HTJGBYQHYKFWIG-UHFFFAOYSA-N 0 0 398.503 5.385 50 0 GKAARN O=c1c2[nH]c3ccccc3c2nc(SCc2ccccc2)n1-c1ccccc1 ZINC000002720648 209379791 /nfs/dbraw/zinc/37/97/91/209379791.db2.gz CQUSINPALMJHHM-UHFFFAOYSA-N 0 0 383.476 5.159 50 0 GKAARN Cc1ccc(C)c(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)c1 ZINC000002718035 209379866 /nfs/dbraw/zinc/37/98/66/209379866.db2.gz RYLVUUIHSGTTTO-UHFFFAOYSA-N 0 0 390.512 5.047 50 0 GKAARN Cc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1Cl ZINC000002723677 209379050 /nfs/dbraw/zinc/37/90/50/209379050.db2.gz YGVFOVDKQRDNRL-UHFFFAOYSA-N 0 0 392.311 5.218 50 0 GKAARN Cc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000002714140 209378228 /nfs/dbraw/zinc/37/82/28/209378228.db2.gz PUIDGHCXGDILOG-UHFFFAOYSA-N 0 0 376.463 6.140 50 0 GKAARN COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002714212 209378303 /nfs/dbraw/zinc/37/83/03/209378303.db2.gz BZZRQEGSCZCOQF-UHFFFAOYSA-N 0 0 392.890 5.108 50 0 GKAARN Cc1cccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c1 ZINC000002690515 209378133 /nfs/dbraw/zinc/37/81/33/209378133.db2.gz FJYCZAIVDKCQGB-UHFFFAOYSA-N 0 0 378.475 6.125 50 0 GKAARN CCOc1cccc2c1Oc1nc(-c3ccc(OC)cc3)nc(SCC)c1C2 ZINC000002715909 209378163 /nfs/dbraw/zinc/37/81/63/209378163.db2.gz SLGSFCKTQJRWPI-UHFFFAOYSA-N 0 0 394.496 5.359 50 0 GKAARN COc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(OC)ccc32)c1 ZINC000002689460 209377800 /nfs/dbraw/zinc/37/78/00/209377800.db2.gz 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/nfs/dbraw/zinc/37/63/33/209376333.db2.gz YJWYEKIBIHBSJM-UHFFFAOYSA-N 0 0 389.480 5.026 50 0 GKAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000002660150 209376180 /nfs/dbraw/zinc/37/61/80/209376180.db2.gz PULNKMUBRLIMSY-UHFFFAOYSA-N 0 0 376.481 5.043 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000002648923 209375020 /nfs/dbraw/zinc/37/50/20/209375020.db2.gz HYMOVGSXUYVPMJ-UHFFFAOYSA-N 0 0 385.385 5.942 50 0 GKAARN Cc1cc(C)c(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)c(C)c1 ZINC000002651549 209375028 /nfs/dbraw/zinc/37/50/28/209375028.db2.gz HUDGWUBVPQVUAR-UHFFFAOYSA-N 0 0 375.497 5.398 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 ZINC000002650608 209374905 /nfs/dbraw/zinc/37/49/05/209374905.db2.gz QVFOGQSRZQJXGM-ZDUSSCGKSA-N 0 0 378.335 5.693 50 0 GKAARN Brc1ccc(Oc2ccc(Nc3nc4ccccc4o3)cc2)cc1 ZINC000002645068 209373950 /nfs/dbraw/zinc/37/39/50/209373950.db2.gz BFKGDPKKCRDRGB-UHFFFAOYSA-N 0 0 381.229 6.126 50 0 GKAARN CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1 ZINC000002645179 209373659 /nfs/dbraw/zinc/37/36/59/209373659.db2.gz SRIYWSIBJVVDPP-UHFFFAOYSA-N 0 0 398.746 6.218 50 0 GKAARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Br)cc1 ZINC000002640763 209373702 /nfs/dbraw/zinc/37/37/02/209373702.db2.gz CQUQWVNMEYQUCK-JTQLQIEISA-N 0 0 393.331 5.178 50 0 GKAARN COc1ccc(-c2csc(NC(=O)CCCc3c[nH]c4ccccc34)n2)cc1 ZINC000002627614 209373279 /nfs/dbraw/zinc/37/32/79/209373279.db2.gz KSQKUAGSEWFDOJ-UHFFFAOYSA-N 0 0 391.496 5.261 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000002635022 209373170 /nfs/dbraw/zinc/37/31/70/209373170.db2.gz GJUXFIKIGKWSKC-UHFFFAOYSA-N 0 0 396.251 5.058 50 0 GKAARN Cc1cc(C)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(C)c1 ZINC000002626245 209373259 /nfs/dbraw/zinc/37/32/59/209373259.db2.gz UEDBGLOWBIUUEC-UHFFFAOYSA-N 0 0 385.463 6.189 50 0 aggregator GKAARN CCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1cccs1 ZINC000002627739 209372362 /nfs/dbraw/zinc/37/23/62/209372362.db2.gz WXZWBTJLNYYIPN-NSHDSACASA-N 0 0 377.922 5.043 50 0 GKAARN O=C1/C(=C/c2ccccc2)N=C(Sc2ccccc2)N1c1cccc(Cl)c1 ZINC000002179704 209348672 /nfs/dbraw/zinc/34/86/72/209348672.db2.gz NHRUGXMHEMHWJB-ZHZULCJRSA-N 0 0 390.895 5.876 50 0 GKAARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000002183032 209348749 /nfs/dbraw/zinc/34/87/49/209348749.db2.gz OPIOQEXYTWWMKZ-VWLOTQADSA-N 0 0 389.926 6.475 50 0 aggregator GKAARN CCCCSc1nnc(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1C ZINC000002185524 209348378 /nfs/dbraw/zinc/34/83/78/209348378.db2.gz GGCRQUCDFPDLRV-XNTDXEJSSA-N 0 0 392.528 5.026 50 0 GKAARN Cc1ccccc1CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002447172 209363298 /nfs/dbraw/zinc/36/32/98/209363298.db2.gz VVMBITXRBJVAAJ-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN CC[C@@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000002423372 209363042 /nfs/dbraw/zinc/36/30/42/209363042.db2.gz FHCUYDBBBNOREO-CYBMUJFWSA-N 0 0 387.980 6.546 50 0 GKAARN CC[C@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000002423373 209362938 /nfs/dbraw/zinc/36/29/38/209362938.db2.gz FHCUYDBBBNOREO-ZDUSSCGKSA-N 0 0 387.980 6.546 50 0 GKAARN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(N4CCCC4)c23)CO1 ZINC000002418105 209362145 /nfs/dbraw/zinc/36/21/45/209362145.db2.gz FOLCUDZRWUANAR-IBGZPJMESA-N 0 0 377.579 5.033 50 0 GKAARN O=C1C[C@@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000002400526 209361370 /nfs/dbraw/zinc/36/13/70/209361370.db2.gz MRUQTAJIBQYNSO-LQOCYXTFSA-N 0 0 399.877 5.271 50 0 GKAARN COc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 ZINC000002399868 209361019 /nfs/dbraw/zinc/36/10/19/209361019.db2.gz CYDLOIDBQVSOID-UHFFFAOYSA-N 0 0 396.494 5.225 50 0 GKAARN CCCCCOc1ccc(NC(=O)CSc2cccc3cccnc32)cc1 ZINC000002351546 209359198 /nfs/dbraw/zinc/35/91/98/209359198.db2.gz IFZXPIJYQTXJQN-UHFFFAOYSA-N 0 0 380.513 5.535 50 0 GKAARN COc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 ZINC000002348141 209359290 /nfs/dbraw/zinc/35/92/90/209359290.db2.gz ZQOXPNIRKSLZFT-UHFFFAOYSA-N 0 0 376.887 6.073 50 0 GKAARN C(=C/c1ccccc1)\CSc1nnc(CSc2nc3ccccc3s2)o1 ZINC000002353937 209359326 /nfs/dbraw/zinc/35/93/26/209359326.db2.gz SDZNHNZILOOLJV-RMKNXTFCSA-N 0 0 397.550 5.777 50 0 GKAARN Cc1ccc(C(=O)N2c3cc(C)ccc3-c3c(=S)ssc3C2(C)C)cc1 ZINC000002350336 209358853 /nfs/dbraw/zinc/35/88/53/209358853.db2.gz FYNAKVVAHOBSGJ-UHFFFAOYSA-N 0 0 397.590 6.718 50 0 GKAARN COc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000002350006 209358857 /nfs/dbraw/zinc/35/88/57/209358857.db2.gz XQWMEIFZTQPKCP-UHFFFAOYSA-N 0 0 395.271 5.165 50 0 GKAARN CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1Cl)CCCC2 ZINC000002358371 209358884 /nfs/dbraw/zinc/35/88/84/209358884.db2.gz YTKUPXWCVUMBIQ-UHFFFAOYSA-N 0 0 387.892 5.144 50 0 GKAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000002364361 209358681 /nfs/dbraw/zinc/35/86/81/209358681.db2.gz ZZGPJMZZVDSUJZ-MRXNPFEDSA-N 0 0 394.327 5.094 50 0 GKAARN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000002360750 209358283 /nfs/dbraw/zinc/35/82/83/209358283.db2.gz 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ZINC000002301412 209356492 /nfs/dbraw/zinc/35/64/92/209356492.db2.gz MXIGKQNBCHYQMQ-UHFFFAOYSA-N 0 0 381.866 6.612 50 0 GKAARN Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)nc(-c3ccccc3)c2c1 ZINC000002318850 209356072 /nfs/dbraw/zinc/35/60/72/209356072.db2.gz FFRQZXILPAKRGJ-UHFFFAOYSA-N 0 0 393.534 6.064 50 0 GKAARN c1ccc(-c2ccc(CSc3nnnn3-c3cccc4ccccc43)cc2)cc1 ZINC000002321702 209355926 /nfs/dbraw/zinc/35/59/26/209355926.db2.gz HQRMXNDCVWOSDD-UHFFFAOYSA-N 0 0 394.503 5.775 50 0 GKAARN CCCCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1 ZINC000002300986 209355559 /nfs/dbraw/zinc/35/55/59/209355559.db2.gz FUCMYZLZEUSIKU-WYMLVPIESA-N 0 0 386.455 5.008 50 0 GKAARN COc1cccc(C(=O)N2c3cc(C)ccc3[C@@](C)(c3ccccc3)CC2(C)C)c1 ZINC000002299902 209355156 /nfs/dbraw/zinc/35/51/56/209355156.db2.gz FCWQCHKLBRKCFP-HHHXNRCGSA-N 0 0 399.534 6.139 50 0 aggregator GKAARN COc1ccc(-c2coc3c2c(C)cc2oc(=O)c4c(c32)CCCC4)cc1F ZINC000002290187 209355239 /nfs/dbraw/zinc/35/52/39/209355239.db2.gz IJNYNPKHGLBGFD-UHFFFAOYSA-N 0 0 378.399 5.541 50 0 GKAARN C[C@H]1C[C@H](N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c2ccccc2N1 ZINC000002279375 209354708 /nfs/dbraw/zinc/35/47/08/209354708.db2.gz TVVUJDXOTKHZLJ-DFBJGRDBSA-N 0 0 398.550 6.576 50 0 GKAARN COc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1OC ZINC000002285743 209354722 /nfs/dbraw/zinc/35/47/22/209354722.db2.gz KVJMSTAWTCFCDU-UHFFFAOYSA-N 0 0 388.511 5.346 50 0 GKAARN CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCc1ccccc1-3 ZINC000002297467 209354457 /nfs/dbraw/zinc/35/44/57/209354457.db2.gz BEYMIDNVCRLSRF-UHFFFAOYSA-N 0 0 390.533 5.243 50 0 GKAARN Cc1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002264728 209353996 /nfs/dbraw/zinc/35/39/96/209353996.db2.gz LHNUIMNYOADUCD-AMGIVPHBSA-N 0 0 387.460 5.005 50 0 GKAARN Cc1cccc(-c2cc(OC(=O)c3ccc(Cl)cc3)cc3sc(=O)oc32)c1 ZINC000002276580 209353869 /nfs/dbraw/zinc/35/38/69/209353869.db2.gz OECCRRRTGFICRG-UHFFFAOYSA-N 0 0 396.851 5.703 50 0 biogenic GKAARN c1ccc(Nn2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000002267482 209353722 /nfs/dbraw/zinc/35/37/22/209353722.db2.gz MFUNWQCWEXRSDV-UHFFFAOYSA-N 0 0 388.474 6.154 50 0 GKAARN Cc1ccc(N(C(=O)Nc2ccc(Cl)c(F)c2)C2=NC[C@H](C)S2)cc1 ZINC000002260558 209353470 /nfs/dbraw/zinc/35/34/70/209353470.db2.gz MPJISQUVZWPYEB-LBPRGKRZSA-N 0 0 377.872 5.317 50 0 GKAARN CCCCNc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 ZINC000002266007 209353532 /nfs/dbraw/zinc/35/35/32/209353532.db2.gz RZYSHEAQKFGCPJ-UHFFFAOYSA-N 0 0 384.549 5.255 50 0 GKAARN Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(F)cc3)c3cc(C)ccc32)cc1 ZINC000002267317 209353409 /nfs/dbraw/zinc/35/34/09/209353409.db2.gz YZLMSOZGERQZHO-WZONZLPQSA-N 0 0 388.486 6.035 50 0 GKAARN CCSc1nnc2c3c(nc(SCC)n12)-c1ccccc1CC31CCCC1 ZINC000002264067 209353412 /nfs/dbraw/zinc/35/34/12/209353412.db2.gz UYEAHOOEPQMJLP-UHFFFAOYSA-N 0 0 396.585 5.383 50 0 GKAARN COc1ccc(Cn2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1 ZINC000002256773 209353136 /nfs/dbraw/zinc/35/31/36/209353136.db2.gz NSRUTEFPFFUJKI-UHFFFAOYSA-N 0 0 380.451 5.012 50 0 GKAARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2S1 ZINC000002241948 209352162 /nfs/dbraw/zinc/35/21/62/209352162.db2.gz ZCCJQTFZEZPWFV-MCMMXHMISA-N 0 0 380.513 5.088 50 0 GKAARN CCCc1nc2sc3c(ncnc3NCc3ccccc3)c2c2c1CCCC2 ZINC000002254796 209352180 /nfs/dbraw/zinc/35/21/80/209352180.db2.gz NAKZQMDSJIANCE-UHFFFAOYSA-N 0 0 388.540 5.683 50 0 GKAARN CCCCc1nc2sc3c(nc(SC)nc3N3CCCC3)c2c2c1CCC2 ZINC000002226549 209351659 /nfs/dbraw/zinc/35/16/59/209351659.db2.gz WTZFEXLXOZNLLZ-UHFFFAOYSA-N 0 0 398.601 5.393 50 0 GKAARN CCC[C@H]1Cc2c(sc3nc(SC/C=C/c4ccccc4)nc(N)c23)CO1 ZINC000002223375 209351395 /nfs/dbraw/zinc/35/13/95/209351395.db2.gz WIZAEQPJTSDNRF-WGPYJDKQSA-N 0 0 397.569 5.320 50 0 GKAARN Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002192234 209350484 /nfs/dbraw/zinc/35/04/84/209350484.db2.gz KREYEKCGUDYDLE-UHFFFAOYSA-N 0 0 397.462 5.922 50 0 GKAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 ZINC000002195212 209350308 /nfs/dbraw/zinc/35/03/08/209350308.db2.gz 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ZINC000002181401 209348880 /nfs/dbraw/zinc/34/88/80/209348880.db2.gz IFYNKZAFRZSIJR-UHFFFAOYSA-N 0 0 393.309 6.184 50 0 GKAARN CCc1ccc([C@@H]2N(Cc3ccccc3)C(C(C)=O)=NN2c2ccccc2)cc1 ZINC000002177902 209348896 /nfs/dbraw/zinc/34/88/96/209348896.db2.gz YFPCYMUPOKBVMM-RUZDIDTESA-N 0 0 383.495 5.173 50 0 GKAARN COc1ccc(-c2cc(=O)oc3cc(OCc4ccccc4OC)ccc32)cc1 ZINC000002119125 209347575 /nfs/dbraw/zinc/34/75/75/209347575.db2.gz LPXVYZDOKZSEBR-UHFFFAOYSA-N 0 0 388.419 5.056 50 0 biogenic GKAARN CCCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCC2 ZINC000002103079 209347247 /nfs/dbraw/zinc/34/72/47/209347247.db2.gz BUFFSKKBKUYASN-UHFFFAOYSA-N 0 0 378.881 5.101 50 0 GKAARN CCc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)c3ccccc3n2)cc1 ZINC000002103211 209347403 /nfs/dbraw/zinc/34/74/03/209347403.db2.gz ZHHLVIHXVIKLBK-SFHVURJKSA-N 0 0 392.502 6.056 50 0 GKAARN Cc1cccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)c1 ZINC000002079322 209346154 /nfs/dbraw/zinc/34/61/54/209346154.db2.gz AZKSWXSAUQWXOS-UHFFFAOYSA-N 0 0 387.866 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/nfs/dbraw/zinc/34/57/54/209345754.db2.gz MJHWXUFKUVNANE-UHFFFAOYSA-N 0 0 398.300 5.786 50 0 GKAARN O=c1oc2cc(-n3nc4ccc5ccccc5c4n3)ccc2cc1-c1ccccc1 ZINC000002066760 209345324 /nfs/dbraw/zinc/34/53/24/209345324.db2.gz ZHMDPDYBWDMLGE-UHFFFAOYSA-N 0 0 389.414 5.347 50 0 GKAARN O=C(Nc1ccc2sc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1Cl ZINC000002067448 209345030 /nfs/dbraw/zinc/34/50/30/209345030.db2.gz GOWXMQQXKUOLIR-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN CCCCCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC ZINC000002060373 209345212 /nfs/dbraw/zinc/34/52/12/209345212.db2.gz RJNSURVKRPWGAV-UHFFFAOYSA-N 0 0 379.909 5.764 50 0 GKAARN CCCc1ccc(-c2nc(C3CCC(C4CCC(CCC)CC4)CC3)no2)cc1 ZINC000002067919 209345243 /nfs/dbraw/zinc/34/52/43/209345243.db2.gz CDENJJXXKVMMMA-UHFFFAOYSA-N 0 0 394.603 7.569 50 0 GKAARN CCOc1ccc2c(c1)-c1c(=S)n(-c3ccc(OC)cc3)sc1C(C)(C)N2 ZINC000002055935 209344764 /nfs/dbraw/zinc/34/47/64/209344764.db2.gz ZDSRZWAKIPYSJR-UHFFFAOYSA-N 0 0 398.553 6.003 50 0 GKAARN CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000002059636 209344803 /nfs/dbraw/zinc/34/48/03/209344803.db2.gz DAVMPNDGZVXWPX-BCHFMIIMSA-N 0 0 398.550 7.095 50 0 GKAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000002056036 209344399 /nfs/dbraw/zinc/34/43/99/209344399.db2.gz CFRFLTMOZVMXSD-FMIVXFBMSA-N 0 0 389.904 5.109 50 0 GKAARN CCCCCCc1ccc(OC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000001953258 209343909 /nfs/dbraw/zinc/34/39/09/209343909.db2.gz YEHAGFAGEFLRER-LFIBNONCSA-N 0 0 387.317 6.191 50 0 biogenic GKAARN COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001921942 209342585 /nfs/dbraw/zinc/34/25/85/209342585.db2.gz CHOGYBHOTCFYGQ-ZDUSSCGKSA-N 0 0 389.492 5.077 50 0 GKAARN C(=C/CSc1nc2ccccc2s1)\CSc1nc2ccccc2s1 ZINC000001898654 209342603 /nfs/dbraw/zinc/34/26/03/209342603.db2.gz DMWNATGGFYAIIP-AATRIKPKSA-N 0 0 386.592 6.347 50 0 GKAARN Cc1cc(OCc2cccc(C(F)(F)F)c2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001902795 209342625 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CCCCN(CC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001842201 209341363 /nfs/dbraw/zinc/34/13/63/209341363.db2.gz HWNQWSISCMIWFR-UHFFFAOYSA-N 0 0 396.604 5.943 50 0 GKAARN CC(=O)Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000001892273 209341430 /nfs/dbraw/zinc/34/14/30/209341430.db2.gz IDAGTSGLBGDUAM-NJNXFGOHSA-N 0 0 389.838 5.911 50 0 GKAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1C ZINC000001847764 209341450 /nfs/dbraw/zinc/34/14/50/209341450.db2.gz GMUVCAKTBCLQCY-JOCHJYFZSA-N 0 0 378.855 5.738 50 0 GKAARN CCOc1ccc(-c2c(C)sc3ncn(Cc4cccc(C)c4)c(=O)c32)cc1 ZINC000001892835 209341524 /nfs/dbraw/zinc/34/15/24/209341524.db2.gz XTMHTWKPLGKGAJ-UHFFFAOYSA-N 0 0 390.508 5.189 50 0 GKAARN COC(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000001892107 209341556 /nfs/dbraw/zinc/34/15/56/209341556.db2.gz SDBWSOLIMOIAFS-LKUDQCMESA-N 0 0 389.838 5.772 50 0 GKAARN Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl ZINC000001894925 209341229 /nfs/dbraw/zinc/34/12/29/209341229.db2.gz 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Oc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 ZINC000001773019 209338615 /nfs/dbraw/zinc/33/86/15/209338615.db2.gz CEGNZJJJPNYPLU-UHFFFAOYSA-N 0 0 382.250 6.053 50 0 GKAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000001744963 209336626 /nfs/dbraw/zinc/33/66/26/209336626.db2.gz JZRJSRDVWHGQMX-UHFFFAOYSA-N 0 0 392.911 5.640 50 0 GKAARN Cc1ccc(C(=O)[C@H]2CN(c3ccccc3)C[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000001398598 209326968 /nfs/dbraw/zinc/32/69/68/209326968.db2.gz XWHXKKJAIPNYTI-ZEQRLZLVSA-N 0 0 383.491 5.122 50 0 GKAARN COc1cccc(CSc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1 ZINC000001400827 209326616 /nfs/dbraw/zinc/32/66/16/209326616.db2.gz NBUKUGRFVCBBNI-UHFFFAOYSA-N 0 0 376.403 5.463 50 0 GKAARN Cc1ccc(NC(=O)OCc2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 ZINC000001394147 209325592 /nfs/dbraw/zinc/32/55/92/209325592.db2.gz DJMRMGVSGGSPLD-UHFFFAOYSA-N 0 0 377.227 5.706 50 0 GKAARN CCNc1nc(SCc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000001396720 209325597 /nfs/dbraw/zinc/32/55/97/209325597.db2.gz 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/nfs/dbraw/zinc/32/54/54/209325454.db2.gz AMLWWZJFFIQCJQ-UHFFFAOYSA-N 0 0 378.646 5.925 50 0 GKAARN COc1ccc(C(=O)Nc2cccc(-c3cn4c5ccccc5sc4n3)c2)cc1 ZINC000001393533 209325310 /nfs/dbraw/zinc/32/53/10/209325310.db2.gz DEMXIQFCBMCCNA-UHFFFAOYSA-N 0 0 399.475 5.477 50 0 GKAARN C[C@H]1CCc2c(sc(NC(=O)c3ccno3)c2-c2nc3ccccc3s2)C1 ZINC000010253942 209323607 /nfs/dbraw/zinc/32/36/07/209323607.db2.gz JDLMJLUNJTVWAJ-NSHDSACASA-N 0 0 395.509 5.390 50 0 GKAARN CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccc(C)cc3)C[C@H]21 ZINC000010215597 209320905 /nfs/dbraw/zinc/32/09/05/209320905.db2.gz HSQWVGYJWDAVCK-ZJSXRUAMSA-N 0 0 385.467 5.031 50 0 GKAARN Cc1ccc(C(=O)CCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000009898945 209319214 /nfs/dbraw/zinc/31/92/14/209319214.db2.gz VSXLIJFCTHOZBD-JOCHJYFZSA-N 0 0 381.472 5.064 50 0 GKAARN Cc1ccccc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000001246694 209317324 /nfs/dbraw/zinc/31/73/24/209317324.db2.gz CNJDBWZUMWCRJS-UHFFFAOYSA-N 0 0 392.915 5.583 50 0 GKAARN O=c1cc(-c2ccccc2Br)nc(-c2ccc(Cl)cc2Cl)o1 ZINC000001244234 209317497 /nfs/dbraw/zinc/31/74/97/209317497.db2.gz LKVCBBKAJZHVBU-UHFFFAOYSA-N 0 0 397.055 5.438 50 0 GKAARN COc1ccccc1[C@H]1SCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001507996 209331460 /nfs/dbraw/zinc/33/14/60/209331460.db2.gz XLUAQNGFPPUYMC-MRXNPFEDSA-N 0 0 383.300 5.282 50 0 GKAARN Cc1cccc(C(=O)N[C@@H](Oc2ccccc2Cl)C(Cl)(Cl)Cl)c1 ZINC000001480437 209331353 /nfs/dbraw/zinc/33/13/53/209331353.db2.gz HOEWRTXSWMATQZ-HNNXBMFYSA-N 0 0 393.097 5.154 50 0 GKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(F)c(F)c1 ZINC000001509027 209331442 /nfs/dbraw/zinc/33/14/42/209331442.db2.gz LPVZORXUZUYNIY-UHFFFAOYSA-N 0 0 385.222 5.647 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000001505070 209330761 /nfs/dbraw/zinc/33/07/61/209330761.db2.gz UPYOGRHGLXVZMH-UHFFFAOYSA-N 0 0 383.234 6.054 50 0 GKAARN COc1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc32)cc1OC ZINC000001473077 209330778 /nfs/dbraw/zinc/33/07/78/209330778.db2.gz BAAOQCLXGNQIOZ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/26/20/32/209262032.db2.gz OCLXNRVHUUNUOR-CABZTGNLSA-N 0 0 389.131 5.464 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(OC(=S)N(C)c3ccccc3)cc2)c1 ZINC000000712612 209262040 /nfs/dbraw/zinc/26/20/40/209262040.db2.gz DTQQHXUZBCVKNZ-UHFFFAOYSA-N 0 0 376.481 5.047 50 0 GKAARN Cc1cc(=O)oc2cc(Oc3ncnc4sc5c(c43)CC[C@@H](C)C5)ccc12 ZINC000000710409 209261783 /nfs/dbraw/zinc/26/17/83/209261783.db2.gz SPJUWERVPHBJPX-LLVKDONJSA-N 0 0 378.453 5.023 50 0 GKAARN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)CC(C)C)c3)oc2c(C)c1 ZINC000000724398 209262567 /nfs/dbraw/zinc/26/25/67/209262567.db2.gz BMVQIOTUERUYAR-UHFFFAOYSA-N 0 0 395.528 5.279 50 0 GKAARN CC(=O)Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 ZINC000000713582 209262337 /nfs/dbraw/zinc/26/23/37/209262337.db2.gz XDWKNTZVNDNTEZ-GOTSBHOMSA-N 0 0 382.507 5.523 50 0 GKAARN CC(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000000716628 209261554 /nfs/dbraw/zinc/26/15/54/209261554.db2.gz PPPWYHXTDUKEEP-QHCPKHFHSA-N 0 0 386.451 5.310 50 0 GKAARN CCOC(=O)Oc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000000703458 209260985 /nfs/dbraw/zinc/26/09/85/209260985.db2.gz BFNWUOVHRDSTPN-UHFFFAOYSA-N 0 0 382.412 5.418 50 0 GKAARN CC(C)OC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 ZINC000000707304 209260700 /nfs/dbraw/zinc/26/07/00/209260700.db2.gz IOTNSRMQOAIJJH-UHFFFAOYSA-N 0 0 377.893 5.098 50 0 GKAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000704898 209260563 /nfs/dbraw/zinc/26/05/63/209260563.db2.gz HMWCNYSAOONDKG-UHFFFAOYSA-N 0 0 379.769 5.105 50 0 GKAARN Cc1ccc(C(=O)Oc2ccc(Br)cc2Br)cc1C ZINC000000682288 209259327 /nfs/dbraw/zinc/25/93/27/209259327.db2.gz ROFDXRKKMCYQKI-UHFFFAOYSA-N 0 0 384.067 5.048 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c(OC)c1 ZINC000000689348 209259358 /nfs/dbraw/zinc/25/93/58/209259358.db2.gz HXCYQWKXXHZOQK-UHFFFAOYSA-N 0 0 388.423 5.073 50 0 GKAARN COC(=O)c1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 ZINC000000685810 209258959 /nfs/dbraw/zinc/25/89/59/209258959.db2.gz GJYWZKVZUKXUOB-UHFFFAOYSA-N 0 0 380.252 5.247 50 0 GKAARN O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000675646 209258374 /nfs/dbraw/zinc/25/83/74/209258374.db2.gz YIYIFXGJJUVXRM-UHFFFAOYSA-N 0 0 382.872 5.259 50 0 aggregator GKAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000000668729 209257172 /nfs/dbraw/zinc/25/71/72/209257172.db2.gz TUMWASHMMHCVBN-AWEZNQCLSA-N 0 0 384.932 6.021 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)c1cc(Cl)ccc1Cl)CCCC3 ZINC000000663233 209256947 /nfs/dbraw/zinc/25/69/47/209256947.db2.gz IFUNNIIRMDMSTF-UHFFFAOYSA-N 0 0 377.296 5.295 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3n2)o1 ZINC000000673113 209258052 /nfs/dbraw/zinc/25/80/52/209258052.db2.gz JUGQXWNENNPIFZ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN O=C(NCc1cccs1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000000670949 209257566 /nfs/dbraw/zinc/25/75/66/209257566.db2.gz HXJMOBGXZBNPGF-UHFFFAOYSA-N 0 0 384.913 5.608 50 0 GKAARN COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000000655523 209255682 /nfs/dbraw/zinc/25/56/82/209255682.db2.gz SAKSXKWOEVKXMZ-VIFPVBQESA-N 0 0 398.311 5.219 50 0 GKAARN Cc1ccc(NC(=O)/C=C/c2cccs2)c(NC(=O)/C=C/c2cccs2)c1 ZINC000000656444 209255555 /nfs/dbraw/zinc/25/55/55/209255555.db2.gz YVLYHNUZNCXUAB-AMMQDNIMSA-N 0 0 394.521 5.422 50 0 GKAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1 ZINC000000657233 209255619 /nfs/dbraw/zinc/25/56/19/209255619.db2.gz SCIAJBCOZNBKDU-NTCAYCPXSA-N 0 0 394.268 5.893 50 0 GKAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000000648385 209255473 /nfs/dbraw/zinc/25/54/73/209255473.db2.gz MIICWRACPJRLMF-YVEFUNNKSA-N 0 0 382.287 5.037 50 0 GKAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000000648388 209255495 /nfs/dbraw/zinc/25/54/95/209255495.db2.gz MIICWRACPJRLMF-SJKOYZFVSA-N 0 0 382.287 5.037 50 0 GKAARN O=C(NCc1ccccc1)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000000648430 209255184 /nfs/dbraw/zinc/25/51/84/209255184.db2.gz JSTIMVWJYVEBCW-UHFFFAOYSA-N 0 0 386.278 5.502 50 0 GKAARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)nc2c1 ZINC000000666941 209256816 /nfs/dbraw/zinc/25/68/16/209256816.db2.gz BCMRXMXUPQHTBR-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN CSc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1 ZINC000000664479 209256583 /nfs/dbraw/zinc/25/65/83/209256583.db2.gz JAFKCDZTRFJAKH-UHFFFAOYSA-N 0 0 397.447 5.180 50 0 GKAARN CCc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[C@H](CC)CC4)c1 ZINC000000661767 209256394 /nfs/dbraw/zinc/25/63/94/209256394.db2.gz WXAWBVBJGGWEFW-CQSZACIVSA-N 0 0 379.529 5.208 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000632996 209253020 /nfs/dbraw/zinc/25/30/20/209253020.db2.gz FSIQCADYZARKOM-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000632994 209252816 /nfs/dbraw/zinc/25/28/16/209252816.db2.gz FONFAVOAOUVUQG-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000000656423 209255308 /nfs/dbraw/zinc/25/53/08/209255308.db2.gz GXOXAZAIIYRQNU-UHFFFAOYSA-N 0 0 394.474 5.974 50 0 GKAARN O=C(NCc1ccc(Cl)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000000648438 209255332 /nfs/dbraw/zinc/25/53/32/209255332.db2.gz DKIHONSWKAKASU-UHFFFAOYSA-N 0 0 386.278 5.502 50 0 GKAARN CCOc1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000000640433 209254157 /nfs/dbraw/zinc/25/41/57/209254157.db2.gz DTTHRUFYGCMDQT-JOCHJYFZSA-N 0 0 376.525 5.356 50 0 GKAARN CC(=O)N1c2ccccc2C(CSc2nc3ccccc3s2)=CC1(C)C ZINC000000642814 209254324 /nfs/dbraw/zinc/25/43/24/209254324.db2.gz NLTPCYFIENGPCC-UHFFFAOYSA-N 0 0 380.538 5.617 50 0 GKAARN Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000000641265 209253702 /nfs/dbraw/zinc/25/37/02/209253702.db2.gz XIDUIUKDWASNEJ-UHFFFAOYSA-N 0 0 379.070 5.626 50 0 GKAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(SC)cc2)cc1 ZINC000000635356 209252617 /nfs/dbraw/zinc/25/26/17/209252617.db2.gz NHWSMYMCLVLSRB-OAQYLSRUSA-N 0 0 376.481 5.188 50 0 GKAARN CC1=C(c2ccccc2)S[C@]2(c3ccccc3)c3nc4ccccc4n3C(=O)[C@H]12 ZINC000000626886 209252323 /nfs/dbraw/zinc/25/23/23/209252323.db2.gz SNXXKMXMDUDTCB-OFVILXPXSA-N 0 0 394.499 5.728 50 0 GKAARN Cc1ccc([C@H](CC(=O)c2cccc(Br)c2)[C@@H]2CCCCC2=O)cc1 ZINC000000624370 209251866 /nfs/dbraw/zinc/25/18/66/209251866.db2.gz WQEREVXFBCSOMD-PMACEKPBSA-N 0 0 399.328 5.873 50 0 GKAARN Cc1cccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 ZINC000000626694 209251566 /nfs/dbraw/zinc/25/15/66/209251566.db2.gz DUOFLPNDGWGKFH-GOSISDBHSA-N 0 0 399.321 5.883 50 0 GKAARN Cc1ccc([C@H](CC(=O)c2cccc(Br)c2)[C@H]2CCCCC2=O)cc1 ZINC000000624366 209251181 /nfs/dbraw/zinc/25/11/81/209251181.db2.gz WQEREVXFBCSOMD-UXHICEINSA-N 0 0 399.328 5.873 50 0 GKAARN CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc32)cc1OCC ZINC000000608359 209250833 /nfs/dbraw/zinc/25/08/33/209250833.db2.gz ZOWYFYXTIWQBEP-UHFFFAOYSA-N 0 0 395.499 5.420 50 0 world GKAARN Cc1cc(OCC(=O)c2ccc3ccccc3c2)c2c3c(c(=O)oc2c1)CCC3 ZINC000000622104 209249710 /nfs/dbraw/zinc/24/97/10/209249710.db2.gz OEDGJPIQWQFICO-UHFFFAOYSA-N 0 0 384.431 5.005 50 0 GKAARN Cc1csc(N(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C2CC2)n1 ZINC000151065381 209246615 /nfs/dbraw/zinc/24/66/15/209246615.db2.gz XKAHRHLQFRDWIU-UHFFFAOYSA-N 0 0 375.906 5.038 50 0 GKAARN Cc1ccc(-c2nc(CN3C(=O)S/C(=C/c4cccs4)C3=O)co2)c(C)c1 ZINC000096996626 209241825 /nfs/dbraw/zinc/24/18/25/209241825.db2.gz WVYQWTQZHGVNNV-RQZCQDPDSA-N 0 0 396.493 5.256 50 0 GKAARN O=c1c(-c2ccc(Cl)cc2)coc2c1ccc1c2CN(C2CCCC2)CO1 ZINC000013727178 209234202 /nfs/dbraw/zinc/23/42/02/209234202.db2.gz WZKQJZIZDRPCJP-UHFFFAOYSA-N 0 0 381.859 5.208 50 0 biogenic GKAARN Cc1c2ccc(NC(=O)c3ccc(F)cc3)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729347 209234267 /nfs/dbraw/zinc/23/42/67/209234267.db2.gz DVRQGZDJRHEEQR-UHFFFAOYSA-N 0 0 387.410 5.672 50 0 GKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4)cc3c2C)c1 ZINC000015729455 209234110 /nfs/dbraw/zinc/23/41/10/209234110.db2.gz VNAHHPVJDDIFFF-UHFFFAOYSA-N 0 0 385.419 5.233 50 0 GKAARN Cc1cc(C)cc(C2=N/C(=C\c3cc4cccc(C)c4nc3Cl)C(=O)O2)c1 ZINC000006509443 209233380 /nfs/dbraw/zinc/23/33/80/209233380.db2.gz QJFYPLNILTZRGO-WQRHYEAKSA-N 0 0 376.843 5.158 50 0 GKAARN Cc1oc2ccc(OC(=O)c3cc4ccccc4o3)cc2c1C(=O)OC(C)C ZINC000004029625 209231017 /nfs/dbraw/zinc/23/10/17/209231017.db2.gz UJMLUADGRZQHCU-UHFFFAOYSA-N 0 0 378.380 5.272 50 0 biogenic GKAARN CCc1cc2c(cc1OCc1ccccc1)occ(-c1ccccc1Cl)c2=O ZINC000001827052 209229344 /nfs/dbraw/zinc/22/93/44/209229344.db2.gz MVCJFPPAZZCWRN-UHFFFAOYSA-N 0 0 390.866 6.255 50 0 GKAARN Cc1c(OC/C=C/c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002110530 209228907 /nfs/dbraw/zinc/22/89/07/209228907.db2.gz YYXQRZRZWZNSOO-NTEUORMPSA-N 0 0 396.486 6.093 50 0 biogenic GKAARN Cc1c2occ(-c3ccc(Br)cc3)c2cc2c(C)c(C)c(=O)oc12 ZINC000002115342 209228554 /nfs/dbraw/zinc/22/85/54/209228554.db2.gz VRNUWGXSCKPYIJ-UHFFFAOYSA-N 0 0 383.241 5.894 50 0 biogenic GKAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000003814428 209230206 /nfs/dbraw/zinc/23/02/06/209230206.db2.gz ZGDZDAPCWHIIKB-LVYWIKMTSA-N 0 0 394.555 5.824 50 0 in-vitro GKAARN Cc1ccccc1COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001915195 209230030 /nfs/dbraw/zinc/23/00/30/209230030.db2.gz CZFHNJXYMQSDFL-UHFFFAOYSA-N 0 0 376.839 6.001 50 0 biogenic GKAARN Cc1c(O[C@@H](C)C(=O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002434125 209230000 /nfs/dbraw/zinc/23/00/00/209230000.db2.gz HCZPDEHMDGIRDW-KRWDZBQOSA-N 0 0 384.431 5.419 50 0 biogenic GKAARN CC(C)Oc1ccc([C@H](CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000001295726 209227869 /nfs/dbraw/zinc/22/78/69/209227869.db2.gz TYLTWIVYGAQIHR-FYYLOGMGSA-N 0 0 395.543 5.070 50 0 biogenic GKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2cc(C)c(C)cc21 ZINC000001448200 209227237 /nfs/dbraw/zinc/22/72/37/209227237.db2.gz HTWDQPDFISZGBN-UHFFFAOYSA-N 0 0 383.241 5.894 50 0 biogenic GKAARN COc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 ZINC000001321633 209227280 /nfs/dbraw/zinc/22/72/80/209227280.db2.gz NYQZDJBSIDBENP-DEOSSOPVSA-N 0 0 389.495 5.643 50 0 biogenic GKAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(C)cc3)cc21 ZINC000000623881 209227321 /nfs/dbraw/zinc/22/73/21/209227321.db2.gz OSVVADZSHIKKAU-UHFFFAOYSA-N 0 0 389.245 5.178 50 0 GKAARN CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000002062960 212263692 /nfs/dbraw/zinc/26/36/92/212263692.db2.gz CFDBHASSPCRLMM-INIZCTEOSA-N 0 0 385.504 5.131 50 0 GKAARN CC(C)(C)c1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(C(C)(C)C)c1O ZINC000002054710 212263706 /nfs/dbraw/zinc/26/37/06/212263706.db2.gz BYQBJVJYQRKXPL-CPNJWEJPSA-N 0 0 395.474 5.471 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C(\Sc1nc2ccccc2o1)c1ccccc1 ZINC000002066701 212263738 /nfs/dbraw/zinc/26/37/38/212263738.db2.gz LANVKGJNKCBSFG-VXPUYCOJSA-N 0 0 398.443 5.292 50 0 GKAARN CC[C@H](C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2)c1ccccc1 ZINC000002070667 212263188 /nfs/dbraw/zinc/26/31/88/212263188.db2.gz QBWFYKKOKAEFMG-WBVHZDCISA-N 0 0 399.556 5.570 50 0 GKAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000002069553 212262756 /nfs/dbraw/zinc/26/27/56/212262756.db2.gz PKSZQHMRCOPELP-LJQANCHMSA-N 0 0 385.507 5.858 50 0 GKAARN Cc1ccc2oc(-c3ccc(NC(=O)c4cccc5ccccc54)c(C)c3)nc2c1 ZINC000002059416 212262767 /nfs/dbraw/zinc/26/27/67/212262767.db2.gz PVTZFOALNLVDRB-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN CCCC1CCC(c2ccc(C(=O)Oc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000002024654 212262258 /nfs/dbraw/zinc/26/22/58/212262258.db2.gz IKKPUKSMLHPNTC-UHFFFAOYSA-N 0 0 391.338 7.287 50 0 GKAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000002052448 212262304 /nfs/dbraw/zinc/26/23/04/212262304.db2.gz PBGGOCMZLCXKKG-LLVKDONJSA-N 0 0 381.328 5.634 50 0 GKAARN CCCC(=O)OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001912313 212260570 /nfs/dbraw/zinc/26/05/70/212260570.db2.gz KAHHXNYUTLPBAK-UHFFFAOYSA-N 0 0 383.879 5.096 50 0 GKAARN CCCOc1ccc(/C=C/C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC ZINC000001910550 212260712 /nfs/dbraw/zinc/26/07/12/212260712.db2.gz LSYPHJWVPQBQGM-VQHVLOKHSA-N 0 0 389.879 5.106 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(Cl)c1 ZINC000001924927 212260514 /nfs/dbraw/zinc/26/05/14/212260514.db2.gz WLCZOJKOFMIGSE-UHFFFAOYSA-N 0 0 385.872 5.498 50 0 GKAARN CCCCOC(=O)c1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000001910379 212259962 /nfs/dbraw/zinc/25/99/62/212259962.db2.gz QTIYWYPNFJVXOJ-UHFFFAOYSA-N 0 0 381.501 5.271 50 0 GKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(F)c1 ZINC000001927536 212259757 /nfs/dbraw/zinc/25/97/57/212259757.db2.gz MSECKRVECSTLRK-UHFFFAOYSA-N 0 0 387.407 5.122 50 0 GKAARN CN(C)c1ccc(C(=O)O[C@H](C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001851733 212258878 /nfs/dbraw/zinc/25/88/78/212258878.db2.gz WQUCXRRRPFZSGN-QFIPXVFZSA-N 0 0 393.870 5.187 50 0 GKAARN O=c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2o1 ZINC000001893468 212258595 /nfs/dbraw/zinc/25/85/95/212258595.db2.gz MPQONOUZSGMNLN-UHFFFAOYSA-N 0 0 397.257 6.346 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1Cl ZINC000001859553 212258420 /nfs/dbraw/zinc/25/84/20/212258420.db2.gz 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COC(=O)c1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)n1 ZINC000002030826 212261619 /nfs/dbraw/zinc/26/16/19/212261619.db2.gz MKYXTBDWDBVEGX-UHFFFAOYSA-N 0 0 395.462 5.649 50 0 GKAARN Cc1ccc2oc(=O)c(-c3ccccc3)c(-c3cnn(-c4ccccc4)c3)c2c1 ZINC000002051025 212261640 /nfs/dbraw/zinc/26/16/40/212261640.db2.gz MDXISNZUBKXEEO-UHFFFAOYSA-N 0 0 378.431 5.621 50 0 GKAARN CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000002050791 212261398 /nfs/dbraw/zinc/26/13/98/212261398.db2.gz GIJWDOOCGPCGKE-UHFFFAOYSA-N 0 0 388.492 6.004 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)c(C)c1 ZINC000001510115 212249500 /nfs/dbraw/zinc/24/95/00/212249500.db2.gz VRYNVEOQSRCBPK-UHFFFAOYSA-N 0 0 387.302 5.442 50 0 GKAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1cc(Br)cs1 ZINC000001511371 212248819 /nfs/dbraw/zinc/24/88/19/212248819.db2.gz UEFKCMHSJKMRKY-CXUHLZMHSA-N 0 0 384.254 5.008 50 0 GKAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001505784 212248254 /nfs/dbraw/zinc/24/82/54/212248254.db2.gz 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CCc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3cc(C)ccc3n2)cc1 ZINC000001459188 212245587 /nfs/dbraw/zinc/24/55/87/212245587.db2.gz DDKPNPQXUYRBJK-ROUUACIJSA-N 0 0 388.511 5.022 50 0 GKAARN Cc1cccc2c(C)nc(Nc3nc4c(c(-c5ccccc5)n3)CCCC4)nc12 ZINC000001459771 212246124 /nfs/dbraw/zinc/24/61/24/212246124.db2.gz BIWUNSKSPYPLSV-UHFFFAOYSA-N 0 0 381.483 5.326 50 0 GKAARN O=C(C[C@@H](SCc1ccco1)c1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000001463366 212245914 /nfs/dbraw/zinc/24/59/14/212245914.db2.gz LFNOMXVCDUDFDZ-GOSISDBHSA-N 0 0 380.387 6.139 50 0 GKAARN O=C(CSC1=NC(=Cc2ccccc2)C(=O)N1c1ccccc1)c1ccccc1 ZINC000001440137 212245043 /nfs/dbraw/zinc/24/50/43/212245043.db2.gz HRSVYYXARJSMQJ-LTGZKZEYSA-N 0 0 398.487 5.046 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(OC(=S)N(CC(C)C)CC(C)C)cc1 ZINC000001434842 212244725 /nfs/dbraw/zinc/24/47/25/212244725.db2.gz RSGBAEBMWJSRKA-UHFFFAOYSA-N 0 0 398.572 5.525 50 0 GKAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000001418797 212243631 /nfs/dbraw/zinc/24/36/31/212243631.db2.gz QRLLZJXJIVGODE-UHFFFAOYSA-N 0 0 394.474 5.504 50 0 GKAARN O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000001425960 212242974 /nfs/dbraw/zinc/24/29/74/212242974.db2.gz XKGRUXOJDRYNMZ-AREMUKBSSA-N 0 0 393.442 5.333 50 0 GKAARN Fc1cccc(F)c1-c1nc(-c2cc(-c3ccccc3)oc2-n2cccc2)no1 ZINC000001398846 212242294 /nfs/dbraw/zinc/24/22/94/212242294.db2.gz TVZNOXNOMLKSMU-UHFFFAOYSA-N 0 0 389.361 5.733 50 0 GKAARN COc1ccc(Oc2nc(SCc3ccccc3)nc3ccsc32)cc1 ZINC000001398465 212242347 /nfs/dbraw/zinc/24/23/47/212242347.db2.gz RFPOGRDBXWEDET-UHFFFAOYSA-N 0 0 380.494 5.785 50 0 GKAARN CCNC(=O)Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000001385667 212241871 /nfs/dbraw/zinc/24/18/71/212241871.db2.gz DWGDWYIKRRIEKI-UHFFFAOYSA-N 0 0 375.803 5.046 50 0 GKAARN COc1cccc(CNc2cc(CSc3ccc(Cl)cc3)nc(C)n2)c1 ZINC000001388905 212241713 /nfs/dbraw/zinc/24/17/13/212241713.db2.gz ZLLOXKFTLMFIQW-UHFFFAOYSA-N 0 0 385.920 5.351 50 0 GKAARN O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCCCC1 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CCN(C(=O)Nc1ccccc1F)c1nnc(-c2ccc(Cl)cc2)s1 ZINC000001297186 212234433 /nfs/dbraw/zinc/23/44/33/212234433.db2.gz UZPKQXXBQHZSDT-UHFFFAOYSA-N 0 0 376.844 5.056 50 0 GKAARN COc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 ZINC000001273663 212234333 /nfs/dbraw/zinc/23/43/33/212234333.db2.gz LRGBCWCWGPWPEG-UHFFFAOYSA-N 0 0 395.271 5.165 50 0 GKAARN CCC(=O)N(CC[C@@H](c1ccco1)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000001302569 212234358 /nfs/dbraw/zinc/23/43/58/212234358.db2.gz OGCGXNDCFLBNLI-JOCHJYFZSA-N 0 0 395.474 5.388 50 0 GKAARN O=C(Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21)c1ccccc1 ZINC000001300613 212234227 /nfs/dbraw/zinc/23/42/27/212234227.db2.gz PZRIDLMMMAFYQY-UHFFFAOYSA-N 0 0 391.430 5.809 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Cl ZINC000001264799 212234024 /nfs/dbraw/zinc/23/40/24/212234024.db2.gz YFOVNUJZENUDDN-UHFFFAOYSA-N 0 0 382.813 5.520 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc(Cl)ccc1Cl ZINC000001244041 212231831 /nfs/dbraw/zinc/23/18/31/212231831.db2.gz 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ZINC000002398090 212145113 /nfs/dbraw/zinc/14/51/13/212145113.db2.gz KLZRHRYPIGBORP-UHFFFAOYSA-N 0 0 392.454 6.501 50 0 GKAARN COc1ccc(-c2coc3c2cc2c(-c4ccccc4)cc(=O)oc2c3C)cc1 ZINC000002101408 212144850 /nfs/dbraw/zinc/14/48/50/212144850.db2.gz JMPUVZYOGOKRSI-UHFFFAOYSA-N 0 0 382.415 6.190 50 0 biogenic GKAARN Cc1ccc(-c2coc3cc4oc(=O)c(Cc5ccccc5)c(C)c4cc32)cc1 ZINC000002087461 212144609 /nfs/dbraw/zinc/14/46/09/212144609.db2.gz AWLFMYMGOUBSPG-UHFFFAOYSA-N 0 0 380.443 6.414 50 0 biogenic GKAARN CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccco1 ZINC000001321647 212144661 /nfs/dbraw/zinc/14/46/61/212144661.db2.gz QZAKTTPJCPDBEO-RPWUZVMVSA-N 0 0 383.532 5.100 50 0 biogenic GKAARN CC(C)=CCC/C(C)=C/COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000002094633 212144182 /nfs/dbraw/zinc/14/41/82/212144182.db2.gz ZLQQYXZGBYLQNO-XDJHFCHBSA-N 0 0 388.507 6.840 50 0 biogenic GKAARN Cc1oc2cc(OCc3c(F)cccc3Cl)ccc2c(=O)c1-c1ccccc1 ZINC000002402878 212144065 /nfs/dbraw/zinc/14/40/65/212144065.db2.gz AYACFARTDQHPFZ-UHFFFAOYSA-N 0 0 394.829 6.140 50 0 GKAARN CC(C)(C)C(=O)Oc1ccc2c(c1)occ(-c1nc3ccccc3s1)c2=O ZINC000001447899 212143994 /nfs/dbraw/zinc/14/39/94/212143994.db2.gz AOWGIQBPJHLPEE-UHFFFAOYSA-N 0 0 379.437 5.021 50 0 GKAARN CCOc1ccccc1NCc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002112805 212144006 /nfs/dbraw/zinc/14/40/06/212144006.db2.gz PHIZQOIVGJTMPE-UHFFFAOYSA-N 0 0 387.435 5.176 50 0 biogenic GKAARN CCOC(=O)c1c2cc(OC(=O)c3ccccc3F)ccc2oc1C(C)(C)C ZINC000001448009 212143763 /nfs/dbraw/zinc/14/37/63/212143763.db2.gz LPPJMAFTWMSQDJ-UHFFFAOYSA-N 0 0 384.403 5.265 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000253498517 212137185 /nfs/dbraw/zinc/13/71/85/212137185.db2.gz DIYGODQITXZLQE-SQVGHHIUSA-N 0 0 396.571 5.616 50 0 biogenic GKAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000253498990 212137590 /nfs/dbraw/zinc/13/75/90/212137590.db2.gz BGSWILYBWIQYKQ-WUXPCJCZSA-N 0 0 394.555 5.536 50 0 biogenic GKAARN C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 ZINC000019897572 212111015 /nfs/dbraw/zinc/11/10/15/212111015.db2.gz MVATYZASHIXZEL-XANCMCCPSA-N 0 0 384.479 5.612 50 0 GKAARN O=C1CC[C@H](c2c3ccccc3[nH]c2-c2ccc(F)cc2)N1Cc1ccccc1 ZINC000334163450 212109564 /nfs/dbraw/zinc/10/95/64/212109564.db2.gz SMFWFPUSBXGJAX-JOCHJYFZSA-N 0 0 384.454 5.838 50 0 GKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)Oc1ccc(Cl)c(Cl)c1 ZINC000002156472 212101182 /nfs/dbraw/zinc/10/11/82/212101182.db2.gz XYRVEHNPRFKMBV-UHFFFAOYSA-N 0 0 385.461 6.565 50 0 GKAARN O=C(Nc1cccc(Br)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000004542691 212080114 /nfs/dbraw/zinc/08/01/14/212080114.db2.gz PKXGVTYIRGRCGX-UHFFFAOYSA-N 0 0 376.637 5.615 50 0 GKAARN O=C(CCc1ccc(-c2ccc(Br)cc2)o1)Nc1ccc(F)cc1 ZINC000004542708 212079720 /nfs/dbraw/zinc/07/97/20/212079720.db2.gz CTFXPHRNUBZSAL-UHFFFAOYSA-N 0 0 388.236 5.420 50 0 GKAARN O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1C(F)(F)F ZINC000004541817 212079823 /nfs/dbraw/zinc/07/98/23/212079823.db2.gz KDBVDBDOXCDBRJ-UHFFFAOYSA-N 0 0 393.792 6.190 50 0 GKAARN Cc1nc2cc(C(=O)N(Cc3ccccc3C)C3CC3)ccc2n1-c1ccccc1 ZINC000328593242 212082144 /nfs/dbraw/zinc/08/21/44/212082144.db2.gz XDYQDVRSTOEWJH-UHFFFAOYSA-N 0 0 395.506 5.447 50 0 GKAARN CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)S(=O)(=O)c1cccc(N)c1 ZINC000005193439 212082009 /nfs/dbraw/zinc/08/20/09/212082009.db2.gz VYJVIHHSUCRCLI-PMACEKPBSA-N 0 0 396.641 5.692 50 0 GKAARN Cc1ccc(-c2nnc(CSc3nc4c(cc(Cl)cc4Cl)o3)o2)o1 ZINC000096191884 212074391 /nfs/dbraw/zinc/07/43/91/212074391.db2.gz FPJQWTWZWORECR-UHFFFAOYSA-N 0 0 382.228 5.378 50 0 GKAARN C/N=c1/scc(-c2ccc(OC)cc2)n1CCc1c[nH]c2ccc(Cl)cc12 ZINC000101379400 212069156 /nfs/dbraw/zinc/06/91/56/212069156.db2.gz WCKXRMTUSUQXPF-XTQSDGFTSA-N 0 0 397.931 5.133 50 0 GKAARN Cc1ccc(-c2nc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n[nH]2)cc1 ZINC000003074945 212063813 /nfs/dbraw/zinc/06/38/13/212063813.db2.gz SEKBYWVLHZWZIG-UHFFFAOYSA-N 0 0 397.503 5.326 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=S)Nc2ccc(C)cc2)C1(C)C ZINC000001404499 212061057 /nfs/dbraw/zinc/06/10/57/212061057.db2.gz AXSPFAFQZCVKTR-KNQAVFIVSA-N 0 0 391.584 5.901 50 0 GKAARN Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1 ZINC000001415861 212060689 /nfs/dbraw/zinc/06/06/89/212060689.db2.gz FBOHUSPCPCMHGJ-UHFFFAOYSA-N 0 0 397.301 5.008 50 0 GKAARN Cc1c(C(=O)OC(C)(C)C)c2cc(O)c3ccccc3c2n1Cc1ccco1 ZINC000055142464 212058946 /nfs/dbraw/zinc/05/89/46/212058946.db2.gz ZWLHYFIRVQUQIG-UHFFFAOYSA-N 0 0 377.440 5.405 50 0 biogenic,in-vitro GKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)pc(-c3ccc(F)cc3)c2)cc1 ZINC000071784997 212057180 /nfs/dbraw/zinc/05/71/80/212057180.db2.gz NBSAGIASDUYNCD-UHFFFAOYSA-N 0 0 378.333 7.685 50 0 GKAARN COc1cccc(Sc2ccnc(-c3ncc(C(F)(F)F)cc3Cl)n2)c1 ZINC000261495032 212031115 /nfs/dbraw/zinc/03/11/15/212031115.db2.gz RFPOZIROXOHJSS-UHFFFAOYSA-N 0 0 397.809 5.371 50 0 GKAARN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000004793550 212031158 /nfs/dbraw/zinc/03/11/58/212031158.db2.gz RYCIQDGMQMNRPY-UHFFFAOYSA-N 0 0 394.110 5.427 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257350522 212029620 /nfs/dbraw/zinc/02/96/20/212029620.db2.gz YBFVORMYYORQQA-HUQBXZINSA-N 0 0 388.680 7.469 50 0 GKAARN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CCC(=O)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000257350096 212029627 /nfs/dbraw/zinc/02/96/27/212029627.db2.gz USIJSSKINMDISQ-BKFCCKTKSA-N 0 0 384.648 7.287 50 0 GKAARN FC(F)(F)c1cnc(Sc2nc(Cl)cc(C(F)(F)F)n2)c(Cl)c1 ZINC000261494896 212029477 /nfs/dbraw/zinc/02/94/77/212029477.db2.gz QULKGNXBIVRLPX-UHFFFAOYSA-N 0 0 394.127 5.367 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H](O)CCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348510 212029146 /nfs/dbraw/zinc/02/91/46/212029146.db2.gz GMYIQXIETNKRRM-IMOWXYLUSA-N 0 0 388.680 7.469 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257355344 212029160 /nfs/dbraw/zinc/02/91/60/212029160.db2.gz AHWOEMBXZXGDBQ-LLPNZQFFSA-N 0 0 396.659 7.619 50 0 GKAARN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257348385 212028955 /nfs/dbraw/zinc/02/89/55/212028955.db2.gz FFLCKIGPXUHXHP-GOOQZAMLSA-N 0 0 398.675 7.843 50 0 GKAARN COc1ccc(OC)c(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000004795799 212030792 /nfs/dbraw/zinc/03/07/92/212030792.db2.gz BIMLGUZZXWGNPE-UHFFFAOYSA-N 0 0 376.623 5.275 50 0 GKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@]21C ZINC000257355554 212030087 /nfs/dbraw/zinc/03/00/87/212030087.db2.gz BEQJXDZPPMABOO-ZZCPELBFSA-N 0 0 388.592 5.372 50 0 GKAARN Cc1ccc(S(=O)(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000004797787 203753587 /nfs/dbraw/zinc/75/35/87/203753587.db2.gz DGPUSUIIDRLHAV-UHFFFAOYSA-N 0 0 398.527 5.761 50 0 GKAARN Clc1ccc(OCCOCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000002173258 203778029 /nfs/dbraw/zinc/77/80/29/203778029.db2.gz MKNRBGOGSOUBJY-UHFFFAOYSA-N 0 0 396.097 5.775 50 0 GKAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000009135135 203841135 /nfs/dbraw/zinc/84/11/35/203841135.db2.gz MGLCKLRYZLLQEP-UHFFFAOYSA-N 0 0 378.815 5.259 50 0 GKAARN Cc1oc2cc(OCC(=O)c3ccccc3)ccc2c(=O)c1Oc1ccccc1 ZINC000000627901 203842243 /nfs/dbraw/zinc/84/22/43/203842243.db2.gz GZLAAOINYVJLOL-UHFFFAOYSA-N 0 0 386.403 5.155 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccc3ccccc3c12 ZINC000000632556 203843145 /nfs/dbraw/zinc/84/31/45/203843145.db2.gz RWMITRFMZVTNTP-UHFFFAOYSA-N 0 0 377.827 5.154 50 0 GKAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)c1ccc2ccccc2c1 ZINC000000644480 203844512 /nfs/dbraw/zinc/84/45/12/203844512.db2.gz YMHCDXQMONSKBG-UHFFFAOYSA-N 0 0 395.458 5.307 50 0 GKAARN C[C@@H](Sc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)OCc1ccccc1 ZINC000000645424 203844906 /nfs/dbraw/zinc/84/49/06/203844906.db2.gz BYLHQTYICVHVFS-ZIAGYGMSSA-N 0 0 398.553 5.040 50 0 GKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000657173 203845113 /nfs/dbraw/zinc/84/51/13/203845113.db2.gz LFUUUISICZOMAU-MRXNPFEDSA-N 0 0 380.875 5.798 50 0 GKAARN Cc1cc(C(F)F)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c21 ZINC000000657213 203845566 /nfs/dbraw/zinc/84/55/66/203845566.db2.gz WUMZZNDZNNNXJP-UHFFFAOYSA-N 0 0 387.238 5.662 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1OC ZINC000000657344 203845790 /nfs/dbraw/zinc/84/57/90/203845790.db2.gz SCWNYPZKJNTNLL-FYWRMAATSA-N 0 0 375.424 5.148 50 0 GKAARN Cc1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000001447950 203822922 /nfs/dbraw/zinc/82/29/22/203822922.db2.gz LUMRYSPMWNEMOY-UHFFFAOYSA-N 0 0 396.851 5.703 50 0 GKAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC=C(C)C)cc43)oc21 ZINC000004586261 203824679 /nfs/dbraw/zinc/82/46/79/203824679.db2.gz WIHLFSIRXLAPAO-UHFFFAOYSA-N 0 0 390.435 5.868 50 0 biogenic GKAARN Cc1c2ccc(NC(=O)c3ccccc3Cl)cc2oc1C(=O)c1ccccc1 ZINC000009659914 203826697 /nfs/dbraw/zinc/82/66/97/203826697.db2.gz 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204158098 /nfs/dbraw/zinc/15/80/98/204158098.db2.gz PGGIIOXWVBFEJQ-VXKWHMMOSA-N 0 0 396.660 5.992 50 0 GKAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1Br ZINC000005938428 204158434 /nfs/dbraw/zinc/15/84/34/204158434.db2.gz APEFKPQZRHPGRC-UHFFFAOYSA-N 0 0 380.285 5.528 50 0 GKAARN CCc1cccc(CC)c1N1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000006179726 204170085 /nfs/dbraw/zinc/17/00/85/204170085.db2.gz BZEMNVXGPFTKAI-UHFFFAOYSA-N 0 0 378.328 5.655 50 0 GKAARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000006204252 204170115 /nfs/dbraw/zinc/17/01/15/204170115.db2.gz RFOPHCCYRTZCTD-UHFFFAOYSA-N 0 0 385.488 6.292 50 0 GKAARN Cc1ccsc1C(=O)O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000005967135 204160434 /nfs/dbraw/zinc/16/04/34/204160434.db2.gz ZYVAOHZRNLCBNG-IBGZPJMESA-N 0 0 379.481 5.210 50 0 GKAARN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 ZINC000006034937 204161850 /nfs/dbraw/zinc/16/18/50/204161850.db2.gz WIXGSQYWUXDTOD-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(F)c1)O2 ZINC000006048368 204162454 /nfs/dbraw/zinc/16/24/54/204162454.db2.gz HWULAMYDBFJQKH-VWNXMTODSA-N 0 0 388.442 5.467 50 0 GKAARN Clc1cc(Cl)c2ncnc(OCc3ccc(Br)cc3)c2c1 ZINC000006053840 204162487 /nfs/dbraw/zinc/16/24/87/204162487.db2.gz IHMKLBVKPQPELI-UHFFFAOYSA-N 0 0 384.060 5.278 50 0 GKAARN Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000006040809 204163026 /nfs/dbraw/zinc/16/30/26/204163026.db2.gz SIPOLLWMVCMMEI-UHFFFAOYSA-N 0 0 399.493 7.455 50 0 GKAARN CCCCOc1ccc(-c2nnc(-c3ccccc3Br)s2)cc1 ZINC000006203981 204170236 /nfs/dbraw/zinc/17/02/36/204170236.db2.gz RWLFHYOICCWJGK-UHFFFAOYSA-N 0 0 389.318 5.814 50 0 GKAARN Cc1cc(OCC(=O)Nc2ncc(Cl)cc2Cl)c(C(C)C)cc1Cl ZINC000006083817 204163873 /nfs/dbraw/zinc/16/38/73/204163873.db2.gz VFEDBBGBBHORHA-UHFFFAOYSA-N 0 0 387.694 5.491 50 0 GKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1cccc(Oc2ccccc2)c1 ZINC000006085274 204164512 /nfs/dbraw/zinc/16/45/12/204164512.db2.gz SMZNFLBWRAWVQZ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/13/25/60/204132560.db2.gz NSZXRZQSTUNOIO-UHFFFAOYSA-N 0 0 385.366 5.098 50 0 GKAARN Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccccc3Cl)oc12 ZINC000005452160 204133172 /nfs/dbraw/zinc/13/31/72/204133172.db2.gz XMICDRXANGHGLZ-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN Clc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3nc4ccccc4n32)cc1 ZINC000005457312 204133225 /nfs/dbraw/zinc/13/32/25/204133225.db2.gz KLNXWHDMRJSQCS-CTNGQTDRSA-N 0 0 394.305 6.489 50 0 GKAARN O=C(Nc1nonc1-c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000005451978 204133517 /nfs/dbraw/zinc/13/35/17/204133517.db2.gz YIHQCPIJUOTIIX-UHFFFAOYSA-N 0 0 389.842 5.161 50 0 GKAARN CCc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 ZINC000005460075 204133852 /nfs/dbraw/zinc/13/38/52/204133852.db2.gz CRALDRDYIVZISS-JTHBVZDNSA-N 0 0 387.914 6.398 50 0 GKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2cc(C)cc(C)c2)n1 ZINC000005478178 204134521 /nfs/dbraw/zinc/13/45/21/204134521.db2.gz IKPFZECMUYRGEH-UHFFFAOYSA-N 0 0 391.496 5.286 50 0 GKAARN CCOc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000005464926 204134838 /nfs/dbraw/zinc/13/48/38/204134838.db2.gz VZTFEWDPQDNRCH-UHFFFAOYSA-N 0 0 389.480 5.252 50 0 GKAARN CC(C)c1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1 ZINC000005461191 204134927 /nfs/dbraw/zinc/13/49/27/204134927.db2.gz PDEMWRQRXNPOBF-VWNXMTODSA-N 0 0 385.486 6.445 50 0 GKAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000005478451 204135004 /nfs/dbraw/zinc/13/50/04/204135004.db2.gz NWOLFDHNUWSTHS-UHFFFAOYSA-N 0 0 397.887 5.323 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 ZINC000005498210 204135645 /nfs/dbraw/zinc/13/56/45/204135645.db2.gz OIMYTYAFFRHMHQ-UHFFFAOYSA-N 0 0 380.831 5.001 50 0 GKAARN COc1ccccc1OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000005506060 204136102 /nfs/dbraw/zinc/13/61/02/204136102.db2.gz FRWXROXPZYQFRB-UHFFFAOYSA-N 0 0 389.838 5.783 50 0 GKAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)CCCC3 ZINC000005516104 204137665 /nfs/dbraw/zinc/13/76/65/204137665.db2.gz 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204141016 /nfs/dbraw/zinc/14/10/16/204141016.db2.gz VLVAYIINLIXGRU-UHFFFAOYSA-N 0 0 383.879 5.259 50 0 aggregator GKAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl ZINC000005594447 204141043 /nfs/dbraw/zinc/14/10/43/204141043.db2.gz FSNVVUNBQXCRFE-UHFFFAOYSA-N 0 0 375.280 5.273 50 0 GKAARN FC(F)(F)c1ccc(Cl)c(N2C(=S)N=NC2[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000005593947 204141275 /nfs/dbraw/zinc/14/12/75/204141275.db2.gz ZYUXKGDCCODIMB-QWHCGFSZSA-N 0 0 395.837 5.499 50 0 GKAARN CCOc1ccc(-n2c3c(c(=S)nc2-c2ccc(OC)cc2)CCCC3)cc1 ZINC000005584994 204141503 /nfs/dbraw/zinc/14/15/03/204141503.db2.gz FZCHVLDFKNOTPV-UHFFFAOYSA-N 0 0 392.524 5.555 50 0 GKAARN CC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)n2ccc3ccccc3c12 ZINC000005613422 204143271 /nfs/dbraw/zinc/14/32/71/204143271.db2.gz GOXRRGRAEYFEAC-UHFFFAOYSA-N 0 0 382.246 5.833 50 0 GKAARN Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl ZINC000005669956 204145315 /nfs/dbraw/zinc/14/53/15/204145315.db2.gz VZJAKVMJNYNVGM-UHFFFAOYSA-N 0 0 380.662 5.300 50 0 GKAARN O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1Cc1ccccc1 ZINC000006789276 204205378 /nfs/dbraw/zinc/20/53/78/204205378.db2.gz VAEWURCMOBREOG-ACCUITESSA-N 0 0 382.257 5.285 50 0 GKAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000006788408 204206143 /nfs/dbraw/zinc/20/61/43/204206143.db2.gz PXVGPLCVHZPDGH-FQEVSTJZSA-N 0 0 376.525 5.163 50 0 GKAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(OCc2ccccc2)cc1 ZINC000006789473 204206286 /nfs/dbraw/zinc/20/62/86/204206286.db2.gz PEENTTWYABBTCI-UHFFFAOYSA-N 0 0 390.464 5.138 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)NCc2cccnc2)c2cccc(Cl)c2n1 ZINC000006789867 204206319 /nfs/dbraw/zinc/20/63/19/204206319.db2.gz KYOKVCLTQRPAAK-UHFFFAOYSA-N 0 0 387.870 5.189 50 0 GKAARN Cc1c(C(=O)Nc2ccc(C)cc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793773 204206953 /nfs/dbraw/zinc/20/69/53/204206953.db2.gz SZMYTJATAJANAQ-UHFFFAOYSA-N 0 0 389.451 5.580 50 0 biogenic GKAARN O=C([O-])c1c(C[NH2+]C2CCCCCC2)c2ccccc2n1Cc1cccc(F)c1 ZINC000006794120 204206979 /nfs/dbraw/zinc/20/69/79/204206979.db2.gz 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O=C(Oc1cc2sc(=O)oc2c(-c2ccc(Cl)cc2)c1)c1cccs1 ZINC000006809705 204210194 /nfs/dbraw/zinc/21/01/94/204210194.db2.gz ZVYCGWFFJUKMQF-UHFFFAOYSA-N 0 0 388.853 5.456 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccc(C)cc4)oc3ccc2O1 ZINC000006808117 204210647 /nfs/dbraw/zinc/21/06/47/204210647.db2.gz KTLDRLIIWIUNKN-HSZRJFAPSA-N 0 0 377.440 5.436 50 0 GKAARN COc1ccc(-c2c(C)nn3c2nc(-c2ccccc2)cc3-c2ccccc2)cc1 ZINC000006809406 204210845 /nfs/dbraw/zinc/21/08/45/204210845.db2.gz YXCHNYPNSVOAIA-UHFFFAOYSA-N 0 0 391.474 6.047 50 0 GKAARN CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc(C)cc3)c(C)c2c1 ZINC000006810713 204210877 /nfs/dbraw/zinc/21/08/77/204210877.db2.gz PFPLOYVULIBQGO-UHFFFAOYSA-N 0 0 387.479 6.048 50 0 GKAARN Cc1ccc(-c2cc3n(n2)[C@H](c2ccccc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000006817768 204211386 /nfs/dbraw/zinc/21/13/86/204211386.db2.gz JHHBLPNRVZLGFO-VWLOTQADSA-N 0 0 377.491 6.223 50 0 GKAARN Cc1ccc(-c2cc3n(n2)[C@@H](c2ccccc2)CC(c2ccc(C)cc2)=N3)cc1 ZINC000006817770 204212181 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CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000006838099 204213856 /nfs/dbraw/zinc/21/38/56/204213856.db2.gz HXDQNBBGOUFXHU-FQEVSTJZSA-N 0 0 380.919 5.528 50 0 GKAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)C2CCCC2)c(C)c1 ZINC000006836703 204214017 /nfs/dbraw/zinc/21/40/17/204214017.db2.gz PIZWWGOBHONTTD-HSZRJFAPSA-N 0 0 394.540 5.211 50 0 GKAARN CC(C)(C)CC(=O)Nc1nnc(SCc2ccc(C(C)(C)C)cc2)s1 ZINC000006834545 204214036 /nfs/dbraw/zinc/21/40/36/204214036.db2.gz CGCSKMXLUUSADH-UHFFFAOYSA-N 0 0 377.579 5.503 50 0 GKAARN Cc1ccc(Cl)c(NC(=O)CCCSC/C=C/c2ccccc2)c1Cl ZINC000006844115 204215533 /nfs/dbraw/zinc/21/55/33/204215533.db2.gz MCFFHBOJAAFPRK-WEVVVXLNSA-N 0 0 394.367 6.467 50 0 GKAARN Fc1ccc(-c2csc(Sc3ncnc4sc5c(c43)CCCC5)n2)cc1 ZINC000006862252 204215845 /nfs/dbraw/zinc/21/58/45/204215845.db2.gz VFOZCWNBSSPLPZ-UHFFFAOYSA-N 0 0 399.541 5.984 50 0 GKAARN Cc1ccccc1CSc1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000006867314 204216656 /nfs/dbraw/zinc/21/66/56/204216656.db2.gz 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O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1cccc(Cl)c1 ZINC000067260750 205243489 /nfs/dbraw/zinc/24/34/89/205243489.db2.gz ARDNVDVCAIXVFG-UHFFFAOYSA-N 0 0 385.854 5.018 50 0 GKAARN Clc1ccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)cc1 ZINC000067284768 205244202 /nfs/dbraw/zinc/24/42/02/205244202.db2.gz CWMNWCRCFSZBOX-UHFFFAOYSA-N 0 0 386.886 5.343 50 0 GKAARN Cc1ccc(-c2cc3c4nnc(SCc5ccccc5C)n4ccn3n2)cc1C ZINC000067260610 205244239 /nfs/dbraw/zinc/24/42/39/205244239.db2.gz GKJURFKKJMGCLO-UHFFFAOYSA-N 0 0 399.523 5.262 50 0 GKAARN C[C@@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21)c1ccc(F)cc1 ZINC000067288507 205244294 /nfs/dbraw/zinc/24/42/94/205244294.db2.gz QSSKGNRZCMRFRY-OAHLLOKOSA-N 0 0 395.453 5.312 50 0 GKAARN C[C@@H](Nc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12)c1ccccc1 ZINC000067261500 205244720 /nfs/dbraw/zinc/24/47/20/205244720.db2.gz LADHDDWUDAHNLP-OAHLLOKOSA-N 0 0 399.885 5.771 50 0 GKAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 ZINC000067259429 205244731 /nfs/dbraw/zinc/24/47/31/205244731.db2.gz 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C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)Nc1ccccc1Cl ZINC000032778842 206092080 /nfs/dbraw/zinc/09/20/80/206092080.db2.gz XHNVVGQJTRXWHC-ZDUSSCGKSA-N 0 0 388.945 5.724 50 0 GKAARN O=C(CCc1ccc(OC(F)F)cc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032769214 206093074 /nfs/dbraw/zinc/09/30/74/206093074.db2.gz JIGADCLWUXWOTN-UHFFFAOYSA-N 0 0 398.453 5.108 50 0 GKAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000032895167 206094165 /nfs/dbraw/zinc/09/41/65/206094165.db2.gz BPSUBGCGMRTWHT-JOCHJYFZSA-N 0 0 387.479 5.348 50 0 GKAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000032895248 206094437 /nfs/dbraw/zinc/09/44/37/206094437.db2.gz MCZPTCAMTIHTEU-UHFFFAOYSA-N 0 0 391.421 5.371 50 0 GKAARN C[C@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccccc1F ZINC000032868656 206094730 /nfs/dbraw/zinc/09/47/30/206094730.db2.gz OZPSWXMHOXDBAM-ZDUSSCGKSA-N 0 0 393.443 5.148 50 0 GKAARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc2oc3ccccc3c2c1 ZINC000032740579 206095094 /nfs/dbraw/zinc/09/50/94/206095094.db2.gz 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206138983 /nfs/dbraw/zinc/13/89/83/206138983.db2.gz NOSGYGLPTRYOMJ-NQIIRXRSSA-N 0 0 396.899 5.652 50 0 GKAARN CCOc1ccccc1-c1nc(-c2ccc(CC[C@H](C)NC(C)=O)cc2)cs1 ZINC000242288028 206129916 /nfs/dbraw/zinc/12/99/16/206129916.db2.gz YKMZODVUDAZRBX-INIZCTEOSA-N 0 0 394.540 5.333 50 0 GKAARN Cc1cccc(C)c1NC(=O)CCCSCc1coc(-c2ccccc2)n1 ZINC000012745290 211686965 /nfs/dbraw/zinc/68/69/65/211686965.db2.gz QTTPJERETZEDQZ-UHFFFAOYSA-N 0 0 380.513 5.611 50 0 GKAARN CCOc1ccc(Oc2ccccc2NC(=O)CCc2ccccc2F)cc1 ZINC000012600041 211685149 /nfs/dbraw/zinc/68/51/49/211685149.db2.gz BAHIPGPYSWDZJR-UHFFFAOYSA-N 0 0 379.431 5.588 50 0 GKAARN CCC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000254478221 206149823 /nfs/dbraw/zinc/14/98/23/206149823.db2.gz QXHDOQVAGZXDIH-XDXXUXDDSA-N 0 0 386.620 6.322 50 0 GKAARN Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441891 211682262 /nfs/dbraw/zinc/68/22/62/211682262.db2.gz RUIZXILYFCXQOD-UHFFFAOYSA-N 0 0 392.459 5.004 50 0 GKAARN COC1=CC2=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000257347438 206182588 /nfs/dbraw/zinc/18/25/88/206182588.db2.gz HZGAVSXFQLVPQO-ODCKSUFYSA-N 0 0 398.675 8.168 50 0 GKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257357884 206182992 /nfs/dbraw/zinc/18/29/92/206182992.db2.gz QOXPZVASXWSKKU-HTJNBLLKSA-N 0 0 398.675 7.411 50 0 GKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C=C(OC5CCCC5)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000257358897 206183007 /nfs/dbraw/zinc/18/30/07/206183007.db2.gz XAVRSHOUEXATJE-CNGGBCMRSA-N 0 0 382.588 6.607 50 0 GKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@@]21C ZINC000257355551 206183012 /nfs/dbraw/zinc/18/30/12/206183012.db2.gz BEQJXDZPPMABOO-BLFDKZMLSA-N 0 0 388.592 5.372 50 0 GKAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4C(C)(C)O)[C@@H]3CC[C@H]2C1 ZINC000257350137 206183079 /nfs/dbraw/zinc/18/30/79/206183079.db2.gz UZEXBXSWRSSIFN-YUNWAQRHSA-N 0 0 376.581 5.348 50 0 GKAARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]45C[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]21C)O5 ZINC000257349455 206183261 /nfs/dbraw/zinc/18/32/61/206183261.db2.gz OGFCLNUXHJXAOM-HQQCZVPESA-N 0 0 386.664 7.629 50 0 GKAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@]21C ZINC000257355553 206183325 /nfs/dbraw/zinc/18/33/25/206183325.db2.gz BEQJXDZPPMABOO-ZDAIGOEISA-N 0 0 388.592 5.372 50 0 GKAARN C[C@]12CCC[C@@H]1[C@@H]1[C@H](OC(=O)c3ccccc3)C[C@H]3C[C@H](O)CC[C@@]3(C)[C@@H]1CC2 ZINC000257350490 206183607 /nfs/dbraw/zinc/18/36/07/206183607.db2.gz XUOUHDBVBHWSFC-AGVIUPFISA-N 0 0 396.571 5.616 50 0 GKAARN FC(F)(F)c1cnc(-c2csc(Nc3ccccc3Cl)n2)c(Cl)c1 ZINC000263640014 206184266 /nfs/dbraw/zinc/18/42/66/206184266.db2.gz SWHLGNLHPQIMPP-UHFFFAOYSA-N 0 0 390.217 6.274 50 0 GKAARN CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000263615662 206184674 /nfs/dbraw/zinc/18/46/74/206184674.db2.gz DNVPQKQSNYMLRS-RBTLGCLTSA-N 0 0 396.659 7.331 50 0 GKAARN CCCC(=O)Nc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1 ZINC000263639940 206184720 /nfs/dbraw/zinc/18/47/20/206184720.db2.gz PEGJAZADMZMDKM-UHFFFAOYSA-N 0 0 381.785 5.412 50 0 GKAARN COc1ccc(C)nc1-c1cccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1 ZINC000299755009 206185390 /nfs/dbraw/zinc/18/53/90/206185390.db2.gz BNMBMXYFAKBSSP-NTKDMRAZSA-N 0 0 378.516 5.106 50 0 GKAARN COc1cccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1Cl ZINC000004542834 206227336 /nfs/dbraw/zinc/22/73/36/206227336.db2.gz BVWWALPTMMUPHU-UHFFFAOYSA-N 0 0 381.859 5.712 50 0 GKAARN CCc1cccc(CC)c1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004541824 206227790 /nfs/dbraw/zinc/22/77/90/206227790.db2.gz BZVOSRBVPDVCLK-UHFFFAOYSA-N 0 0 381.903 6.296 50 0 GKAARN Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccccc4)c3C2=O)c(C)c1 ZINC000001405786 206212879 /nfs/dbraw/zinc/21/28/79/206212879.db2.gz DGVASSBCYNUYON-UHFFFAOYSA-N 0 0 388.492 5.100 50 0 GKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)Nc2ccc(C)cc2)C1(C)C ZINC000003765646 206213372 /nfs/dbraw/zinc/21/33/72/206213372.db2.gz GOOCBQVMSVBIRG-SIKLNZKXSA-N 0 0 375.516 5.736 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000000640609 206248621 /nfs/dbraw/zinc/24/86/21/206248621.db2.gz XIPFYXZTLOGDHM-UHFFFAOYSA-N 0 0 386.234 5.835 50 0 GKAARN COc1ccc(NC(=O)Oc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000000640500 206248935 /nfs/dbraw/zinc/24/89/35/206248935.db2.gz GYOCUQFKAMGQII-UHFFFAOYSA-N 0 0 381.815 5.191 50 0 GKAARN Cc1ncc(CN2CCC[C@H]2c2ccc(C(=O)Nc3ccccc3)s2)s1 ZINC000023398530 206252228 /nfs/dbraw/zinc/25/22/28/206252228.db2.gz FHIBWWRPPQJWJA-KRWDZBQOSA-N 0 0 383.542 5.102 50 0 GKAARN O=c1c2ccccc2oc2c1C(c1ccccc1)c1c(oc3ccccc3c1=O)O2 ZINC000227173296 206260818 /nfs/dbraw/zinc/26/08/18/206260818.db2.gz FWJVQNPJRCTBPQ-UHFFFAOYSA-N 0 0 394.382 5.185 50 0 GKAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000009427042 211633160 /nfs/dbraw/zinc/63/31/60/211633160.db2.gz FQJMBYCZFHZWDJ-UHFFFAOYSA-N 0 0 398.256 5.066 50 0 GKAARN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Br)cc1 ZINC000005041442 211622763 /nfs/dbraw/zinc/62/27/63/211622763.db2.gz NUVCKUHVCHDHPW-UHFFFAOYSA-N 0 0 384.298 5.853 50 0 GKAARN FC(F)(F)c1ccccc1[C@H]1CC(c2ccccc2)=Nc2nc3ccccc3n21 ZINC000104058720 211616969 /nfs/dbraw/zinc/61/69/69/211616969.db2.gz ZWXCQLXYSLDQCY-OAQYLSRUSA-N 0 0 391.396 6.111 50 0 GKAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(Br)o3)ccc21 ZINC000002057622 211612627 /nfs/dbraw/zinc/61/26/27/211612627.db2.gz ZPGZDNVBXMNXJE-UHFFFAOYSA-N 0 0 383.245 5.422 50 0 aggregator GKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@H]2c1ccco1 ZINC000100632438 211606665 /nfs/dbraw/zinc/60/66/65/211606665.db2.gz JMPKNUNWGKSYNX-NRFANRHFSA-N 0 0 376.456 5.482 50 0 GKAARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1cc(Cl)sc1Cl ZINC000100837558 211607996 /nfs/dbraw/zinc/60/79/96/211607996.db2.gz NSBHFESLWAFBIL-LGMDPLHJSA-N 0 0 377.705 5.003 50 0 GKAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccccc1C(C)(C)C ZINC000008345651 211595191 /nfs/dbraw/zinc/59/51/91/211595191.db2.gz VDQWXVXVYZQIML-UHFFFAOYSA-N 0 0 381.907 5.443 50 0 GKAARN O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008040123 211594360 /nfs/dbraw/zinc/59/43/60/211594360.db2.gz XHHCHDISYBSKAX-HNNXBMFYSA-N 0 0 382.554 5.256 50 0 GKAARN Brc1ccc(Oc2ncnc3sccc32)c(Br)c1 ZINC000007781874 211588093 /nfs/dbraw/zinc/58/80/93/211588093.db2.gz NDCXLQNAWSQRMI-UHFFFAOYSA-N 0 0 386.068 5.009 50 0 GKAARN COc1ccc(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 ZINC000007614220 211587680 /nfs/dbraw/zinc/58/76/80/211587680.db2.gz FKWBSHQKMHEPAM-UHFFFAOYSA-N 0 0 399.324 5.368 50 0 GKAARN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)N[C@@H]4CCCC[C@H]4C)oc3ccc2O1 ZINC000245257936 206281815 /nfs/dbraw/zinc/28/18/15/206281815.db2.gz IMJYUAWITJKEPD-BZHBSQSBSA-N 0 0 383.488 5.184 50 0 GKAARN CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000006697336 211579172 /nfs/dbraw/zinc/57/91/72/211579172.db2.gz DXZKIPWTBQBQQJ-UHFFFAOYSA-N 0 0 383.087 5.064 50 0 GKAARN Cc1ccc(NC(=O)CSc2nnc(Nc3c(C)cccc3C)s2)cc1C ZINC000006334441 211575434 /nfs/dbraw/zinc/57/54/34/211575434.db2.gz YOHCVOBYKATLKP-UHFFFAOYSA-N 0 0 398.557 5.246 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000253498516 206284141 /nfs/dbraw/zinc/28/41/41/206284141.db2.gz DIYGODQITXZLQE-JBEGIAPASA-N 0 0 396.571 5.616 50 0 biogenic GKAARN c1ccc(-c2nnc(CSc3nc4ccccc4n3-c3ccccc3)o2)cc1 ZINC000005623467 211570800 /nfs/dbraw/zinc/57/08/00/211570800.db2.gz CHTXDZYWLMYMCE-UHFFFAOYSA-N 0 0 384.464 5.368 50 0 GKAARN Cc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)o1 ZINC000253500715 206284441 /nfs/dbraw/zinc/28/44/41/206284441.db2.gz MFWNSDZRXMNLKW-DWYZETJMSA-N 0 0 382.544 5.266 50 0 biogenic GKAARN Cc1noc(C)c1COc1c(=O)c2cc(Cl)ccc2oc1-c1ccccc1 ZINC000005606287 211570194 /nfs/dbraw/zinc/57/01/94/211570194.db2.gz VOOHUKPSUPGJDD-UHFFFAOYSA-N 0 0 381.815 5.297 50 0 GKAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000253498515 206284619 /nfs/dbraw/zinc/28/46/19/206284619.db2.gz DIYGODQITXZLQE-AEZWPFEZSA-N 0 0 396.571 5.616 50 0 biogenic GKAARN c1csc(-c2ccc([C@H]3CC(c4ccccc4)=NN3c3ccccc3)s2)c1 ZINC000004844138 211550173 /nfs/dbraw/zinc/55/01/73/211550173.db2.gz UFABTNDTYLLQFI-HXUWFJFHSA-N 0 0 386.545 6.832 50 0 GKAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc(C)ccc3C)c(Cl)c12 ZINC000004941138 211555292 /nfs/dbraw/zinc/55/52/92/211555292.db2.gz CDIZZIWAWPJHSI-UHFFFAOYSA-N 0 0 390.874 5.251 50 0 GKAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccc(F)cc4)o3)cs2)cc1 ZINC000004548576 211546172 /nfs/dbraw/zinc/54/61/72/211546172.db2.gz MZWMPESYJRWWOO-UHFFFAOYSA-N 0 0 383.473 5.600 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000004194726 211537455 /nfs/dbraw/zinc/53/74/55/211537455.db2.gz YMHPXVLYBGPZJG-UHFFFAOYSA-N 0 0 387.489 5.825 50 0 GKAARN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000004174624 211535714 /nfs/dbraw/zinc/53/57/14/211535714.db2.gz ZCGPHRKTGKOVFO-HNNXBMFYSA-N 0 0 389.933 5.368 50 0 GKAARN CCCCc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 ZINC000004167337 211534818 /nfs/dbraw/zinc/53/48/18/211534818.db2.gz ZJIYTKLXYWHWGB-UHFFFAOYSA-N 0 0 397.569 5.587 50 0 GKAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1C ZINC000004088743 211532139 /nfs/dbraw/zinc/53/21/39/211532139.db2.gz QIOUGTUDUQRVQI-UHFFFAOYSA-N 0 0 383.904 5.142 50 0 GKAARN O=C1CCCC[C@H]1[C@H](c1ccccc1)[C@H]1CCCCN(c2ccccc2)C1=O ZINC000004025206 211528250 /nfs/dbraw/zinc/52/82/50/211528250.db2.gz NBVUBNJKEBYXFV-AKFKNWHVSA-N 0 0 375.512 5.363 50 0 biogenic GKAARN COc1ccc(OC(=O)/C=C/c2ccc(OC(F)F)cc2)c(C(C)(C)C)c1 ZINC000003354096 211524501 /nfs/dbraw/zinc/52/45/01/211524501.db2.gz BXWWWBTYMAZRDU-KPKJPENVSA-N 0 0 376.399 5.213 50 0 GKAARN CC(C)Oc1ccc([C@H](CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000001295724 206291054 /nfs/dbraw/zinc/29/10/54/206291054.db2.gz TYLTWIVYGAQIHR-JTHBVZDNSA-N 0 0 395.543 5.070 50 0 biogenic GKAARN COc1cc(Cl)c(C)cc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000003302492 211522470 /nfs/dbraw/zinc/52/24/70/211522470.db2.gz NXYOJQHANWWQAL-UHFFFAOYSA-N 0 0 379.843 5.738 50 0 GKAARN Cc1c2cc(Br)ccc2oc1-c1cc(=O)oc2ccc(C(C)C)cc21 ZINC000002425087 206292134 /nfs/dbraw/zinc/29/21/34/206292134.db2.gz IOLPRWAYRUEJSI-UHFFFAOYSA-N 0 0 397.268 6.401 50 0 GKAARN CCOC(=O)c1c2cc(OCc3ccccc3F)ccc2oc1-c1ccccc1 ZINC000002281735 206292163 /nfs/dbraw/zinc/29/21/63/206292163.db2.gz ACCQINNVXPUFHZ-UHFFFAOYSA-N 0 0 390.410 5.995 50 0 GKAARN CCOC(=O)c1c2cc(OCc3cccc(F)c3)ccc2oc1-c1ccccc1 ZINC000001799064 206292199 /nfs/dbraw/zinc/29/21/99/206292199.db2.gz SPCWLBRLZPSUOX-UHFFFAOYSA-N 0 0 390.410 5.995 50 0 GKAARN COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000002231563 206292301 /nfs/dbraw/zinc/29/23/01/206292301.db2.gz AKXZBTHNORHYCY-UHFFFAOYSA-N 0 0 384.435 5.104 50 0 GKAARN CC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004074078 206293789 /nfs/dbraw/zinc/29/37/89/206293789.db2.gz NYJPQNDSCIEILZ-ISLLTSAGSA-N 0 0 386.620 6.322 50 0 biogenic GKAARN CCN(CC)C(=O)Oc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586180 206293860 /nfs/dbraw/zinc/29/38/60/206293860.db2.gz GSQAGBTWARZRQE-UHFFFAOYSA-N 0 0 391.423 5.355 50 0 GKAARN COc1ccc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc1 ZINC000004023138 206294009 /nfs/dbraw/zinc/29/40/09/206294009.db2.gz BCOAQHQEKHGLOY-UHFFFAOYSA-N 0 0 380.491 6.455 50 0 biogenic GKAARN COc1ccc(-c2c(C)c3ccc(OC(=O)c4cccs4)cc3oc2=O)cc1 ZINC000004340166 206294035 /nfs/dbraw/zinc/29/40/35/206294035.db2.gz DAWPYVHPJLUOBB-UHFFFAOYSA-N 0 0 392.432 5.058 50 0 GKAARN C[C@H](c1ccccc1)N1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 ZINC000013692639 206295254 /nfs/dbraw/zinc/29/52/54/206295254.db2.gz HUTNMWJTGGMACV-QGZVFWFLSA-N 0 0 383.447 5.373 50 0 biogenic GKAARN COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3cccc(Cl)c3)c2c1 ZINC000011027575 206295589 /nfs/dbraw/zinc/29/55/89/206295589.db2.gz YKMFFJLZBBBEHC-UHFFFAOYSA-N 0 0 377.827 6.014 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000002360704 211514453 /nfs/dbraw/zinc/51/44/53/211514453.db2.gz HUGJZNJRFWVHIS-RCCKNPSSSA-N 0 0 392.414 5.353 50 0 GKAARN Cc1c2cc(NC(=O)c3ccc(F)cc3)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729459 206296859 /nfs/dbraw/zinc/29/68/59/206296859.db2.gz WYNGVEYBZXBDDZ-UHFFFAOYSA-N 0 0 387.410 5.672 50 0 GKAARN CCc1ccccc1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000002122893 211514033 /nfs/dbraw/zinc/51/40/33/211514033.db2.gz OHIXVIVCOQZIQS-UHFFFAOYSA-N 0 0 383.447 5.379 50 0 biogenic GKAARN O=C(Nc1c2ccccc2oc1-c1cc(=O)oc2ccc(Cl)cc21)C1CC1 ZINC000100653737 206304116 /nfs/dbraw/zinc/30/41/16/206304116.db2.gz POQRREIJLBMNGM-UHFFFAOYSA-N 0 0 379.799 5.208 50 0 GKAARN O=c1nc(C(Cl)=Cc2cccc(O)c2)[nH]c2scc(-c3cccs3)c21 ZINC000096792785 206301421 /nfs/dbraw/zinc/30/14/21/206301421.db2.gz IMMXSHVOKJFELO-MDWZMJQESA-N 0 0 386.885 5.568 50 0 GKAARN COc1ccc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1OC(F)F ZINC000096920087 206301992 /nfs/dbraw/zinc/30/19/92/206301992.db2.gz FTZVMUYMOVKRRR-IZZDOVSWSA-N 0 0 384.791 5.145 50 0 GKAARN COc1cc(CNc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1C ZINC000000624302 206308639 /nfs/dbraw/zinc/30/86/39/206308639.db2.gz JLJWOSSYTSZTIY-UHFFFAOYSA-N 0 0 390.483 5.153 50 0 GKAARN c1ccc(-c2cc(Sc3nnnn3-c3ccccc3)nc3ccccc32)cc1 ZINC000000628375 206309498 /nfs/dbraw/zinc/30/94/98/206309498.db2.gz WVYCCYVGWFOMJO-UHFFFAOYSA-N 0 0 381.464 5.029 50 0 GKAARN Cc1cc2nnc(SCC(=O)Nc3cccc4ccccc43)n2c2ccccc12 ZINC000000628318 206309540 /nfs/dbraw/zinc/30/95/40/206309540.db2.gz WPPSPBKAOWPBHN-UHFFFAOYSA-N 0 0 398.491 5.075 50 0 GKAARN O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn21)c1ccc(Cl)cc1 ZINC000000631757 206309643 /nfs/dbraw/zinc/30/96/43/206309643.db2.gz ZVMAYTAIHNYADX-UHFFFAOYSA-N 0 0 382.250 5.560 50 0 GKAARN CN(Cc1ccc(C(=O)C(C)(C)C)cc1)Cc1ccc(C(=O)C(C)(C)C)cc1 ZINC000000625880 206309808 /nfs/dbraw/zinc/30/98/08/206309808.db2.gz RUXDYILSLXAGBS-UHFFFAOYSA-N 0 0 379.544 5.776 50 0 GKAARN Clc1ccc(-c2csc3ncnc(Oc4ccc5c(c4)OCO5)c23)cc1 ZINC000000632102 206310065 /nfs/dbraw/zinc/31/00/65/206310065.db2.gz JVOOPUOXXQJPJV-UHFFFAOYSA-N 0 0 382.828 5.533 50 0 GKAARN Brc1ccc(-c2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000000636639 206310204 /nfs/dbraw/zinc/31/02/04/206310204.db2.gz YBIMJJLVNZBYIW-UHFFFAOYSA-N 0 0 392.300 5.569 50 0 GKAARN CCOc1ccc([C@H]2C[C@H](c3ccc(-c4ccccc4)cc3)n3ncnc3N2)cc1 ZINC000000638075 206310432 /nfs/dbraw/zinc/31/04/32/206310432.db2.gz UAJPVZXUSIODHE-DNQXCXABSA-N 0 0 396.494 5.490 50 0 GKAARN COc1ccc(Cl)cc1Nc1nc(-c2c(C)nc3cc(C)ccn32)cs1 ZINC000000888743 206331410 /nfs/dbraw/zinc/33/14/10/206331410.db2.gz KMAWOTVBUZVCHJ-UHFFFAOYSA-N 0 0 384.892 5.480 50 0 GKAARN Cc1cc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)ccc1Br ZINC000000634890 206311000 /nfs/dbraw/zinc/31/10/00/206311000.db2.gz LYRUZEVWVPEXMU-FQEVSTJZSA-N 0 0 393.284 5.529 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000649971 206311858 /nfs/dbraw/zinc/31/18/58/206311858.db2.gz YSHHGCSMDYSSJT-CYBMUJFWSA-N 0 0 389.517 5.230 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)cc1 ZINC000000656249 206312649 /nfs/dbraw/zinc/31/26/49/206312649.db2.gz SVBHDHQFXLSZIB-UHFFFAOYSA-N 0 0 382.463 5.861 50 0 GKAARN Cc1sc(NC(=S)NC(=O)c2ccccc2)nc1-c1ccc(C(C)C)cc1 ZINC000000654335 206312662 /nfs/dbraw/zinc/31/26/62/206312662.db2.gz GHHZQXMFDSOMGQ-UHFFFAOYSA-N 0 0 395.553 5.369 50 0 GKAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)NCc1cccc(Cl)c1 ZINC000000660272 206312667 /nfs/dbraw/zinc/31/26/67/206312667.db2.gz JCSAPOXCSNMXGV-UHFFFAOYSA-N 0 0 399.928 5.190 50 0 GKAARN Cc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1F ZINC000000660285 206312726 /nfs/dbraw/zinc/31/27/26/206312726.db2.gz HVRQMVWEZSKGLR-UHFFFAOYSA-N 0 0 383.473 5.307 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3cccc(C)c3C)o2)c1 ZINC000000657074 206312850 /nfs/dbraw/zinc/31/28/50/206312850.db2.gz YALPKXZEJUGVRC-UHFFFAOYSA-N 0 0 377.484 6.160 50 0 GKAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(C)o1 ZINC000000657157 206313044 /nfs/dbraw/zinc/31/30/44/206313044.db2.gz VNEWMRMHNCISSL-UHFFFAOYSA-N 0 0 375.833 5.009 50 0 GKAARN COc1ccccc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000000652225 206313291 /nfs/dbraw/zinc/31/32/91/206313291.db2.gz RBSDVWVKQTUBGE-UHFFFAOYSA-N 0 0 379.456 5.417 50 0 GKAARN CSc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 ZINC000000661106 206313364 /nfs/dbraw/zinc/31/33/64/206313364.db2.gz ZHQGCFIBPUJMEG-UHFFFAOYSA-N 0 0 397.550 5.581 50 0 GKAARN Cc1cccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)c1C ZINC000000651572 206313443 /nfs/dbraw/zinc/31/34/43/206313443.db2.gz IFFLDPOKHHDAIJ-UHFFFAOYSA-N 0 0 390.266 6.035 50 0 GKAARN Cc1cc(F)ccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N ZINC000000660281 206313493 /nfs/dbraw/zinc/31/34/93/206313493.db2.gz SYBFGWZAVXGHNV-UHFFFAOYSA-N 0 0 383.473 5.307 50 0 GKAARN O=C(c1ccccc1)[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1 ZINC000000652185 206313647 /nfs/dbraw/zinc/31/36/47/206313647.db2.gz IPKIAEQEURBQOR-NRFANRHFSA-N 0 0 396.475 5.222 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)cc1)CCCCCC3 ZINC000000663250 206313933 /nfs/dbraw/zinc/31/39/33/206313933.db2.gz XVQJFQSWVBVCEQ-UHFFFAOYSA-N 0 0 385.920 5.443 50 0 GKAARN Nc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)c1ccc(F)cc1 ZINC000000663718 206314355 /nfs/dbraw/zinc/31/43/55/206314355.db2.gz DKEHLLSZKHUJOU-UHFFFAOYSA-N 0 0 382.247 5.146 50 0 GKAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccccc1 ZINC000000669112 206314669 /nfs/dbraw/zinc/31/46/69/206314669.db2.gz LXQTVEYPNCZELZ-UHFFFAOYSA-N 0 0 385.872 5.416 50 0 GKAARN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(Br)o1 ZINC000000679746 206315112 /nfs/dbraw/zinc/31/51/12/206315112.db2.gz AITBKTGWWKGHFB-UHFFFAOYSA-N 0 0 392.061 5.211 50 0 GKAARN Cc1ccc([C@@H]2Nc3cc(NC(=O)c4cccnc4Cl)ccc3O2)cc1C ZINC000000679751 206315502 /nfs/dbraw/zinc/31/55/02/206315502.db2.gz AOXURYFRNXEJFE-OAQYLSRUSA-N 0 0 379.847 5.107 50 0 GKAARN COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C(F)(F)F ZINC000000675549 206315522 /nfs/dbraw/zinc/31/55/22/206315522.db2.gz OMWZKMICWFDBEE-UHFFFAOYSA-N 0 0 391.461 5.359 50 0 GKAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)scc1-c1ccc(F)cc1 ZINC000000671255 206315571 /nfs/dbraw/zinc/31/55/71/206315571.db2.gz LZZAOKLYXPRTLF-UHFFFAOYSA-N 0 0 389.835 5.247 50 0 GKAARN CCOc1ccccc1NC(=O)c1cc(-c2ccccc2C)nc2ccccc21 ZINC000000673179 206315590 /nfs/dbraw/zinc/31/55/90/206315590.db2.gz PTLATPDOEWWHOH-UHFFFAOYSA-N 0 0 382.463 5.861 50 0 GKAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000000678821 206315929 /nfs/dbraw/zinc/31/59/29/206315929.db2.gz MRTZQBLXLOOUBI-CQSZACIVSA-N 0 0 378.497 5.186 50 0 GKAARN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000000682315 206317182 /nfs/dbraw/zinc/31/71/82/206317182.db2.gz QUEMPFJKFMJISD-UHFFFAOYSA-N 0 0 386.234 5.465 50 0 GKAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)o2)c1 ZINC000000696060 206317835 /nfs/dbraw/zinc/31/78/35/206317835.db2.gz LVRVMCSOQLYKAK-UHFFFAOYSA-N 0 0 397.902 6.505 50 0 GKAARN CC(C)CCOc1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000000706969 206317929 /nfs/dbraw/zinc/31/79/29/206317929.db2.gz IUAUUOOQKCPOGB-UHFFFAOYSA-N 0 0 382.287 5.436 50 0 GKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000000692607 206318212 /nfs/dbraw/zinc/31/82/12/206318212.db2.gz WECGDYJEARKMQR-UHFFFAOYSA-N 0 0 399.494 5.679 50 0 GKAARN CCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000000692788 206318248 /nfs/dbraw/zinc/31/82/48/206318248.db2.gz TXVJXVLRIBBVJT-UHFFFAOYSA-N 0 0 389.076 5.407 50 0 GKAARN Cc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)Nc1ccccc1)n2C ZINC000000712456 206318784 /nfs/dbraw/zinc/31/87/84/206318784.db2.gz VYJVGFCDOMSXGY-UHFFFAOYSA-N 0 0 386.520 5.819 50 0 GKAARN O=C(c1ccccc1C(=O)N1CCCCC1)N(c1ccccc1)c1ccccc1 ZINC000000710986 206318965 /nfs/dbraw/zinc/31/89/65/206318965.db2.gz BQTIIMIQUAEEGU-UHFFFAOYSA-N 0 0 384.479 5.291 50 0 GKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000715202 206319064 /nfs/dbraw/zinc/31/90/64/206319064.db2.gz GHLUHTGCQCIBNF-QFIPXVFZSA-N 0 0 392.499 5.124 50 0 GKAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc3ccccc32)c(C(C)C)c1 ZINC000000713748 206319073 /nfs/dbraw/zinc/31/90/73/206319073.db2.gz AYXOZMQPSXGAPB-UHFFFAOYSA-N 0 0 384.545 5.644 50 0 GKAARN O=C(Nc1ccc(Br)c2cccnc12)c1cc(F)c(F)cc1Cl ZINC000000717450 206319480 /nfs/dbraw/zinc/31/94/80/206319480.db2.gz RXZHNUJTXTZRME-UHFFFAOYSA-N 0 0 397.606 5.181 50 0 GKAARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1Cl ZINC000000717786 206319539 /nfs/dbraw/zinc/31/95/39/206319539.db2.gz CRWQRVIGNZIOTF-FQEVSTJZSA-N 0 0 399.277 5.773 50 0 GKAARN O=C(Nc1ccccc1C(=O)NCc1ccco1)Nc1cccc2ccccc21 ZINC000000755344 206320475 /nfs/dbraw/zinc/32/04/75/206320475.db2.gz ZZLCHFVUOAYWOS-UHFFFAOYSA-N 0 0 385.423 5.007 50 0 GKAARN Cc1cc(I)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000799331 206321257 /nfs/dbraw/zinc/32/12/57/206321257.db2.gz IFHFEMFJQUOHJQ-UHFFFAOYSA-N 0 0 393.268 5.149 50 0 GKAARN Cc1ccc(N(Cc2ccc(Br)cc2)C(=O)c2ccc(F)cc2)cc1 ZINC000000832185 206324954 /nfs/dbraw/zinc/32/49/54/206324954.db2.gz HMGKFXJZTYYXLW-UHFFFAOYSA-N 0 0 398.275 5.744 50 0 GKAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1C ZINC000000831659 206325079 /nfs/dbraw/zinc/32/50/79/206325079.db2.gz LDQKFKAZOLXFJN-UHFFFAOYSA-N 0 0 386.245 5.704 50 0 GKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4)c3)oc2c1 ZINC000000824703 206325086 /nfs/dbraw/zinc/32/50/86/206325086.db2.gz FNSPGADWBRHDDB-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1 ZINC000000842367 206326215 /nfs/dbraw/zinc/32/62/15/206326215.db2.gz XLQNPDPRVXIYDU-UHFFFAOYSA-N 0 0 386.451 5.708 50 0 GKAARN CC(C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)C(C)C)c2ccccc21 ZINC000000844605 206326340 /nfs/dbraw/zinc/32/63/40/206326340.db2.gz PYIDLVKJNDPPQN-XMSQKQJNSA-N 0 0 378.516 5.198 50 0 GKAARN Cc1cc2nc3n(c2cc1C)C(=O)[C@@H]1[C@H]3C2c3ccccc3C1c1ccccc12 ZINC000000843932 206326503 /nfs/dbraw/zinc/32/65/03/206326503.db2.gz WYWPGAHRWQEBNN-ZQHBMWIYSA-N 0 0 376.459 5.298 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000840447 206326691 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/nfs/dbraw/zinc/39/77/69/206397769.db2.gz DVXRJMZTDAWEBK-KRWDZBQOSA-N 0 0 384.892 5.197 50 0 GKAARN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccn1)Nc1ccccc1-2 ZINC000002086910 206397960 /nfs/dbraw/zinc/39/79/60/206397960.db2.gz XRLCLUCOACWVBC-IBGZPJMESA-N 0 0 393.516 5.109 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)c3cccc(C)c3n2)cc1 ZINC000002078927 206398034 /nfs/dbraw/zinc/39/80/34/206398034.db2.gz ZDENMPISXIFRPD-UHFFFAOYSA-N 0 0 387.866 6.391 50 0 GKAARN CCCN(CCC)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000002088452 206398108 /nfs/dbraw/zinc/39/81/08/206398108.db2.gz ABYPPFCDJZPEJG-UHFFFAOYSA-N 0 0 388.555 6.462 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000002081439 206398180 /nfs/dbraw/zinc/39/81/80/206398180.db2.gz VYVLJLABYFBYEO-JPYJTQIMSA-N 0 0 375.537 6.672 50 0 GKAARN C[C@]1(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CC1(Cl)Cl ZINC000002091408 206398210 /nfs/dbraw/zinc/39/82/10/206398210.db2.gz RLYFWEUAQWMGPT-CYBMUJFWSA-N 0 0 396.126 5.639 50 0 GKAARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002087936 206398312 /nfs/dbraw/zinc/39/83/12/206398312.db2.gz UEKUMDWMDNXPCI-FQEVSTJZSA-N 0 0 391.404 5.569 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)cc1 ZINC000002081624 206398417 /nfs/dbraw/zinc/39/84/17/206398417.db2.gz RWSLCMRWOUAQNM-UHFFFAOYSA-N 0 0 396.490 6.170 50 0 GKAARN COc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000002094007 206398476 /nfs/dbraw/zinc/39/84/76/206398476.db2.gz GNZJMIHKJKTFFE-UHFFFAOYSA-N 0 0 387.454 6.179 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2C)nc2ccccc21 ZINC000002081685 206398489 /nfs/dbraw/zinc/39/84/89/206398489.db2.gz KJQLPLWFJOQVRQ-UHFFFAOYSA-N 0 0 380.491 6.333 50 0 GKAARN CCc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000002093536 206398562 /nfs/dbraw/zinc/39/85/62/206398562.db2.gz SGOPPUVPYHOJRL-UHFFFAOYSA-N 0 0 381.903 6.102 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000002081547 206398627 /nfs/dbraw/zinc/39/86/27/206398627.db2.gz CNRXNCZWNOHQNP-LJQANCHMSA-N 0 0 394.518 6.976 50 0 GKAARN CCCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccco1 ZINC000002101311 206398680 /nfs/dbraw/zinc/39/86/80/206398680.db2.gz YCSANYDGOQAFPF-UHFFFAOYSA-N 0 0 389.860 5.481 50 0 GKAARN COc1ccc([C@]2(c3ccccc3)ON=C(c3ccccc3)S2)cc1OC ZINC000002077538 206398798 /nfs/dbraw/zinc/39/87/98/206398798.db2.gz WXHWVYYPFJYMCP-JOCHJYFZSA-N 0 0 377.465 5.030 50 0 GKAARN Cc1oc2c(cc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002101346 206399008 /nfs/dbraw/zinc/39/90/08/206399008.db2.gz ZIMPQPQMGWCFDT-UHFFFAOYSA-N 0 0 394.470 6.722 50 0 biogenic GKAARN O=C(CCCCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000002133652 206399118 /nfs/dbraw/zinc/39/91/18/206399118.db2.gz BFXHLEVONUGLTH-UHFFFAOYSA-N 0 0 393.314 5.911 50 0 GKAARN CCCCc1ccc(-c2csc3c2C(=O)N[C@@H](c2cnn(CC)c2C)N3)cc1 ZINC000002113098 206399123 /nfs/dbraw/zinc/39/91/23/206399123.db2.gz AHLYZWZSAKSSGP-HXUWFJFHSA-N 0 0 394.544 5.137 50 0 GKAARN CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](CC)C3)cs1 ZINC000002111466 206399644 /nfs/dbraw/zinc/39/96/44/206399644.db2.gz WQBGNOYRSHZEKM-LBPRGKRZSA-N 0 0 391.558 5.316 50 0 GKAARN CCCOc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)cc1 ZINC000002103376 206399659 /nfs/dbraw/zinc/39/96/59/206399659.db2.gz WBMULIJFJVWFDC-UHFFFAOYSA-N 0 0 383.451 5.338 50 0 GKAARN CCc1cc(C(=O)Nc2sc([C@H](C)c3ccccc3)cc2C(=O)OC)cs1 ZINC000002111504 206399688 /nfs/dbraw/zinc/39/96/88/206399688.db2.gz HXXGPYMHCJSZSS-CYBMUJFWSA-N 0 0 399.537 5.563 50 0 GKAARN CCCCc1nc2sc3c(ncnc3NCC(C)C)c2c2c1COC(C)(C)C2 ZINC000002117768 206399738 /nfs/dbraw/zinc/39/97/38/206399738.db2.gz YUWMLAPAPUACPI-UHFFFAOYSA-N 0 0 398.576 5.501 50 0 GKAARN Cc1oc2c(c1-c1ccccc1)c(C)cc1oc(=O)c(Cc3ccccc3)c(C)c21 ZINC000002126437 206399801 /nfs/dbraw/zinc/39/98/01/206399801.db2.gz FSXKCXZCPXLJLY-UHFFFAOYSA-N 0 0 394.470 6.722 50 0 biogenic GKAARN CCOc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000002210399 206401726 /nfs/dbraw/zinc/40/17/26/206401726.db2.gz SZFGQAKLVBGKMA-UHFFFAOYSA-N 0 0 375.859 6.093 50 0 GKAARN CCCCCc1ccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 ZINC000002221814 206403366 /nfs/dbraw/zinc/40/33/66/206403366.db2.gz CYRMKLRTUTUHKA-UHFFFAOYSA-N 0 0 392.495 5.713 50 0 GKAARN CCc1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 ZINC000002250419 206404439 /nfs/dbraw/zinc/40/44/39/206404439.db2.gz CVJGULFHMFZBFL-UHFFFAOYSA-N 0 0 376.463 5.688 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)(C)c1ssc(=S)c1-2 ZINC000002240174 206404663 /nfs/dbraw/zinc/40/46/63/206404663.db2.gz PIQCWYJDRVRGSE-UHFFFAOYSA-N 0 0 383.563 6.410 50 0 GKAARN CCCCC(=O)Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000002261563 206405230 /nfs/dbraw/zinc/40/52/30/206405230.db2.gz UXNOYFOMGOTWRR-UHFFFAOYSA-N 0 0 386.904 5.936 50 0 GKAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc1 ZINC000002258165 206405451 /nfs/dbraw/zinc/40/54/51/206405451.db2.gz PEDSVDCPZRBMTH-UHFFFAOYSA-N 0 0 386.842 5.298 50 0 GKAARN FC(F)(F)c1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000002269417 206405735 /nfs/dbraw/zinc/40/57/35/206405735.db2.gz MCELYMWOWWINBN-UHFFFAOYSA-N 0 0 399.803 6.713 50 0 GKAARN c1coc(-c2nc3sc4c(ncnc4N4CCCCC4)c3c3c2CCCC3)c1 ZINC000002281711 206406782 /nfs/dbraw/zinc/40/67/82/206406782.db2.gz VGLJSXCSAKXWML-UHFFFAOYSA-N 0 0 390.512 5.369 50 0 GKAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000002296194 206407751 /nfs/dbraw/zinc/40/77/51/206407751.db2.gz QPJPVLQOQCFPLQ-NRFANRHFSA-N 0 0 394.858 5.128 50 0 GKAARN Cc1cccc(C(=O)N2c3c(C)cccc3-c3c(=S)ssc3C2(C)C)c1 ZINC000002361874 206410792 /nfs/dbraw/zinc/41/07/92/206410792.db2.gz YZNSRDOQSRKBDD-UHFFFAOYSA-N 0 0 397.590 6.718 50 0 GKAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000002354953 206410987 /nfs/dbraw/zinc/41/09/87/206410987.db2.gz VNDUEFDFIKVSAP-KGENOOAVSA-N 0 0 389.838 5.264 50 0 GKAARN Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl ZINC000002379973 206412977 /nfs/dbraw/zinc/41/29/77/206412977.db2.gz GYSCWIPOKBIIGE-UHFFFAOYSA-N 0 0 398.702 5.660 50 0 GKAARN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(Cl)n1)CCC4 ZINC000002397309 206413917 /nfs/dbraw/zinc/41/39/17/206413917.db2.gz QMDKQNRIUQLASM-UHFFFAOYSA-N 0 0 383.929 5.771 50 0 GKAARN c1csc(-c2csc3ncnc(N4CCC(Cc5ccccc5)CC4)c23)c1 ZINC000002415818 206415769 /nfs/dbraw/zinc/41/57/69/206415769.db2.gz TXBHNVAXQSKGOA-UHFFFAOYSA-N 0 0 391.565 5.879 50 0 GKAARN CC(C)c1ccc([C@H]2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1 ZINC000002429494 206416062 /nfs/dbraw/zinc/41/60/62/206416062.db2.gz GPVNRBXKFHYALH-HXUWFJFHSA-N 0 0 383.495 5.207 50 0 GKAARN CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000002449953 206417820 /nfs/dbraw/zinc/41/78/20/206417820.db2.gz HDIXTPCSZQBIKH-UHFFFAOYSA-N 0 0 383.879 5.259 50 0 GKAARN Cc1ccc(C(=O)N[C@@H](Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1 ZINC000002672805 206428907 /nfs/dbraw/zinc/42/89/07/206428907.db2.gz LDLMAYKGORPCFD-QGZVFWFLSA-N 0 0 385.722 5.150 50 0 GKAARN CCc1cccc(CC)c1NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21 ZINC000002748200 206431978 /nfs/dbraw/zinc/43/19/78/206431978.db2.gz CUYRWOMICRWQBB-UHFFFAOYSA-N 0 0 394.518 6.587 50 0 GKAARN O=C(NC1CCCCCC1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002750327 206432603 /nfs/dbraw/zinc/43/26/03/206432603.db2.gz GISRJGJTQRJJFV-UHFFFAOYSA-N 0 0 384.932 6.069 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CC[C@H](CC)C2 ZINC000002744863 206432624 /nfs/dbraw/zinc/43/26/24/206432624.db2.gz GFBJYCPGWRKIMS-HNNXBMFYSA-N 0 0 385.529 5.309 50 0 GKAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 ZINC000002752419 206433998 /nfs/dbraw/zinc/43/39/98/206433998.db2.gz KHEKNSWISQMZFH-UHFFFAOYSA-N 0 0 376.934 6.075 50 0 GKAARN Cc1cc(C)n(Cc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)o2)n1 ZINC000002779197 206434507 /nfs/dbraw/zinc/43/45/07/206434507.db2.gz FTZLDHPIWYSGRI-UHFFFAOYSA-N 0 0 383.536 5.249 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)/C=C/c1ccccc1 ZINC000002811358 206437996 /nfs/dbraw/zinc/43/79/96/206437996.db2.gz HWWAMBQGLOAJRM-XYOKQWHBSA-N 0 0 388.854 6.109 50 0 GKAARN CC[C@@H](C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccccc1 ZINC000002828397 206438217 /nfs/dbraw/zinc/43/82/17/206438217.db2.gz 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/nfs/dbraw/zinc/44/12/01/206441201.db2.gz XFGPTLUPRYHRSP-UHFFFAOYSA-N 0 0 399.446 5.338 50 0 GKAARN Cc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)c1 ZINC000002868598 206441920 /nfs/dbraw/zinc/44/19/20/206441920.db2.gz RRODJVTXUFMUKJ-UHFFFAOYSA-N 0 0 385.492 5.218 50 0 GKAARN CC(=O)Nc1cccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000002862031 206442552 /nfs/dbraw/zinc/44/25/52/206442552.db2.gz NRSVWDCPONCFOS-UHFFFAOYSA-N 0 0 377.391 5.531 50 0 GKAARN CCCSc1nnc2c(n1)O[C@@H](/C(C)=C/c1ccccc1)Nc1ccccc1-2 ZINC000002911904 206444877 /nfs/dbraw/zinc/44/48/77/206444877.db2.gz GXULNDKHKCZHAB-JWHUVLAVSA-N 0 0 390.512 5.275 50 0 GKAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2ccccc2C)cc1C ZINC000002925202 206446179 /nfs/dbraw/zinc/44/61/79/206446179.db2.gz JUZZUSQKXNRVBC-UHFFFAOYSA-N 0 0 392.549 5.665 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000002914638 206446520 /nfs/dbraw/zinc/44/65/20/206446520.db2.gz ZPEFZVFYDZZLQQ-KQDNUWKFSA-N 0 0 390.512 5.275 50 0 GKAARN 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Clc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Cl)c3Cl)C2)cc1 ZINC000101112777 208387858 /nfs/dbraw/zinc/38/78/58/208387858.db2.gz DOQUPYJUHDDMPU-OAHLLOKOSA-N 0 0 377.662 5.294 50 0 GKAARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000100141934 208371442 /nfs/dbraw/zinc/37/14/42/208371442.db2.gz CHZVRGGXZSYVPX-HSZRJFAPSA-N 0 0 388.511 6.135 50 0 GKAARN N=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000100135704 208372096 /nfs/dbraw/zinc/37/20/96/208372096.db2.gz BPKAYIIUCDHPLX-UHFFFAOYSA-N 0 0 391.927 5.510 50 0 GKAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000100561188 208376442 /nfs/dbraw/zinc/37/64/42/208376442.db2.gz PYUXAAVQHQINNC-MRXNPFEDSA-N 0 0 377.662 5.294 50 0 GKAARN O=C(CCCOc1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000023427939 210445916 /nfs/dbraw/zinc/44/59/16/210445916.db2.gz VTCSFVZWHYFUNH-UHFFFAOYSA-N 0 0 397.478 5.337 50 0 GKAARN Clc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c4ccccc4nc3N2)cc1Cl ZINC000101229006 208390731 /nfs/dbraw/zinc/39/07/31/208390731.db2.gz JUWSGESAFYHHDF-FPOVZHCZSA-N 0 0 394.305 6.489 50 0 GKAARN CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000101343553 208391661 /nfs/dbraw/zinc/39/16/61/208391661.db2.gz IBVUWOBSESRAEG-KEVKATSASA-N 0 0 389.514 5.906 50 0 GKAARN CCCCC(=O)Nc1cc(-c2onc3c2CCc2cc(OC)ccc2-3)ccc1C ZINC000023326308 210440577 /nfs/dbraw/zinc/44/05/77/210440577.db2.gz JZZRIMCXRXITBF-UHFFFAOYSA-N 0 0 390.483 5.553 50 0 GKAARN CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2F)n(-c2ccccc2Cl)n1 ZINC000023322085 210440415 /nfs/dbraw/zinc/44/04/15/210440415.db2.gz REEJMIVMJLCBJV-UHFFFAOYSA-N 0 0 389.833 5.354 50 0 GKAARN COc1ccc(-c2onc3c2CCc2ccccc2-3)cc1NC(=O)CC(C)C ZINC000023319433 210439780 /nfs/dbraw/zinc/43/97/80/210439780.db2.gz OJAWCPGSMMOWPC-UHFFFAOYSA-N 0 0 376.456 5.100 50 0 GKAARN CCCCC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000023321921 210439881 /nfs/dbraw/zinc/43/98/81/210439881.db2.gz KTKJSAZFHQJZJF-QGZVFWFLSA-N 0 0 380.557 6.279 50 0 GKAARN CN(c1cc(C(=O)NCC2CCCCC2)c2ccccc2n1)C1CCCCC1 ZINC000022628217 210418984 /nfs/dbraw/zinc/41/89/84/210418984.db2.gz RZAOCWWAXMRHAI-UHFFFAOYSA-N 0 0 379.548 5.314 50 0 GKAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4Cl)CC3=O)n2)cc1 ZINC000102718027 208409561 /nfs/dbraw/zinc/40/95/61/208409561.db2.gz PIKNLPFJFMUXLY-UHFFFAOYSA-N 0 0 397.887 5.239 50 0 GKAARN Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(Nc3cccc(C)c3C)c12 ZINC000021882964 210398230 /nfs/dbraw/zinc/39/82/30/210398230.db2.gz GQNKTVHDHSPCRQ-UHFFFAOYSA-N 0 0 378.426 5.676 50 0 GKAARN O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccc(Cl)c1 ZINC000022458462 210413994 /nfs/dbraw/zinc/41/39/94/210413994.db2.gz HLVAUMVNSCHGFE-UHFFFAOYSA-N 0 0 389.842 5.233 50 0 GKAARN CCC[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000106937213 208434009 /nfs/dbraw/zinc/43/40/09/208434009.db2.gz LNQQCNSXLSORBH-RTBURBONSA-N 0 0 375.299 5.972 50 0 GKAARN COc1ccccc1CNC(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000021940258 210402074 /nfs/dbraw/zinc/40/20/74/210402074.db2.gz FSQTYWGLDGAART-UHFFFAOYSA-N 0 0 392.842 5.087 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3cc(C)cc(C)c3)c2C)c1-c1ccc(F)cc1 ZINC000021914178 210401042 /nfs/dbraw/zinc/40/10/42/210401042.db2.gz XXGFHNSUDBZRCN-UHFFFAOYSA-N 0 0 388.446 5.021 50 0 GKAARN O=C1Cc2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)ccc2N1 ZINC000021908661 210399938 /nfs/dbraw/zinc/39/99/38/210399938.db2.gz PCGHRGWHRPAWNZ-UHFFFAOYSA-N 0 0 375.375 5.067 50 0 GKAARN CCc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC2CCCC2)cc1 ZINC000021893119 210398685 /nfs/dbraw/zinc/39/86/85/210398685.db2.gz VIEGFGGAMQGDSE-RUZDIDTESA-N 0 0 399.538 5.597 50 0 GKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1 ZINC000021704888 210390058 /nfs/dbraw/zinc/39/00/58/210390058.db2.gz YGRONNKTUGJHKL-UHFFFAOYSA-N 0 0 384.483 5.609 50 0 GKAARN O=C(c1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021715476 210390121 /nfs/dbraw/zinc/39/01/21/210390121.db2.gz SRIVWERAPJBSQY-QHCPKHFHSA-N 0 0 388.417 5.234 50 0 GKAARN CCc1ccc(NC(=O)N[C@H](c2nc3cccnc3n2C(C)C)C(C)C)cc1 ZINC000021635022 210387252 /nfs/dbraw/zinc/38/72/52/210387252.db2.gz BXDCLLSLGBLWOV-IBGZPJMESA-N 0 0 379.508 5.093 50 0 GKAARN O=C(c1ccsc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000021601614 210385796 /nfs/dbraw/zinc/38/57/96/210385796.db2.gz MGGNZXSQZFWXHJ-UHFFFAOYSA-N 0 0 387.892 5.037 50 0 GKAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)s1 ZINC000021588138 210385096 /nfs/dbraw/zinc/38/50/96/210385096.db2.gz QCWUREIAEOQBBS-UHFFFAOYSA-N 0 0 382.510 5.205 50 0 GKAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000044086002 208444186 /nfs/dbraw/zinc/44/41/86/208444186.db2.gz RJHZAWGXVNNSFS-UHFFFAOYSA-N 0 0 399.519 5.579 50 0 GKAARN CC(C)Sc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000044085472 208444602 /nfs/dbraw/zinc/44/46/02/208444602.db2.gz KPGFHQLNBRXUNG-UHFFFAOYSA-N 0 0 387.346 5.861 50 0 GKAARN Cc1c(C)n(-c2ccccc2Cl)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000021801768 210394711 /nfs/dbraw/zinc/39/47/11/210394711.db2.gz PROJVXSHHQQYJJ-UHFFFAOYSA-N 0 0 387.874 5.314 50 0 GKAARN O=C(Nc1ccc(F)cc1)c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000021053348 210376959 /nfs/dbraw/zinc/37/69/59/210376959.db2.gz LYAIGRZPEXZQAR-UHFFFAOYSA-N 0 0 392.821 5.418 50 0 GKAARN COc1ccc2cc3cc(C(=O)Nc4cccc(C)c4C)sc3nc2c1Cl ZINC000021087705 210376202 /nfs/dbraw/zinc/37/62/02/210376202.db2.gz ZPCVZGZUAFUVFM-UHFFFAOYSA-N 0 0 396.899 5.981 50 0 GKAARN CCCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021525605 210383945 /nfs/dbraw/zinc/38/39/45/210383945.db2.gz GQPJSFAFMQPCSX-UHFFFAOYSA-N 0 0 379.891 5.983 50 0 GKAARN O=C(Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1cccs1 ZINC000021525617 210383492 /nfs/dbraw/zinc/38/34/92/210383492.db2.gz DBELXIXJVFDSFT-UHFFFAOYSA-N 0 0 391.883 5.778 50 0 GKAARN Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccccc32)cc1 ZINC000021017257 210374123 /nfs/dbraw/zinc/37/41/23/210374123.db2.gz OKROPVXWSDCLCN-UHFFFAOYSA-N 0 0 383.882 6.511 50 0 GKAARN COc1ccc(C(=O)O[C@H](c2ccccc2)c2nccc3ccccc32)cc1OC ZINC000001463187 208496852 /nfs/dbraw/zinc/49/68/52/208496852.db2.gz RZDXYBOUEBNNFD-XMMPIXPASA-N 0 0 399.446 5.198 50 0 GKAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1C1CCCCC1 ZINC000000793601 208481247 /nfs/dbraw/zinc/48/12/47/208481247.db2.gz DXLJWUKMMDUAAG-UHFFFAOYSA-N 0 0 394.544 5.230 50 0 GKAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)c1 ZINC000020992734 210372934 /nfs/dbraw/zinc/37/29/34/210372934.db2.gz MDPUOPODOUVKFU-SFHVURJKSA-N 0 0 386.561 5.149 50 0 GKAARN COc1ccc([C@H](CC(=O)c2ccncc2)Sc2ccc(Cl)cc2)cc1 ZINC000000943392 208487616 /nfs/dbraw/zinc/48/76/16/208487616.db2.gz MGCICLJACATMDB-NRFANRHFSA-N 0 0 383.900 5.850 50 0 GKAARN COc1ccc(-c2c/c(=N\Cc3ccco3)c3c(C)cc(C)cc3o2)cc1OC ZINC000000937846 208488271 /nfs/dbraw/zinc/48/82/71/208488271.db2.gz QTQAWQHVHWSVJA-NCELDCMTSA-N 0 0 389.451 5.428 50 0 GKAARN Cc1cccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)c1 ZINC000000957172 208489395 /nfs/dbraw/zinc/48/93/95/208489395.db2.gz KDHGRSMDRUFKPP-UHFFFAOYSA-N 0 0 376.383 5.612 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)CSc1cc(C)c2cc(Cl)ccc2n1 ZINC000001465353 208497124 /nfs/dbraw/zinc/49/71/24/208497124.db2.gz QQYQAFLKXWGUPA-UHFFFAOYSA-N 0 0 380.900 5.961 50 0 GKAARN Cc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)c2ccccn2)o1 ZINC000020897014 210367074 /nfs/dbraw/zinc/36/70/74/210367074.db2.gz GXHLBWAMYPXBDP-UHFFFAOYSA-N 0 0 396.899 6.007 50 0 GKAARN Cc1ccc(CNc2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000020898181 210366768 /nfs/dbraw/zinc/36/67/68/210366768.db2.gz NEFFOGBGTYEZJC-UHFFFAOYSA-N 0 0 376.847 5.373 50 0 GKAARN CC[C@H](C)NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000020900691 210366671 /nfs/dbraw/zinc/36/66/71/210366671.db2.gz QDNDYTYATIRHEF-AWEZNQCLSA-N 0 0 383.488 5.328 50 0 biogenic GKAARN Cc1ccccc1-c1noc(-c2cccnc2N(C)Cc2ccc(Cl)cc2)n1 ZINC000020898157 210366585 /nfs/dbraw/zinc/36/65/85/210366585.db2.gz UPXOUZSANIXDTQ-UHFFFAOYSA-N 0 0 390.874 5.397 50 0 GKAARN Cc1c(C(=O)NC2CCCC2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900693 210366189 /nfs/dbraw/zinc/36/61/89/210366189.db2.gz WEVYULKYNXAXOV-UHFFFAOYSA-N 0 0 395.499 5.472 50 0 biogenic GKAARN Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000021017405 210375038 /nfs/dbraw/zinc/37/50/38/210375038.db2.gz RVSKLYAJQQUSDZ-UHFFFAOYSA-N 0 0 387.845 6.342 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000003216234 208509258 /nfs/dbraw/zinc/50/92/58/208509258.db2.gz SMYFATBTQIZEGP-UHFFFAOYSA-N 0 0 379.218 5.657 50 0 GKAARN CC[C@@H](C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CSC2)c1ccccc1 ZINC000003008356 208509534 /nfs/dbraw/zinc/50/95/34/208509534.db2.gz RSRHTVFHMRHNBK-GOSISDBHSA-N 0 0 391.540 5.368 50 0 GKAARN Cc1ccc(C(=O)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000003220831 208509650 /nfs/dbraw/zinc/50/96/50/208509650.db2.gz AYCAZXFUWHSIDK-UHFFFAOYSA-N 0 0 383.476 5.447 50 0 GKAARN O=C(OCc1ccc(Cl)cc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000003278279 208510546 /nfs/dbraw/zinc/51/05/46/208510546.db2.gz SJRXVFAMLNZSDW-UHFFFAOYSA-N 0 0 385.246 5.974 50 0 GKAARN COc1ccccc1N[C@@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000020852503 210363746 /nfs/dbraw/zinc/36/37/46/210363746.db2.gz MWJAMZBRLGKQKV-HXUWFJFHSA-N 0 0 391.858 5.600 50 0 GKAARN CCOc1ccc(N[C@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)cc1 ZINC000020853110 210363492 /nfs/dbraw/zinc/36/34/92/210363492.db2.gz IQXJKOXQEWTISH-NRFANRHFSA-N 0 0 389.430 5.476 50 0 GKAARN CSc1ccc(Cl)c(C(=O)OCc2cc(Cl)ccc2OC(F)F)c1 ZINC000003235416 208511676 /nfs/dbraw/zinc/51/16/76/208511676.db2.gz IYQNKXNCDDUUBM-UHFFFAOYSA-N 0 0 393.238 5.674 50 0 GKAARN Cc1cccc(-c2onc3ccc(C(=O)Nc4ccc(C)cc4Cl)cc32)c1 ZINC000020853682 210363095 /nfs/dbraw/zinc/36/30/95/210363095.db2.gz QYJGEXWLZDKVEE-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN COc1cccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)c1 ZINC000020852562 210363156 /nfs/dbraw/zinc/36/31/56/210363156.db2.gz BWOCFFAQEMZWLO-HXUWFJFHSA-N 0 0 391.858 5.600 50 0 GKAARN COc1ccc(NCc2ccccc2-c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020853096 210362903 /nfs/dbraw/zinc/36/29/03/210362903.db2.gz YQXRUPKURFWSFU-UHFFFAOYSA-N 0 0 391.858 5.678 50 0 GKAARN Cc1cc(C)c(NC(=O)[C@@H](C)SCc2ccc(Br)cc2)c(C)c1 ZINC000003423536 208512335 /nfs/dbraw/zinc/51/23/35/208512335.db2.gz IIGJTPVTMYTLPF-OAHLLOKOSA-N 0 0 392.362 5.635 50 0 GKAARN Fc1ccc([C@H](Nc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020852954 210362744 /nfs/dbraw/zinc/36/27/44/210362744.db2.gz MITSCSRTCQTVER-IBGZPJMESA-N 0 0 379.822 5.731 50 0 GKAARN Fc1ccc(N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020852567 210362834 /nfs/dbraw/zinc/36/28/34/210362834.db2.gz CTUSXTGZDIXCBJ-IBGZPJMESA-N 0 0 397.812 5.870 50 0 GKAARN Cc1ccc(-c2ccc(O[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000003331790 208512816 /nfs/dbraw/zinc/51/28/16/208512816.db2.gz YXDKOVZKJKAJJG-CPJSRVTESA-N 0 0 399.534 5.932 50 0 GKAARN Fc1ccc([C@H](Nc2ccc(F)c(Cl)c2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020853029 210362385 /nfs/dbraw/zinc/36/23/85/210362385.db2.gz GNYRQNXWLNHUNO-IBGZPJMESA-N 0 0 397.812 5.870 50 0 GKAARN COc1ccccc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000020852787 210362450 /nfs/dbraw/zinc/36/24/50/210362450.db2.gz YLRUTQVILSGXBA-FQEVSTJZSA-N 0 0 375.403 5.086 50 0 GKAARN COc1cccc(N[C@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)c1 ZINC000020852558 210362171 /nfs/dbraw/zinc/36/21/71/210362171.db2.gz BWOCFFAQEMZWLO-FQEVSTJZSA-N 0 0 391.858 5.600 50 0 GKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CCCCC1 ZINC000001911802 208498665 /nfs/dbraw/zinc/49/86/65/208498665.db2.gz VMXPRPSMPVGUFF-UHFFFAOYSA-N 0 0 391.920 5.764 50 0 GKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccc(C(C)C)cc3)C2)cc1C ZINC000020755572 210361372 /nfs/dbraw/zinc/36/13/72/210361372.db2.gz WNEXHXATHZRVKL-AREMUKBSSA-N 0 0 393.534 6.833 50 0 GKAARN Cc1cccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c1C ZINC000002094300 208500991 /nfs/dbraw/zinc/50/09/91/208500991.db2.gz RRFLWHMFMILWOK-UHFFFAOYSA-N 0 0 399.446 5.094 50 0 biogenic GKAARN CC(C)N(C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(Cl)cc1)C(C)C ZINC000002179761 208502119 /nfs/dbraw/zinc/50/21/19/208502119.db2.gz XTPFJKHJDPCWAJ-XSFVSMFZSA-N 0 0 381.907 5.203 50 0 GKAARN Cc1cccc(-n2nc3c(c2NC(=O)Nc2cccc(Cl)c2)CSC3)c1 ZINC000002451422 208502419 /nfs/dbraw/zinc/50/24/19/208502419.db2.gz UOFHJPYBNNVXKU-UHFFFAOYSA-N 0 0 384.892 5.225 50 0 GKAARN CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000020738333 210358498 /nfs/dbraw/zinc/35/84/98/210358498.db2.gz PDIFNMVVWOTYIZ-WMZHIEFXSA-N 0 0 392.430 5.368 50 0 GKAARN Cc1ccccc1OCc1nn2cc(-c3ccc(F)cc3)c3c2n1CCCC3 ZINC000002619159 208503366 /nfs/dbraw/zinc/50/33/66/208503366.db2.gz CAIUBHHHSKQMRF-UHFFFAOYSA-N 0 0 375.447 5.166 50 0 GKAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000020719803 210357758 /nfs/dbraw/zinc/35/77/58/210357758.db2.gz YVXSWMNUXLEPOS-UHFFFAOYSA-N 0 0 391.430 5.809 50 0 GKAARN Cc1ccc(OCCCOc2cccc3ccc(C)nc32)c(Br)c1 ZINC000002823905 208506437 /nfs/dbraw/zinc/50/64/37/208506437.db2.gz OGVURSCOJHXAPZ-UHFFFAOYSA-N 0 0 386.289 5.462 50 0 GKAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1cccc3ccccc31)cc2C(F)F ZINC000020615201 210353914 /nfs/dbraw/zinc/35/39/14/210353914.db2.gz ZEVZHSHGSBNORH-UHFFFAOYSA-N 0 0 395.409 5.061 50 0 GKAARN Cc1nn(Cc2ccccc2)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020615062 210353804 /nfs/dbraw/zinc/35/38/04/210353804.db2.gz MUPNTVUZKYSDIY-UHFFFAOYSA-N 0 0 393.393 5.121 50 0 GKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 ZINC000020615125 210353464 /nfs/dbraw/zinc/35/34/64/210353464.db2.gz BICMNKAFBXUMEL-UHFFFAOYSA-N 0 0 379.407 5.029 50 0 GKAARN Cn1ncc2c1nc(C1CC1)cc2C(=O)NC1CCCCCCCCCCC1 ZINC000020606967 210352621 /nfs/dbraw/zinc/35/26/21/210352621.db2.gz NNVUSSXYAYWBOH-UHFFFAOYSA-N 0 0 382.552 5.249 50 0 GKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)s1 ZINC000020605135 210352135 /nfs/dbraw/zinc/35/21/35/210352135.db2.gz UGXPWRYIGQWWHV-UHFFFAOYSA-N 0 0 391.393 5.924 50 0 GKAARN CC[C@H](NC(=O)c1sc(-c2cccnc2)nc1C)C12CC3CC(CC(C3)C1)C2 ZINC000020607099 210352147 /nfs/dbraw/zinc/35/21/47/210352147.db2.gz INFLPQJEIDANMU-UVLALUNPSA-N 0 0 395.572 5.238 50 0 GKAARN Cc1cc(C)c(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)c(C)c1 ZINC000004070400 208534144 /nfs/dbraw/zinc/53/41/44/208534144.db2.gz BTKBWFKEGWRAHF-UHFFFAOYSA-N 0 0 379.529 5.680 50 0 GKAARN CC[C@H](C)n1c2nc(-c3ccc(F)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603943 210351245 /nfs/dbraw/zinc/35/12/45/210351245.db2.gz BELCKXSXRYRLJU-VIFPVBQESA-N 0 0 379.407 5.169 50 0 GKAARN CCn1cc(-c2cc(C(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cn1 ZINC000020602945 210350907 /nfs/dbraw/zinc/35/09/07/210350907.db2.gz FSDGDTOJSKIFQX-UHFFFAOYSA-N 0 0 399.420 5.504 50 0 GKAARN COc1ccc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 ZINC000020604272 210350359 /nfs/dbraw/zinc/35/03/59/210350359.db2.gz XLDSDWSSYDFGTH-UHFFFAOYSA-N 0 0 383.373 5.481 50 0 GKAARN Fc1ccccc1-n1ncc2c1nc(-c1ccc(Cl)cc1)cc2C(F)(F)F ZINC000020604380 210349943 /nfs/dbraw/zinc/34/99/43/210349943.db2.gz GMTFHCQLLULNRQ-UHFFFAOYSA-N 0 0 391.755 5.899 50 0 GKAARN COc1ccc(-c2nc(CSCc3csc(C)c3C)c(C)o2)cc1OC ZINC000020557780 210348987 /nfs/dbraw/zinc/34/89/87/210348987.db2.gz LPNOWCLEKDNDCG-UHFFFAOYSA-N 0 0 389.542 5.779 50 0 GKAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cccc(Cl)c1 ZINC000020531979 210344148 /nfs/dbraw/zinc/34/41/48/210344148.db2.gz GQCFDSLKOSRVGJ-UHFFFAOYSA-N 0 0 380.900 5.340 50 0 GKAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCc2ccccc2C)nn1 ZINC000020515780 210342927 /nfs/dbraw/zinc/34/29/27/210342927.db2.gz JFKULWKOJKKAEW-UHFFFAOYSA-N 0 0 389.549 6.176 50 0 GKAARN O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccccc1 ZINC000004078225 208535904 /nfs/dbraw/zinc/53/59/04/208535904.db2.gz HBGOPCJVHKWGTO-UHFFFAOYSA-N 0 0 395.431 5.102 50 0 GKAARN CC[C@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)c2cc(Cl)ccc2O1 ZINC000020489396 210341642 /nfs/dbraw/zinc/34/16/42/210341642.db2.gz SBJJKKSANUMOKF-LBPRGKRZSA-N 0 0 384.785 5.568 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1n[nH]c2c1CCCC2 ZINC000004341025 208543706 /nfs/dbraw/zinc/54/37/06/208543706.db2.gz UPJYUGXWFHPOLH-UHFFFAOYSA-N 0 0 385.389 5.227 50 0 GKAARN C[C@@H](CCc1ccccc1)Nc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329947 210329987 /nfs/dbraw/zinc/32/99/87/210329987.db2.gz TYUGWLPFJCMYSO-AWEZNQCLSA-N 0 0 378.863 5.371 50 0 GKAARN COc1ccccc1N[C@@H](c1nnc(-c2ccccc2F)o1)c1ccccc1 ZINC000020275055 210327213 /nfs/dbraw/zinc/32/72/13/210327213.db2.gz KAJSFGVNNHMPHP-HXUWFJFHSA-N 0 0 375.403 5.086 50 0 GKAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2Cl)cc1 ZINC000020319550 210327027 /nfs/dbraw/zinc/32/70/27/210327027.db2.gz XRUYITKRXYLXFV-LJQANCHMSA-N 0 0 384.266 5.468 50 0 GKAARN Cc1ccc([C@@H]2N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)N3CCCN23)cc1 ZINC000020321079 210326865 /nfs/dbraw/zinc/32/68/65/210326865.db2.gz LYIQKTKAABOVCV-KRWDZBQOSA-N 0 0 395.812 5.229 50 0 GKAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c(Cl)c2)n1Cc1cccs1 ZINC000020319806 210325802 /nfs/dbraw/zinc/32/58/02/210325802.db2.gz IIXDUYLINAKQHI-KRWDZBQOSA-N 0 0 390.295 5.217 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NCCc1ccccc1 ZINC000020407023 210332061 /nfs/dbraw/zinc/33/20/61/210332061.db2.gz CGFSMNRSALVFLW-UHFFFAOYSA-N 0 0 385.389 5.007 50 0 GKAARN CCOc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)c1O ZINC000020380363 210331842 /nfs/dbraw/zinc/33/18/42/210331842.db2.gz CBLUPAUYJLWFMT-UHFFFAOYSA-N 0 0 386.860 5.260 50 0 GKAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@H]2CCCc3ccccc32)c(F)c1 ZINC000020149872 210319675 /nfs/dbraw/zinc/31/96/75/210319675.db2.gz QJMGUBJPWJYLBQ-ZEQRLZLVSA-N 0 0 386.470 5.778 50 0 GKAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC[C@H]1c1nccs1 ZINC000019953337 210311653 /nfs/dbraw/zinc/31/16/53/210311653.db2.gz MWFNCJIWRAHJSF-INIZCTEOSA-N 0 0 393.434 5.462 50 0 GKAARN Clc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 ZINC000019835438 210301711 /nfs/dbraw/zinc/30/17/11/210301711.db2.gz PIQAXVNNAWKYRJ-QHCPKHFHSA-N 0 0 390.918 5.056 50 0 GKAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(C(F)(F)F)cc1 ZINC000019927087 210309250 /nfs/dbraw/zinc/30/92/50/210309250.db2.gz HEEMQYHUMTUGAF-OAHLLOKOSA-N 0 0 392.229 5.791 50 0 GKAARN Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000019912183 210306451 /nfs/dbraw/zinc/30/64/51/210306451.db2.gz POSXOANVMSYICF-RBBKRZOGSA-N 0 0 395.289 6.236 50 0 GKAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1cccc(C(F)(F)F)c1 ZINC000019926933 210306100 /nfs/dbraw/zinc/30/61/00/210306100.db2.gz LVIXUJPIRKQSLK-OAHLLOKOSA-N 0 0 392.229 5.791 50 0 GKAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc(O)c1 ZINC000019771701 210294761 /nfs/dbraw/zinc/29/47/61/210294761.db2.gz WFKQQUMQMKTUJD-RUZDIDTESA-N 0 0 384.479 5.030 50 0 GKAARN CC[C@H](C)c1ccccc1O[C@@H](C)CNc1cccc(OCc2ccccc2)c1 ZINC000019738476 210291834 /nfs/dbraw/zinc/29/18/34/210291834.db2.gz RAFCYMBKLIIZOO-SFTDATJTSA-N 0 0 389.539 6.659 50 0 GKAARN Cc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1C ZINC000006216430 208677216 /nfs/dbraw/zinc/67/72/16/208677216.db2.gz YDLQJEJCPFYCQR-UHFFFAOYSA-N 0 0 391.323 5.915 50 0 GKAARN CC(C)(C)c1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000005825370 208672455 /nfs/dbraw/zinc/67/24/55/208672455.db2.gz BOWUGUHDNKFSSO-LDADJPATSA-N 0 0 385.916 5.874 50 0 GKAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008744889 208697539 /nfs/dbraw/zinc/69/75/39/208697539.db2.gz DKKYSAPOIVVLAD-KRWDZBQOSA-N 0 0 392.455 5.673 50 0 GKAARN CCn1c(=O)c2c(-c3cccs3)csc2nc1S[C@@H](C)c1ccccc1 ZINC000007780149 208690862 /nfs/dbraw/zinc/69/08/62/208690862.db2.gz WTIYNQRWNZUQTQ-ZDUSSCGKSA-N 0 0 398.578 6.060 50 0 GKAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCCCCC4)c23)cc1 ZINC000008131925 208694220 /nfs/dbraw/zinc/69/42/20/208694220.db2.gz PZFBQRDDZOWVNE-UHFFFAOYSA-N 0 0 397.569 5.161 50 0 GKAARN CCOC(=O)c1cc(C)sc1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000001190445 208707366 /nfs/dbraw/zinc/70/73/66/208707366.db2.gz YOOBYVIUFCIHRQ-UHFFFAOYSA-N 0 0 397.880 5.493 50 0 GKAARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1Cl ZINC000005478733 208722008 /nfs/dbraw/zinc/72/20/08/208722008.db2.gz QUNHHUPLELTUFU-UHFFFAOYSA-N 0 0 394.858 5.162 50 0 GKAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)oc21 ZINC000010749335 208759686 /nfs/dbraw/zinc/75/96/86/208759686.db2.gz HEIVSFHBWXUSLZ-UHFFFAOYSA-N 0 0 398.871 5.861 50 0 GKAARN CCSc1nc(-c2ccccc2)c(NC(=O)COc2ccccc2F)s1 ZINC000012891243 208777920 /nfs/dbraw/zinc/77/79/20/208777920.db2.gz DQMLFTOTZCKRQC-UHFFFAOYSA-N 0 0 388.489 5.079 50 0 GKAARN Cc1ccc2cccc(OCCCCOc3c(Cl)cccc3Cl)c2n1 ZINC000013285138 208783415 /nfs/dbraw/zinc/78/34/15/208783415.db2.gz DZXHZOUCHCHZDA-UHFFFAOYSA-N 0 0 376.283 6.088 50 0 GKAARN Cc1nnc(S[C@@H](C)c2nc3ccccc3n2C(F)F)n1Cc1ccccc1 ZINC000054517011 208813927 /nfs/dbraw/zinc/81/39/27/208813927.db2.gz XXJIPAKDEVPJSE-ZDUSSCGKSA-N 0 0 399.470 5.233 50 0 GKAARN Nc1c2cc3c(nc2sc1C(=O)N(c1ccccc1)c1ccccc1)CCCC3 ZINC000000689558 220452035 /nfs/dbraw/zinc/45/20/35/220452035.db2.gz QIIJMAKJPVFLHZ-UHFFFAOYSA-N 0 0 399.519 5.736 50 0 GKAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccsc1 ZINC000217652082 208828657 /nfs/dbraw/zinc/82/86/57/208828657.db2.gz RVFYOMXBIGNXAX-UHFFFAOYSA-N 0 0 380.469 5.930 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Br)c1 ZINC000000834066 220461920 /nfs/dbraw/zinc/46/19/20/220461920.db2.gz HZCSFFUMANARCU-UHFFFAOYSA-N 0 0 378.575 5.374 50 0 GKAARN Cc1ccc(N2C(=O)[C@H](Oc3ccccc3)[C@@H]2c2ccccc2Cl)cc1C ZINC000000729545 220455422 /nfs/dbraw/zinc/45/54/22/220455422.db2.gz KSDZFGZAJSMAHR-FCHUYYIVSA-N 0 0 377.871 5.492 50 0 GKAARN Cc1cc(C)cc(Nc2c(=O)n(C)c3cccc4c3c2-c2ccccc2C4=O)c1 ZINC000000729846 220456389 /nfs/dbraw/zinc/45/63/89/220456389.db2.gz IXJMLCWXDCTYQD-UHFFFAOYSA-N 0 0 380.447 5.110 50 0 GKAARN O=C(c1ccccc1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000000744399 220457867 /nfs/dbraw/zinc/45/78/67/220457867.db2.gz UXRKKMBZDZXPAH-HSZRJFAPSA-N 0 0 388.417 5.234 50 0 GKAARN CCCC(=O)N[C@@H](c1ccc(C)cc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000000855817 220461686 /nfs/dbraw/zinc/46/16/86/220461686.db2.gz XMPHDRPBFOKXBF-DEOSSOPVSA-N 0 0 375.468 5.079 50 0 GKAARN Cc1cc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc(C)c1Cl ZINC000000950692 220470479 /nfs/dbraw/zinc/47/04/79/220470479.db2.gz IJUZZIMGSXRGHE-UHFFFAOYSA-N 0 0 386.831 5.417 50 0 GKAARN O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccc(Br)cc2)o1 ZINC000000973428 220472864 /nfs/dbraw/zinc/47/28/64/220472864.db2.gz RUNIDTGZGLTHME-UHFFFAOYSA-N 0 0 393.240 5.374 50 0 GKAARN O=C(Nc1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000001016646 220474193 /nfs/dbraw/zinc/47/41/93/220474193.db2.gz WQXFMDRKTHGKBR-NRFANRHFSA-N 0 0 377.394 5.348 50 0 GKAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000001126832 220476479 /nfs/dbraw/zinc/47/64/79/220476479.db2.gz HPHHYBBROXKCPS-UHFFFAOYSA-N 0 0 384.785 5.206 50 0 GKAARN COc1ccc(CSc2nnc(SCc3cccc(OC)c3)s2)cc1 ZINC000001301117 220485814 /nfs/dbraw/zinc/48/58/14/220485814.db2.gz CYTBXNFVLDBFLA-UHFFFAOYSA-N 0 0 390.555 5.140 50 0 GKAARN CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1 ZINC000001296086 220485830 /nfs/dbraw/zinc/48/58/30/220485830.db2.gz FSQKFCVEZTZXQZ-IZZNHLLZSA-N 0 0 393.571 5.507 50 0 biogenic GKAARN Cc1cc(-c2noc(-c3sc4ccccc4c3Cl)n2)c2ccccc2n1 ZINC000001423959 220496567 /nfs/dbraw/zinc/49/65/67/220496567.db2.gz ZMXIZBUGXPUGDT-UHFFFAOYSA-N 0 0 377.856 6.128 50 0 GKAARN CCCOc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000001854221 220500704 /nfs/dbraw/zinc/50/07/04/220500704.db2.gz HLKCKRWKDAIAGJ-UHFFFAOYSA-N 0 0 388.492 6.004 50 0 GKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000002206094 220509628 /nfs/dbraw/zinc/50/96/28/220509628.db2.gz RXFOIFNXARPGJI-UHFFFAOYSA-N 0 0 395.289 6.726 50 0 GKAARN CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000002093631 220502393 /nfs/dbraw/zinc/50/23/93/220502393.db2.gz UZJRTVWYPVUHMF-UHFFFAOYSA-N 0 0 385.866 6.069 50 0 GKAARN Cc1ccc2c(c1)oc(-c1ccc3c(c1)OCCO3)c/c2=N\Nc1ccccc1 ZINC000002090477 220502998 /nfs/dbraw/zinc/50/29/98/220502998.db2.gz CWGAQMXINBTMHP-LHLOQNFPSA-N 0 0 384.435 5.107 50 0 biogenic GKAARN Fc1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002093799 220503539 /nfs/dbraw/zinc/50/35/39/220503539.db2.gz TZYFGYZMMKTBIL-UHFFFAOYSA-N 0 0 399.465 6.809 50 0 GKAARN CCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 ZINC000002095494 220503598 /nfs/dbraw/zinc/50/35/98/220503598.db2.gz ZDBFANQONCZNPE-UHFFFAOYSA-N 0 0 380.557 5.505 50 0 biogenic GKAARN Brc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000002166206 220507062 /nfs/dbraw/zinc/50/70/62/220507062.db2.gz ZNSPMOPHKPFZSK-UHFFFAOYSA-N 0 0 388.268 5.635 50 0 GKAARN CCCCNC(=O)n1nc(SC)cc1-c1sc(-c2cccs2)nc1C ZINC000002151508 220507371 /nfs/dbraw/zinc/50/73/71/220507371.db2.gz VBNJNZPRAJXJNT-UHFFFAOYSA-N 0 0 392.575 5.123 50 0 GKAARN COc1ccc(NC(=O)C[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000002213656 220511645 /nfs/dbraw/zinc/51/16/45/220511645.db2.gz UXARHQVOOSFQOQ-VWNXMTODSA-N 0 0 381.516 5.105 50 0 GKAARN Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)cc1 ZINC000002246575 220513574 /nfs/dbraw/zinc/51/35/74/220513574.db2.gz KXQIWLRAZIYCOJ-UHFFFAOYSA-N 0 0 388.833 5.487 50 0 GKAARN Cc1ccc(Cl)cc1-n1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 ZINC000002256766 220514808 /nfs/dbraw/zinc/51/48/08/220514808.db2.gz RTLLJSSKMKCKPG-UHFFFAOYSA-N 0 0 388.833 5.737 50 0 GKAARN CCCc1nc2sc3c(ncnc3N3CCCCC3)c2c2c1COC(C)(C)C2 ZINC000002254779 220515062 /nfs/dbraw/zinc/51/50/62/220515062.db2.gz TZFZESIRLBPRQG-UHFFFAOYSA-N 0 0 396.560 5.034 50 0 GKAARN Cc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1C ZINC000002266802 220515284 /nfs/dbraw/zinc/51/52/84/220515284.db2.gz MNIBSNBXFYZBRC-UHFFFAOYSA-N 0 0 394.305 6.964 50 0 GKAARN CC(=O)CSc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1 ZINC000002264699 220516383 /nfs/dbraw/zinc/51/63/83/220516383.db2.gz AGYLABIWRINXBD-UHFFFAOYSA-N 0 0 392.505 5.383 50 0 GKAARN O=c1oc(-c2ccc(-c3ccccc3)cc2)nc2scc(-c3ccccc3)c21 ZINC000002277633 220517390 /nfs/dbraw/zinc/51/73/90/220517390.db2.gz YFPRGIVAZWEOLV-UHFFFAOYSA-N 0 0 381.456 6.251 50 0 GKAARN CCc1cc2c(cc1OCc1ccccc1F)occ(-c1nc(C)cs1)c2=O ZINC000002289228 220520755 /nfs/dbraw/zinc/52/07/55/220520755.db2.gz CZANJNLIWMKFQK-UHFFFAOYSA-N 0 0 395.455 5.505 50 0 GKAARN c1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@]34Oc3ccccc3N24)cc1 ZINC000002279305 220517653 /nfs/dbraw/zinc/51/76/53/220517653.db2.gz AHIXHZXYZJAXJS-NOTUOJBMSA-N 0 0 379.503 6.610 50 0 GKAARN CCSC1=N[C@H](c2ccccc2)N2C(SCC)=N[C@H](c3ccccc3)N12 ZINC000002269834 220518595 /nfs/dbraw/zinc/51/85/95/220518595.db2.gz ZMEHYPGGMMIFKA-ROUUACIJSA-N 0 0 382.558 5.148 50 0 GKAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000002304814 220519139 /nfs/dbraw/zinc/51/91/39/220519139.db2.gz CJCDIQLJQXHIHQ-UHFFFAOYSA-N 0 0 381.262 5.668 50 0 GKAARN Clc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000002289633 220520961 /nfs/dbraw/zinc/52/09/61/220520961.db2.gz HYWGQRLBCZQWCL-UHFFFAOYSA-N 0 0 394.699 6.985 50 0 GKAARN CC(C)=CCC/C(C)=C/COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000002327653 220522790 /nfs/dbraw/zinc/52/27/90/220522790.db2.gz PIBZWASZTNBUIC-LFIBNONCSA-N 0 0 386.919 6.397 50 0 GKAARN Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)c1 ZINC000002308213 220523015 /nfs/dbraw/zinc/52/30/15/220523015.db2.gz CPQCRNIADPDRDO-UHFFFAOYSA-N 0 0 395.502 6.861 50 0 GKAARN O=c1cc(-c2ccccc2)c2cc3c(cc2o1)occ3-c1ccc2ccccc2c1 ZINC000002332504 220524570 /nfs/dbraw/zinc/52/45/70/220524570.db2.gz PBFPQESEWRHBCV-UHFFFAOYSA-N 0 0 388.422 7.026 50 0 GKAARN COc1ccccc1-c1nnc(SCc2cccc(F)c2)n1-c1ccccc1 ZINC000002339620 220524926 /nfs/dbraw/zinc/52/49/26/220524926.db2.gz PMJJDOACZOTXEC-UHFFFAOYSA-N 0 0 391.471 5.374 50 0 GKAARN COc1cccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 ZINC000002405679 220532398 /nfs/dbraw/zinc/53/23/98/220532398.db2.gz HWACSTJFYRVHGP-UHFFFAOYSA-N 0 0 397.887 5.310 50 0 GKAARN CC(C)c1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 ZINC000002500124 220539070 /nfs/dbraw/zinc/53/90/70/220539070.db2.gz YEDGMPJRXHCPHI-RTBURBONSA-N 0 0 397.320 5.310 50 0 GKAARN Cc1ccc(OCCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000002648075 220547401 /nfs/dbraw/zinc/54/74/01/220547401.db2.gz QIVBQEDUDKTXKG-UHFFFAOYSA-N 0 0 399.519 5.685 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000002654994 220548529 /nfs/dbraw/zinc/54/85/29/220548529.db2.gz OPSROGXNWRESPK-UHFFFAOYSA-N 0 0 396.475 5.401 50 0 GKAARN Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(Br)c1 ZINC000002647060 220549155 /nfs/dbraw/zinc/54/91/55/220549155.db2.gz GIZFMMIORWQTKY-UHFFFAOYSA-N 0 0 396.284 5.589 50 0 GKAARN CCCC(=O)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002667169 220551736 /nfs/dbraw/zinc/55/17/36/220551736.db2.gz NKQGQPYKRCYODV-NSHDSACASA-N 0 0 378.514 5.018 50 0 GKAARN c1ccc(CCn2c(COc3cccc4ccccc43)nc3ccccc32)cc1 ZINC000002695649 220551829 /nfs/dbraw/zinc/55/18/29/220551829.db2.gz WDRCMIPVGUPOEK-UHFFFAOYSA-N 0 0 378.475 6.011 50 0 GKAARN Cc1cccc(-c2nnn3c2nc(NC[C@H](C)c2ccccc2)c2ccccc23)c1 ZINC000002692526 220552080 /nfs/dbraw/zinc/55/20/80/220552080.db2.gz KWGKGXYRONSGOY-SFHVURJKSA-N 0 0 393.494 5.469 50 0 GKAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000002752376 220559915 /nfs/dbraw/zinc/55/99/15/220559915.db2.gz XLDYEDNTHZYNHI-UHFFFAOYSA-N 0 0 399.534 5.762 50 0 GKAARN S=C1NC2(CCCCCCCCCCC2)NN1c1nc2ccccc2s1 ZINC000002768883 220562923 /nfs/dbraw/zinc/56/29/23/220562923.db2.gz NAZRRBYKFKOZHR-UHFFFAOYSA-N 0 0 388.606 5.496 50 0 GKAARN O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1cc(Cl)ccc1Cl ZINC000032719646 208988893 /nfs/dbraw/zinc/98/88/93/208988893.db2.gz HIFRECXORXSKKG-UHFFFAOYSA-N 0 0 395.267 5.017 50 0 GKAARN O=C(C1c2ccccc2Oc2ccccc21)N(Cc1ccco1)Cc1ccccn1 ZINC000062018085 209000931 /nfs/dbraw/zinc/00/09/31/209000931.db2.gz GNMIQWGCQBMROV-UHFFFAOYSA-N 0 0 396.446 5.141 50 0 GKAARN Cc1cc(C)cc(OC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)c1 ZINC000064666262 209002445 /nfs/dbraw/zinc/00/24/45/209002445.db2.gz WDQZXTMKPHTPSC-UHFFFAOYSA-N 0 0 380.444 5.277 50 0 GKAARN Cc1ccc(OC(=O)c2cn(-c3cccc(Cl)c3)c(=O)c3ccccc23)cc1 ZINC000064977309 209002755 /nfs/dbraw/zinc/00/27/55/209002755.db2.gz ZMUAJQMZNJPLEN-UHFFFAOYSA-N 0 0 389.838 5.172 50 0 GKAARN CC(C)c1nc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2o1 ZINC000064968260 209003086 /nfs/dbraw/zinc/00/30/86/209003086.db2.gz RPWBPOCLNGKDTD-UHFFFAOYSA-N 0 0 377.213 5.105 50 0 GKAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n(C2CCCC2)n1 ZINC000032610705 208990418 /nfs/dbraw/zinc/99/04/18/208990418.db2.gz FMISWURYLLBJJM-GFCCVEGCSA-N 0 0 382.291 5.019 50 0 GKAARN Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(Nc4ccccc4)cc3)o2)cc1 ZINC000032843960 208990663 /nfs/dbraw/zinc/99/06/63/208990663.db2.gz AALKIRPOBQZNFO-UHFFFAOYSA-N 0 0 398.466 5.360 50 0 GKAARN Cc1ccc(C(=O)[C@H](OC(=O)Cc2cccc(F)c2)c2ccc(C)cc2)cc1 ZINC000032954328 208990956 /nfs/dbraw/zinc/99/09/56/208990956.db2.gz DXVFSXGAXZJCCC-XMMPIXPASA-N 0 0 376.427 5.152 50 0 GKAARN C[C@H](NC(=O)COc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000032956326 208991524 /nfs/dbraw/zinc/99/15/24/208991524.db2.gz NJGPZJGYFPZGTD-PGBBXINNSA-N 0 0 382.331 5.093 50 0 GKAARN Cc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)s1 ZINC000002810822 220569895 /nfs/dbraw/zinc/56/98/95/220569895.db2.gz RRWUMKFGTJQKBA-XMMPIXPASA-N 0 0 395.483 6.498 50 0 GKAARN Cc1ccc(NC(=O)CSc2nccc(-c3ccc4ccccc4c3)n2)cc1 ZINC000002805540 220570213 /nfs/dbraw/zinc/57/02/13/220570213.db2.gz PYPYSKWMKBOEBW-UHFFFAOYSA-N 0 0 385.492 5.336 50 0 GKAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCCC1 ZINC000002812402 220570700 /nfs/dbraw/zinc/57/07/00/220570700.db2.gz FNHUNCKPPUDQBN-LJQANCHMSA-N 0 0 375.299 5.893 50 0 GKAARN Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3C)c3c(C)cccc32)cc1 ZINC000002992425 220593384 /nfs/dbraw/zinc/59/33/84/220593384.db2.gz WKQCNSAZNDTQPH-YKSBVNFPSA-N 0 0 384.523 6.204 50 0 GKAARN Clc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N3[C@H]2[C@@H]3c2ccccc2)cc1 ZINC000230068293 209004674 /nfs/dbraw/zinc/00/46/74/209004674.db2.gz JHQYJDJZYHYJDQ-MGLHCMEQSA-N 0 0 379.290 5.920 50 0 GKAARN COc1cc(C)ccc1OCCOCCOc1c(C)cc(Cl)cc1Cl ZINC000002985168 220593729 /nfs/dbraw/zinc/59/37/29/220593729.db2.gz FSTIGSFEYWSBQR-UHFFFAOYSA-N 0 0 385.287 5.093 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000014077426 209005039 /nfs/dbraw/zinc/00/50/39/209005039.db2.gz ARTNTPKRLLQXKM-UYAOXDASSA-N 0 0 390.449 5.258 50 0 GKAARN CCOc1ccccc1N1CCN(C(=S)Nc2ccc([C@H](C)CC)cc2)CC1 ZINC000002853101 220574789 /nfs/dbraw/zinc/57/47/89/220574789.db2.gz AJAHHLWYPDJFOW-GOSISDBHSA-N 0 0 397.588 5.118 50 0 GKAARN O=c1c2sccc2nc(SCc2cccc(F)c2)n1-c1ccc(F)cc1 ZINC000002908875 220580814 /nfs/dbraw/zinc/58/08/14/220580814.db2.gz OIQSPGIHICOCGT-UHFFFAOYSA-N 0 0 386.448 5.018 50 0 GKAARN Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000002900961 220581397 /nfs/dbraw/zinc/58/13/97/220581397.db2.gz UCISDMVYLASYCE-UHFFFAOYSA-N 0 0 388.470 6.783 50 0 biogenic GKAARN Cc1cccc(NCC(=O)Nc2ncc(Cc3cccc4ccccc43)s2)c1 ZINC000002887773 220581878 /nfs/dbraw/zinc/58/18/78/220581878.db2.gz JIRGBQIORNGRPT-UHFFFAOYSA-N 0 0 387.508 5.246 50 0 GKAARN O=C(CNc1ccccc1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000002887566 220581941 /nfs/dbraw/zinc/58/19/41/220581941.db2.gz PXSXAAIGKIMMAZ-UHFFFAOYSA-N 0 0 392.311 5.091 50 0 GKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000002919845 220582696 /nfs/dbraw/zinc/58/26/96/220582696.db2.gz QMKNVCTUKNNHDA-QHCPKHFHSA-N 0 0 385.898 6.363 50 0 GKAARN Clc1ccc(CSc2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000002932983 220585124 /nfs/dbraw/zinc/58/51/24/220585124.db2.gz CFMMZAKMXZICMZ-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN Cc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2n1-c1cccc(F)c1 ZINC000002926477 220585620 /nfs/dbraw/zinc/58/56/20/220585620.db2.gz CWQGXCHDIQHAOD-UHFFFAOYSA-N 0 0 377.463 5.093 50 0 GKAARN CC(C)(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002948404 220587553 /nfs/dbraw/zinc/58/75/53/220587553.db2.gz OMDOANNKEJJTIF-SFHVURJKSA-N 0 0 380.340 6.070 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000002978012 220591706 /nfs/dbraw/zinc/59/17/06/220591706.db2.gz UWURIYATPFLOMW-OAHLLOKOSA-N 0 0 392.326 5.242 50 0 GKAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl ZINC000002979601 220591887 /nfs/dbraw/zinc/59/18/87/220591887.db2.gz AIJSUEHLGMJKNV-UHFFFAOYSA-N 0 0 378.177 5.663 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)oc2c(C)c1 ZINC000002986477 220592946 /nfs/dbraw/zinc/59/29/46/220592946.db2.gz ZJTNPEQDOONMNL-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN CCCCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)C(F)F)cc1 ZINC000003003675 220595599 /nfs/dbraw/zinc/59/55/99/220595599.db2.gz PHHAEOGFKASCGR-UHFFFAOYSA-N 0 0 385.357 5.355 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)CSc1ccc(Cl)cc1 ZINC000003027544 220599155 /nfs/dbraw/zinc/59/91/55/220599155.db2.gz XHBFDJSNMGQVIR-GFCCVEGCSA-N 0 0 399.412 6.017 50 0 GKAARN CCc1ccc2nc(N3CCC(C(=O)NC4CCCCCCC4)CC3)sc2c1 ZINC000003041104 220599600 /nfs/dbraw/zinc/59/96/00/220599600.db2.gz FXNCRMSUIBBDAA-UHFFFAOYSA-N 0 0 399.604 5.304 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2o1)c1cccc(Br)c1 ZINC000003042696 220599650 /nfs/dbraw/zinc/59/96/50/220599650.db2.gz HVCQNIDDFQMJTA-UHFFFAOYSA-N 0 0 393.240 5.510 50 0 GKAARN Cc1c(-c2ccccc2)nnn1-c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000003170851 220606574 /nfs/dbraw/zinc/60/65/74/220606574.db2.gz PJOGKHSJWPBHGL-UHFFFAOYSA-N 0 0 396.277 6.342 50 0 GKAARN CC(C)(C)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000003135127 220606765 /nfs/dbraw/zinc/60/67/65/220606765.db2.gz CDLNKOZZBYRHOC-UHFFFAOYSA-N 0 0 398.575 7.334 50 0 GKAARN CCCCCCC(=O)N[C@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000003147789 220607163 /nfs/dbraw/zinc/60/71/63/220607163.db2.gz GKHLUIWFRMLQLO-INIZCTEOSA-N 0 0 379.759 5.498 50 0 GKAARN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccccc1Cl ZINC000003147293 220607376 /nfs/dbraw/zinc/60/73/76/220607376.db2.gz URPHMSZVDHFNIF-OQLLNIDSSA-N 0 0 379.268 5.099 50 0 GKAARN CCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=N[C@H](C)CS1 ZINC000003259388 220617569 /nfs/dbraw/zinc/61/75/69/220617569.db2.gz HQYDKFFPSWZXSM-CYBMUJFWSA-N 0 0 389.908 5.269 50 0 GKAARN Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c(C)o1 ZINC000003224055 220611370 /nfs/dbraw/zinc/61/13/70/220611370.db2.gz NFNFFRYYCOASTJ-FQEVSTJZSA-N 0 0 397.858 5.395 50 0 aggregator GKAARN O=C(c1cc2c(s1)CCC2)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000003230499 220612300 /nfs/dbraw/zinc/61/23/00/220612300.db2.gz PGBQRMUMTWYGFL-UHFFFAOYSA-N 0 0 383.925 6.333 50 0 GKAARN Cc1cc(OCC(=O)Nc2ccccc2C)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003233819 220612400 /nfs/dbraw/zinc/61/24/00/220612400.db2.gz JWOGJOCLVUOZMJ-UHFFFAOYSA-N 0 0 399.446 5.094 50 0 GKAARN Cc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)cc1 ZINC000003234871 220612561 /nfs/dbraw/zinc/61/25/61/220612561.db2.gz AXVCCDSMLQDCKM-UHFFFAOYSA-N 0 0 398.557 5.124 50 0 GKAARN O=C1N[C@@H](c2ccccc2)Nc2c1sc1nc(C3CC3)cc(-c3ccccc3)c12 ZINC000003251738 220615624 /nfs/dbraw/zinc/61/56/24/220615624.db2.gz JFSPZGXAVIMBOW-QFIPXVFZSA-N 0 0 397.503 5.695 50 0 GKAARN O=C(CSc1ncnc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003253717 220615744 /nfs/dbraw/zinc/61/57/44/220615744.db2.gz VNYUJXYERWXHOX-UHFFFAOYSA-N 0 0 397.809 5.033 50 0 GKAARN O=C(NCc1ccccc1Cl)/C(=C\c1ccccc1Cl)c1ccccc1 ZINC000003350248 220632124 /nfs/dbraw/zinc/63/21/24/220632124.db2.gz LMHXBSJLBXMTET-RGEXLXHISA-N 0 0 382.290 5.850 50 0 GKAARN CSc1ncccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000003366661 220635872 /nfs/dbraw/zinc/63/58/72/220635872.db2.gz IFEIKWXOTCQUGK-UHFFFAOYSA-N 0 0 377.494 5.333 50 0 GKAARN 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382.463 5.245 50 0 GKAARN Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000004911431 220789551 /nfs/dbraw/zinc/78/95/51/220789551.db2.gz ZNGXSVGJTSHNOL-VRHCTWJESA-N 0 0 385.891 5.235 50 0 GKAARN CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000004911194 220789569 /nfs/dbraw/zinc/78/95/69/220789569.db2.gz LAYLPWQDYZYNQD-WMLDXEAASA-N 0 0 381.516 5.489 50 0 GKAARN CCOc1ccc(NC(=S)N(Cc2cn(CC)c3ccccc23)C(C)C)cc1 ZINC000004913466 220789708 /nfs/dbraw/zinc/78/97/08/220789708.db2.gz DJOLHOHDPVFAAB-UHFFFAOYSA-N 0 0 395.572 5.667 50 0 GKAARN Cc1ccc(C)c(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004915162 220791418 /nfs/dbraw/zinc/79/14/18/220791418.db2.gz HNEUZOHRPZCALD-JOCHJYFZSA-N 0 0 376.887 5.724 50 0 GKAARN Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1C ZINC000004914848 220791605 /nfs/dbraw/zinc/79/16/05/220791605.db2.gz JOVZSZKHGLZQAP-QFIPXVFZSA-N 0 0 376.887 5.724 50 0 GKAARN CCC1=Nc2cc(C(=O)N3CCc4ccccc43)ccc2Sc2ccc(C)cc21 ZINC000004930162 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C[C@H](NC(=O)c1ccccc1OCc1cscn1)C12CC3CC(CC(C3)C1)C2 ZINC000007990212 221022124 /nfs/dbraw/zinc/02/21/24/221022124.db2.gz WHGBGTDTWJNQBB-SCUMNGBJSA-N 0 0 396.556 5.057 50 0 GKAARN Fc1ccc(-c2cnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000008005199 221023216 /nfs/dbraw/zinc/02/32/16/221023216.db2.gz GGFQADVZOLATKG-SFHVURJKSA-N 0 0 393.487 5.818 50 0 GKAARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000008040777 221024508 /nfs/dbraw/zinc/02/45/08/221024508.db2.gz NCXKWJKVJYQTDB-IBGZPJMESA-N 0 0 377.440 5.284 50 0 GKAARN O=C(COCc1nc2ccccc2s1)Nc1ccccc1Cc1ccccc1 ZINC000008061114 221024813 /nfs/dbraw/zinc/02/48/13/221024813.db2.gz YHMRSICMDHRKBK-UHFFFAOYSA-N 0 0 388.492 5.042 50 0 GKAARN Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C1CC1 ZINC000008042072 221025118 /nfs/dbraw/zinc/02/51/18/221025118.db2.gz GQCLDFOPDIIKCT-UHFFFAOYSA-N 0 0 377.513 5.579 50 0 GKAARN O=C(c1ccc(OC(F)F)cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115254 221026845 /nfs/dbraw/zinc/02/68/45/221026845.db2.gz 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Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008324472 221037296 /nfs/dbraw/zinc/03/72/96/221037296.db2.gz BPMDZDZBGGAVDA-UHFFFAOYSA-N 0 0 392.480 5.412 50 0 GKAARN O=C(Cc1ccsc1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000008323938 221037317 /nfs/dbraw/zinc/03/73/17/221037317.db2.gz LKLXZZFDZNZZLM-SFHVURJKSA-N 0 0 394.927 5.374 50 0 GKAARN Cc1cc(C(=O)CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(C)s1 ZINC000008326226 221037464 /nfs/dbraw/zinc/03/74/64/221037464.db2.gz HATZSSBVDZPXAM-UHFFFAOYSA-N 0 0 385.485 5.008 50 0 GKAARN Cc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc32)cc1NC(=O)c1ccco1 ZINC000008340698 221037904 /nfs/dbraw/zinc/03/79/04/221037904.db2.gz RNKLUSOXRFICBC-KRWDZBQOSA-N 0 0 398.462 5.485 50 0 GKAARN Cc1c(Cl)c(CSc2nnc(Cc3ccccc3)n2C)nc2ccccc12 ZINC000008334421 221038428 /nfs/dbraw/zinc/03/84/28/221038428.db2.gz LENYRSRULKUSPY-UHFFFAOYSA-N 0 0 394.931 5.208 50 0 GKAARN COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc(Cl)c1OC(C)C ZINC000008392889 221039675 /nfs/dbraw/zinc/03/96/75/221039675.db2.gz 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/nfs/dbraw/zinc/18/64/86/221186486.db2.gz NVEQMUQLYKUICP-FCDQGJHFSA-N 0 0 382.301 6.096 50 0 GKAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1-c1cccc(Br)c1 ZINC000012383936 221187818 /nfs/dbraw/zinc/18/78/18/221187818.db2.gz KJMQTYFKIABGCZ-HNNXBMFYSA-N 0 0 377.285 6.075 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000012746119 221223457 /nfs/dbraw/zinc/22/34/57/221223457.db2.gz FDCNUUDTZNBPHM-SNVBAGLBSA-N 0 0 392.311 5.311 50 0 GKAARN O=C(N[C@H](c1ccccc1)c1ccccn1)C(c1ccccc1)c1ccccc1 ZINC000012596023 221213019 /nfs/dbraw/zinc/21/30/19/221213019.db2.gz SLGFJXPVRCRQDA-RUZDIDTESA-N 0 0 378.475 5.119 50 0 GKAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3Cl)cc2)cs1 ZINC000012614366 221214127 /nfs/dbraw/zinc/21/41/27/221214127.db2.gz GLIXFUSIBWWEKF-UHFFFAOYSA-N 0 0 377.296 5.355 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012612288 221214553 /nfs/dbraw/zinc/21/45/53/221214553.db2.gz JYCICILZKGWFAS-MRXNPFEDSA-N 0 0 394.525 5.034 50 0 GKAARN Cc1ccc(-c2nc(CN3CCC(Oc4ccccc4F)CC3)c(C)o2)s1 ZINC000012613356 221214560 /nfs/dbraw/zinc/21/45/60/221214560.db2.gz FJDPUKLDTFVOFP-UHFFFAOYSA-N 0 0 386.492 5.202 50 0 GKAARN CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)o2)cc1 ZINC000012627244 221215395 /nfs/dbraw/zinc/21/53/95/221215395.db2.gz BDNOKRXFCWRHCJ-HXUWFJFHSA-N 0 0 399.450 5.003 50 0 GKAARN FC(F)(F)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000012617430 221215441 /nfs/dbraw/zinc/21/54/41/221215441.db2.gz ROWQHYIRYRWHOA-UNMCSNQZSA-N 0 0 394.396 5.948 50 0 GKAARN CC(C)c1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c(C(C)C)c1 ZINC000012626250 221215443 /nfs/dbraw/zinc/21/54/43/221215443.db2.gz TXRRRDCUACVTHT-UHFFFAOYSA-N 0 0 375.516 5.108 50 0 GKAARN C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 ZINC000012627581 221215468 /nfs/dbraw/zinc/21/54/68/221215468.db2.gz KVCZMRIYPHBYJP-MRXNPFEDSA-N 0 0 399.947 5.275 50 0 GKAARN Cc1cc(NC(=O)c2cccc(F)c2)cc(-c2nc3cc(Cl)ccc3o2)c1O ZINC000012651576 221216630 /nfs/dbraw/zinc/21/66/30/221216630.db2.gz INYHSXHPXVCZRT-UHFFFAOYSA-N 0 0 396.805 5.554 50 0 GKAARN Cc1ccc(Cl)c(NC(=O)CSc2cc(C)c3ccccc3n2)c1Cl ZINC000012658156 221218554 /nfs/dbraw/zinc/21/85/54/221218554.db2.gz SQUSCEMMXSJSBU-UHFFFAOYSA-N 0 0 391.323 5.889 50 0 GKAARN O=C(OCc1c(Cl)cccc1Cl)/C(=C/c1cccs1)c1cccs1 ZINC000012700099 221218592 /nfs/dbraw/zinc/21/85/92/221218592.db2.gz KRCOMYVYZUOEJP-JLHYYAGUSA-N 0 0 395.332 6.400 50 0 GKAARN COc1ccc(F)c(-c2nc(CN(C)Cc3nc4ccccc4s3)c(C)o2)c1 ZINC000012714900 221221540 /nfs/dbraw/zinc/22/15/40/221221540.db2.gz OGCQVYFBRYNWDM-UHFFFAOYSA-N 0 0 397.475 5.039 50 0 GKAARN O=C(Nc1ccc(Cl)c2ncccc12)c1cc(F)ccc1Br ZINC000012748457 221223380 /nfs/dbraw/zinc/22/33/80/221223380.db2.gz QIQBAAGPYNSNHQ-UHFFFAOYSA-N 0 0 379.616 5.042 50 0 GKAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000012589207 221211507 /nfs/dbraw/zinc/21/15/07/221211507.db2.gz RFRBRPBTPUWORG-SFHVURJKSA-N 0 0 384.526 5.248 50 0 GKAARN CSc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000012798045 221233851 /nfs/dbraw/zinc/23/38/51/221233851.db2.gz MSKGIACMZVGPOW-UHFFFAOYSA-N 0 0 380.494 5.208 50 0 GKAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000012754180 221225534 /nfs/dbraw/zinc/22/55/34/221225534.db2.gz JXHRWEMTUQUSHD-GFCCVEGCSA-N 0 0 388.876 5.046 50 0 GKAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1C(F)(F)F ZINC000012759473 221226527 /nfs/dbraw/zinc/22/65/27/221226527.db2.gz WKBUMAFRVMFWLQ-UHFFFAOYSA-N 0 0 391.418 5.168 50 0 GKAARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1 ZINC000012774317 221230028 /nfs/dbraw/zinc/23/00/28/221230028.db2.gz FEOZBYDHVGESJY-UHFFFAOYSA-N 0 0 393.295 5.590 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C ZINC000012785212 221231090 /nfs/dbraw/zinc/23/10/90/221231090.db2.gz WXNIHYIIEYTDAF-HNNXBMFYSA-N 0 0 395.499 5.009 50 0 GKAARN Fc1ccc(-c2nc(CSc3nnc(-c4ccc(Cl)cc4)o3)co2)cc1 ZINC000012788962 221231879 /nfs/dbraw/zinc/23/18/79/221231879.db2.gz JLKANOXALWPZGQ-UHFFFAOYSA-N 0 0 387.823 5.476 50 0 GKAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000012903049 221243872 /nfs/dbraw/zinc/24/38/72/221243872.db2.gz NZJNAMPRFCFRPE-UHFFFAOYSA-N 0 0 395.818 5.021 50 0 GKAARN CC(C)c1nn(CN(C)C(c2ccccc2)c2ccccc2)c(=S)n1C1CC1 ZINC000012808581 221234429 /nfs/dbraw/zinc/23/44/29/221234429.db2.gz HVLWMWPFJHIGSN-UHFFFAOYSA-N 0 0 392.572 5.551 50 0 GKAARN Cc1cc(C)c(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c(Cl)c1 ZINC000012819387 221237425 /nfs/dbraw/zinc/23/74/25/221237425.db2.gz KHPMXXACFLJPFF-UHFFFAOYSA-N 0 0 395.305 5.352 50 0 GKAARN C[C@@H]1CCN(C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c2ccccc2S1 ZINC000012912934 221244940 /nfs/dbraw/zinc/24/49/40/221244940.db2.gz VULOIAKYLSROSU-OAHLLOKOSA-N 0 0 382.529 5.202 50 0 GKAARN O=C(COc1ccccc1-c1ccccc1)N1CCCSc2ccccc21 ZINC000012860796 221239335 /nfs/dbraw/zinc/23/93/35/221239335.db2.gz CRPOUFXBWIKUHC-UHFFFAOYSA-N 0 0 375.493 5.261 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 ZINC000012859424 221239416 /nfs/dbraw/zinc/23/94/16/221239416.db2.gz SVJXTCFOGYIFOX-UHFFFAOYSA-N 0 0 388.914 5.514 50 0 GKAARN CSc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)c1 ZINC000012873625 221239898 /nfs/dbraw/zinc/23/98/98/221239898.db2.gz LLPLYSNKQRTKEM-UHFFFAOYSA-N 0 0 375.453 5.172 50 0 GKAARN Cc1cc(-c2cc(C(=O)N3CCc4ccccc43)c3c(C)noc3n2)c(C)s1 ZINC000012869002 221240251 /nfs/dbraw/zinc/24/02/51/221240251.db2.gz WJFJTCCOOZBHCG-UHFFFAOYSA-N 0 0 389.480 5.079 50 0 GKAARN Cc1cccc(NC(=O)[C@@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)c1 ZINC000012875186 221240281 /nfs/dbraw/zinc/24/02/81/221240281.db2.gz YPUQEOGHQSXIDH-CQSZACIVSA-N 0 0 386.904 5.564 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)cc1Cl ZINC000012865199 221240591 /nfs/dbraw/zinc/24/05/91/221240591.db2.gz QLWHMQNQVMGLOF-UHFFFAOYSA-N 0 0 399.859 5.174 50 0 GKAARN O=C(Nc1ccc(F)cc1)Nc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000012912425 221244994 /nfs/dbraw/zinc/24/49/94/221244994.db2.gz FAKBGCODPQIKPC-UHFFFAOYSA-N 0 0 382.370 5.253 50 0 GKAARN COc1ccccc1NC(=O)c1ccc(-c2cccc(Br)c2)nc1C ZINC000012895032 221241967 /nfs/dbraw/zinc/24/19/67/221241967.db2.gz OZYBHQPWPIPYRA-UHFFFAOYSA-N 0 0 397.272 5.080 50 0 GKAARN CN(CC(=O)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012921828 221246673 /nfs/dbraw/zinc/24/66/73/221246673.db2.gz UGXVESFZHNGEMG-QFIPXVFZSA-N 0 0 382.866 5.139 50 0 GKAARN O=C(/C=C/c1cccc2cccnc12)OCc1cc(-c2ccc(Cl)cc2)no1 ZINC000012927593 221247425 /nfs/dbraw/zinc/24/74/25/221247425.db2.gz COIMVOYWHAVSHA-DHZHZOJOSA-N 0 0 390.826 5.300 50 0 GKAARN COc1ccc2cc(C=CC(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)ccc2c1 ZINC000012974829 221251163 /nfs/dbraw/zinc/25/11/63/221251163.db2.gz AHZILXZJUBCSFD-USYSOWRXSA-N 0 0 394.854 5.330 50 0 GKAARN COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000012975361 221251256 /nfs/dbraw/zinc/25/12/56/221251256.db2.gz YYRMQQZRHJHOAQ-UHFFFAOYSA-N 0 0 394.268 5.281 50 0 GKAARN COC(=O)c1c(C)n(C2CC2)c(C)c1-c1csc(-c2ccccc2OC)n1 ZINC000012979108 221252410 /nfs/dbraw/zinc/25/24/10/221252410.db2.gz QZSXQTOJZYZQCO-UHFFFAOYSA-N 0 0 382.485 5.026 50 0 GKAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(F)cc1C ZINC000012989362 221252901 /nfs/dbraw/zinc/25/29/01/221252901.db2.gz IPNALARNQHIFEO-UHFFFAOYSA-N 0 0 390.867 5.384 50 0 GKAARN Cc1ccc([C@H]2CCCN2C(=O)c2csc(COc3ccc(F)cc3)n2)cc1 ZINC000012989300 221253109 /nfs/dbraw/zinc/25/31/09/221253109.db2.gz MLXCPPRMFVWZNM-HXUWFJFHSA-N 0 0 396.487 5.147 50 0 GKAARN O=c1c(-c2ccccc2)coc2cc(Oc3nccc(C(F)(F)F)n3)ccc21 ZINC000012998577 221254665 /nfs/dbraw/zinc/25/46/65/221254665.db2.gz IUXGHDGJORTUQM-UHFFFAOYSA-N 0 0 384.313 5.061 50 0 GKAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)c1ccc(F)cc1F ZINC000013000164 221255781 /nfs/dbraw/zinc/25/57/81/221255781.db2.gz XVDHXYHFMLJQSP-UHFFFAOYSA-N 0 0 380.419 5.279 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 ZINC000012910429 221245241 /nfs/dbraw/zinc/24/52/41/221245241.db2.gz QDKPMUXSVOVCQA-UHFFFAOYSA-N 0 0 388.448 5.525 50 0 GKAARN CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000013303692 221265012 /nfs/dbraw/zinc/26/50/12/221265012.db2.gz RKQCSUHXBSQICK-FJZFZJBXSA-N 0 0 399.321 6.136 50 0 GKAARN Cc1cccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCCC3)c1 ZINC000013302824 221265036 /nfs/dbraw/zinc/26/50/36/221265036.db2.gz DYCBSVPSARJILE-UHFFFAOYSA-N 0 0 377.557 5.930 50 0 GKAARN O=C(Nc1c(F)cc(F)cc1Br)c1ccc(-c2ccccc2)cc1 ZINC000013331589 221265098 /nfs/dbraw/zinc/26/50/98/221265098.db2.gz UZYKUKPPYSJFOJ-UHFFFAOYSA-N 0 0 388.211 5.647 50 0 GKAARN FC(F)Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013302540 221265220 /nfs/dbraw/zinc/26/52/20/221265220.db2.gz MHFQASXUJNBHCY-UNMCSNQZSA-N 0 0 392.405 5.530 50 0 GKAARN Fc1ccccc1Cn1ccc(NC(=S)Nc2cccc(Cl)c2Cl)n1 ZINC000013329357 221265233 /nfs/dbraw/zinc/26/52/33/221265233.db2.gz IPBHOJHYFVOWJU-UHFFFAOYSA-N 0 0 395.290 5.186 50 0 GKAARN CCc1cc(Br)ccc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000013325773 221265395 /nfs/dbraw/zinc/26/53/95/221265395.db2.gz JBSIUMHAMUQTPS-UHFFFAOYSA-N 0 0 385.261 5.227 50 0 GKAARN Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000013325888 221265405 /nfs/dbraw/zinc/26/54/05/221265405.db2.gz KLLMBBHYMZMRCV-UHFFFAOYSA-N 0 0 399.947 5.749 50 0 GKAARN Cc1ccc(C)c(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccccc2)c1 ZINC000013284543 221265448 /nfs/dbraw/zinc/26/54/48/221265448.db2.gz SZLSXVLLULZEPG-UHFFFAOYSA-N 0 0 393.317 7.334 50 0 GKAARN CC[C@H](NC(=O)Nc1ccc(Br)cc1)c1ccc(C(C)C)cc1 ZINC000013321260 221265544 /nfs/dbraw/zinc/26/55/44/221265544.db2.gz ADMJETKQAICMSQ-SFHVURJKSA-N 0 0 375.310 5.845 50 0 GKAARN CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Br)cc1 ZINC000013320081 221265582 /nfs/dbraw/zinc/26/55/82/221265582.db2.gz PDVCBCJRRRPGBS-UHFFFAOYSA-N 0 0 388.334 5.328 50 0 GKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)Nc1cc(F)ccc1F ZINC000013346949 221265968 /nfs/dbraw/zinc/26/59/68/221265968.db2.gz PQAVAEJKJJZCSI-UHFFFAOYSA-N 0 0 395.434 6.194 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 ZINC000013346779 221266017 /nfs/dbraw/zinc/26/60/17/221266017.db2.gz MZFFHGZIHNQFOU-UHFFFAOYSA-N 0 0 393.899 6.569 50 0 GKAARN Fc1cccc(-c2nnc([C@H](Nc3ccccc3F)c3ccc(Cl)cc3)o2)c1 ZINC000013364451 221266626 /nfs/dbraw/zinc/26/66/26/221266626.db2.gz PQEBKQMCLGAGRM-LJQANCHMSA-N 0 0 397.812 5.870 50 0 GKAARN CCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013368922 221266651 /nfs/dbraw/zinc/26/66/51/221266651.db2.gz RNLCIAOGHZOZMJ-UHFFFAOYSA-N 0 0 389.886 5.558 50 0 GKAARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)cc1F ZINC000013364394 221266678 /nfs/dbraw/zinc/26/66/78/221266678.db2.gz KCYOZFRVBQQDQG-FQEVSTJZSA-N 0 0 377.394 5.525 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)[C@@H]1C ZINC000013369030 221267171 /nfs/dbraw/zinc/26/71/71/221267171.db2.gz XPYKCXOZACIRKW-QINHECLXSA-N 0 0 395.934 5.298 50 0 GKAARN Cc1cnc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)s1 ZINC000013011112 221258178 /nfs/dbraw/zinc/25/81/78/221258178.db2.gz KOFUNRWRDRCWHS-UHFFFAOYSA-N 0 0 379.416 5.165 50 0 GKAARN COc1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000013012184 221258299 /nfs/dbraw/zinc/25/82/99/221258299.db2.gz OBYMDMFYYZSMBW-OAHLLOKOSA-N 0 0 398.553 5.388 50 0 GKAARN Cc1nc(NC(=O)c2sc3ccccc3c2Cl)ccc1Br ZINC000013281372 221264149 /nfs/dbraw/zinc/26/41/49/221264149.db2.gz VQVWCDKDKBXAOB-UHFFFAOYSA-N 0 0 381.682 5.273 50 0 GKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncccc1OCc1ccccc1 ZINC000013234698 221264255 /nfs/dbraw/zinc/26/42/55/221264255.db2.gz ZGRJWEGBJGKHAP-UHFFFAOYSA-N 0 0 387.361 5.323 50 0 GKAARN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)cc1 ZINC000013364351 221267109 /nfs/dbraw/zinc/26/71/09/221267109.db2.gz DLGSUDQPAALTNX-LJQANCHMSA-N 0 0 379.822 5.731 50 0 GKAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc(Br)s1 ZINC000013303889 221264631 /nfs/dbraw/zinc/26/46/31/221264631.db2.gz RBBMASVOVKCGBW-UHFFFAOYSA-N 0 0 389.299 5.526 50 0 GKAARN Fc1ccccc1Cn1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000013330441 221264660 /nfs/dbraw/zinc/26/46/60/221264660.db2.gz LRVVXTUITWFVEB-UHFFFAOYSA-N 0 0 395.290 5.186 50 0 GKAARN O=C(NCc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320444 221264736 /nfs/dbraw/zinc/26/47/36/221264736.db2.gz VCYCVSXGEPTRRU-UHFFFAOYSA-N 0 0 397.611 5.987 50 0 GKAARN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000013284642 221264853 /nfs/dbraw/zinc/26/48/53/221264853.db2.gz ACOYROSALACEJG-UHFFFAOYSA-N 0 0 395.289 6.726 50 0 GKAARN Brc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc32)cc1 ZINC000013303144 221264867 /nfs/dbraw/zinc/26/48/67/221264867.db2.gz UKRYLKWHNBRNCB-UHFFFAOYSA-N 0 0 388.268 5.708 50 0 GKAARN CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000013583220 221275617 /nfs/dbraw/zinc/27/56/17/221275617.db2.gz TVMLBGPLRVPPFP-BVAGGSTKSA-N 0 0 398.506 5.669 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2C)c1 ZINC000013618835 221277465 /nfs/dbraw/zinc/27/74/65/221277465.db2.gz WTPAVDDZDPLSJJ-UHFFFAOYSA-N 0 0 396.490 5.300 50 0 GKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)/C=C\c1ccccc1 ZINC000013634864 221278716 /nfs/dbraw/zinc/27/87/16/221278716.db2.gz HWWAMBQGLOAJRM-WQLSENKSSA-N 0 0 388.854 6.109 50 0 GKAARN O=C(Cc1ccc(Nc2[nH]c(=S)nc3ccccc32)cc1)NC1CCCCC1 ZINC000013496862 221270124 /nfs/dbraw/zinc/27/01/24/221270124.db2.gz FIJXITWWUGUIDN-UHFFFAOYSA-N 0 0 392.528 5.027 50 0 GKAARN O[C@@H](c1nc2ccccc2n1CCCOc1ccccc1Cl)c1ccccc1 ZINC000013541159 221271595 /nfs/dbraw/zinc/27/15/95/221271595.db2.gz MDUMFVDYEIZWGJ-JOCHJYFZSA-N 0 0 392.886 5.241 50 0 GKAARN C[C@@H](CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1 ZINC000013544716 221272011 /nfs/dbraw/zinc/27/20/11/221272011.db2.gz VAYYUHAFLFNFIU-NSHDSACASA-N 0 0 386.920 5.333 50 0 GKAARN CC(C)(C)c1ccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000013552980 221272949 /nfs/dbraw/zinc/27/29/49/221272949.db2.gz CIJOBWXGJZYVMX-UHFFFAOYSA-N 0 0 395.572 5.658 50 0 GKAARN CCCn1c(-c2ccc(F)cc2)cn2c1nc(-c1ccccc1)c2-c1ccccc1 ZINC000013770198 221288008 /nfs/dbraw/zinc/28/80/08/221288008.db2.gz MCVOYLQCKAPEHI-UHFFFAOYSA-N 0 0 395.481 6.686 50 0 GKAARN CCCC1CCC(OC(=O)c2ccc([C@@H]3CC[C@@H](CCC)[C@@H](C)C3)cc2)CC1 ZINC000013763574 221288026 /nfs/dbraw/zinc/28/80/26/221288026.db2.gz MSVALESXTAJUPW-FCVWVUDESA-N 0 0 384.604 7.522 50 0 GKAARN Clc1ccc(-c2nn3c(nnc3-c3ccc4ccccc4n3)s2)cc1Cl ZINC000013684239 221280621 /nfs/dbraw/zinc/28/06/21/221280621.db2.gz UFHWRSLRMWMAEP-UHFFFAOYSA-N 0 0 398.278 5.375 50 0 GKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nonc1-c1ccc(C(C)C)cc1 ZINC000013685609 221280837 /nfs/dbraw/zinc/28/08/37/221280837.db2.gz ACKIEOAZGBCCAI-UHFFFAOYSA-N 0 0 379.391 5.306 50 0 GKAARN Clc1ccc(SCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 ZINC000013692174 221282363 /nfs/dbraw/zinc/28/23/63/221282363.db2.gz QUJZDQQJVQJQPY-UHFFFAOYSA-N 0 0 397.916 5.280 50 0 GKAARN COc1ccc2oc(-c3cccs3)c/c(=N\c3ccc4c(c3)OCCO4)c2c1 ZINC000013719454 221284361 /nfs/dbraw/zinc/28/43/61/221284361.db2.gz SKQDVAUULMBRTN-HAVVHWLPSA-N 0 0 391.448 5.174 50 0 GKAARN COc1cccc(-c2nnc3sc([C@@H](C)c4ccc(CC(C)C)cc4)nn32)c1 ZINC000013727224 221285597 /nfs/dbraw/zinc/28/55/97/221285597.db2.gz TYJLJUMHUMSCJQ-HNNXBMFYSA-N 0 0 392.528 5.212 50 0 GKAARN Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)c1 ZINC000013750993 221286383 /nfs/dbraw/zinc/28/63/83/221286383.db2.gz FOZVIAVWJOHVBW-UHFFFAOYSA-N 0 0 388.511 5.120 50 0 GKAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccs2)c(C)c1 ZINC000013751598 221287109 /nfs/dbraw/zinc/28/71/09/221287109.db2.gz BYPRIINAJADHOO-UHFFFAOYSA-N 0 0 388.492 5.053 50 0 GKAARN Cc1c(Cl)c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000013984955 221294190 /nfs/dbraw/zinc/29/41/90/221294190.db2.gz BJFDZEMFTFNHBN-HXUWFJFHSA-N 0 0 394.902 5.305 50 0 GKAARN CCc1ccccc1-n1nc(-c2ccc(C)c(C)c2)c(C)c1-c1ccc(C)c(C)c1 ZINC000013960814 221294889 /nfs/dbraw/zinc/29/48/89/221294889.db2.gz RDBSURLAVHJHTO-UHFFFAOYSA-N 0 0 394.562 7.311 50 0 GKAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nc2ccccc2s1 ZINC000014118092 221300085 /nfs/dbraw/zinc/30/00/85/221300085.db2.gz HXYXXDSESLAKOK-GFCCVEGCSA-N 0 0 398.582 5.728 50 0 GKAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)ccc2c1 ZINC000014161286 221300868 /nfs/dbraw/zinc/30/08/68/221300868.db2.gz RRCVSQPWRPNBPP-OAHLLOKOSA-N 0 0 387.435 5.005 50 0 GKAARN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(Cl)c1 ZINC000014139100 221300981 /nfs/dbraw/zinc/30/09/81/221300981.db2.gz QLZCWFKEDMHQOD-UHFFFAOYSA-N 0 0 376.790 5.153 50 0 GKAARN CC(=O)c1cccc(NC(=O)[C@H](N[C@H](C)c2ccc(F)cc2)c2ccccc2)c1 ZINC000014142220 221301313 /nfs/dbraw/zinc/30/13/13/221301313.db2.gz AYSBFRKBMPFVKP-WAIKUNEKSA-N 0 0 390.458 5.059 50 0 GKAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000014160405 221301458 /nfs/dbraw/zinc/30/14/58/221301458.db2.gz NRWZKTMYLZYJHV-MRXNPFEDSA-N 0 0 387.357 5.219 50 0 GKAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1OC(F)F ZINC000014582871 221311904 /nfs/dbraw/zinc/31/19/04/221311904.db2.gz GTAKZEVLWFDLEI-UHFFFAOYSA-N 0 0 389.320 5.348 50 0 GKAARN Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000014567099 221311909 /nfs/dbraw/zinc/31/19/09/221311909.db2.gz PMHZBPZYANQFMD-UHFFFAOYSA-N 0 0 398.384 5.518 50 0 GKAARN Cc1nc(CSc2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)cs1 ZINC000014188057 221302581 /nfs/dbraw/zinc/30/25/81/221302581.db2.gz TUWHJFMOVCXNPI-UHFFFAOYSA-N 0 0 394.565 5.205 50 0 GKAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)C(C)(C)C)o2)cc1 ZINC000014198655 221303196 /nfs/dbraw/zinc/30/31/96/221303196.db2.gz VXFGXOQBKVEOJA-UHFFFAOYSA-N 0 0 377.440 5.089 50 0 GKAARN COc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2Cl)cc1OC ZINC000014188826 221303890 /nfs/dbraw/zinc/30/38/90/221303890.db2.gz AXCXCSDMWZVXNU-UHFFFAOYSA-N 0 0 397.858 5.331 50 0 GKAARN Cc1ccccc1/C=C/C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000014202424 221304753 /nfs/dbraw/zinc/30/47/53/221304753.db2.gz ILILKNMOORDBHI-NIQRWSHPSA-N 0 0 398.506 5.480 50 0 GKAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccccc1 ZINC000014242353 221306513 /nfs/dbraw/zinc/30/65/13/221306513.db2.gz HKVSOCABOAKMIC-QFIPXVFZSA-N 0 0 398.462 5.306 50 0 GKAARN Cc1cc(C)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(C)c1 ZINC000014426604 221309771 /nfs/dbraw/zinc/30/97/71/221309771.db2.gz LCYSJSSCZSYWLR-UHFFFAOYSA-N 0 0 378.086 5.873 50 0 GKAARN COc1ccc(CCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1OC ZINC000014393139 221309902 /nfs/dbraw/zinc/30/99/02/221309902.db2.gz XARCBXRZAOMYOM-UHFFFAOYSA-N 0 0 396.512 5.015 50 0 GKAARN Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H](C)c2ccccc2C)cs1 ZINC000014417355 221309950 /nfs/dbraw/zinc/30/99/50/221309950.db2.gz LONPSZSMYFFDDY-UJGDBWEASA-N 0 0 392.524 5.230 50 0 GKAARN COc1ccccc1[C@@H]1CCCN1Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000014973527 221322378 /nfs/dbraw/zinc/32/23/78/221322378.db2.gz BOVBNUFWALFQKT-FQEVSTJZSA-N 0 0 384.426 5.274 50 0 GKAARN Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccccc2)c1 ZINC000014609629 221313398 /nfs/dbraw/zinc/31/33/98/221313398.db2.gz MUSMSUZAPZPGGJ-UHFFFAOYSA-N 0 0 382.467 5.112 50 0 GKAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000014604282 221313573 /nfs/dbraw/zinc/31/35/73/221313573.db2.gz GVVASUOXOZQRED-UHFFFAOYSA-N 0 0 376.300 5.043 50 0 GKAARN Cc1csc(N(C(=O)/C=C/c2ccccc2OC(F)F)c2ccccc2)n1 ZINC000014772994 221317489 /nfs/dbraw/zinc/31/74/89/221317489.db2.gz OISYXLVKZBIZAC-VAWYXSNFSA-N 0 0 386.423 5.431 50 0 GKAARN Cc1sc(NC(=O)c2ccc(Br)o2)nc1-c1ccc(F)c(F)c1 ZINC000014910927 221319215 /nfs/dbraw/zinc/31/92/15/221319215.db2.gz ADJHGHCJTNPXIZ-UHFFFAOYSA-N 0 0 399.216 5.005 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)C1 ZINC000015106904 221332376 /nfs/dbraw/zinc/33/23/76/221332376.db2.gz UBYQGQKUABVZBL-UKRRQHHQSA-N 0 0 383.513 5.102 50 0 GKAARN COC(=O)/C(=C(/F)Sc1c2ccccc2[nH]c1-c1ccccc1)C(F)(F)F ZINC000015240539 221333812 /nfs/dbraw/zinc/33/38/12/221333812.db2.gz BAUYQQFSOGHOLU-SAPNQHFASA-N 0 0 395.377 5.843 50 0 GKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015226550 221334121 /nfs/dbraw/zinc/33/41/21/221334121.db2.gz NTNLJUOVGYAGCB-UHFFFAOYSA-N 0 0 382.691 6.022 50 0 GKAARN CCN(CC)C(=O)c1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000015317794 221334907 /nfs/dbraw/zinc/33/49/07/221334907.db2.gz JEZXHAMSHFHKBW-UHFFFAOYSA-N 0 0 384.863 5.129 50 0 GKAARN Fc1ccc(-c2cnc(Cn3c(COc4ccccc4)nc4ccccc43)o2)cc1 ZINC000015551542 221337277 /nfs/dbraw/zinc/33/72/77/221337277.db2.gz MENDDWUHKZFGKO-UHFFFAOYSA-N 0 0 399.425 5.458 50 0 GKAARN COc1ccc(Br)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000015434915 221336581 /nfs/dbraw/zinc/33/65/81/221336581.db2.gz BWQKTQHTMHSSLY-UHFFFAOYSA-N 0 0 375.049 5.017 50 0 GKAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015538863 221336832 /nfs/dbraw/zinc/33/68/32/221336832.db2.gz JRWXYPGUGLPKPE-HNNXBMFYSA-N 0 0 376.403 5.292 50 0 GKAARN O=C(CSc1cccc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000015019006 221326943 /nfs/dbraw/zinc/32/69/43/221326943.db2.gz GKIBMEDLXBQDNV-UHFFFAOYSA-N 0 0 377.387 5.469 50 0 GKAARN Oc1cccc2c1Cc1c-2nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000015565812 221337804 /nfs/dbraw/zinc/33/78/04/221337804.db2.gz PZHNFTDAYNLAKT-UHFFFAOYSA-N 0 0 378.258 6.485 50 0 GKAARN O=C(CCc1ccccc1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000015671157 221338396 /nfs/dbraw/zinc/33/83/96/221338396.db2.gz MVAZAIUICBMSJA-UHFFFAOYSA-N 0 0 379.463 5.382 50 0 GKAARN CC[C@@H](Nc1ncccc1-c1nc(-c2ccc(OC)cc2)no1)c1ccccc1 ZINC000015669988 221338611 /nfs/dbraw/zinc/33/86/11/221338611.db2.gz FHXXXNBWAFKCLS-HXUWFJFHSA-N 0 0 386.455 5.370 50 0 GKAARN CCc1ccccc1NC(=O)C[C@@H](c1ccc(C)cc1)N1Cc2ccccc2C1=O ZINC000015721467 221340957 /nfs/dbraw/zinc/34/09/57/221340957.db2.gz ZGEUZEGJEJUFSN-DEOSSOPVSA-N 0 0 398.506 5.283 50 0 GKAARN Cc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1 ZINC000015821206 221345656 /nfs/dbraw/zinc/34/56/56/221345656.db2.gz ISPJZEPQBYGHFA-UHFFFAOYSA-N 0 0 387.870 5.753 50 0 GKAARN CN1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Sc2ccccc2C1=O ZINC000015826040 221347057 /nfs/dbraw/zinc/34/70/57/221347057.db2.gz CJZKYWWMFNFEAM-UHFFFAOYSA-N 0 0 394.883 5.334 50 0 GKAARN Clc1cccc(-n2ncc3c2ncnc3Nc2cccc3c2CCCC3)c1 ZINC000015827448 221347091 /nfs/dbraw/zinc/34/70/91/221347091.db2.gz GYJPUGSFGFQCQM-UHFFFAOYSA-N 0 0 375.863 5.091 50 0 GKAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccccc4Cl)ccc3C(=O)O2)cc1 ZINC000015838257 221347145 /nfs/dbraw/zinc/34/71/45/221347145.db2.gz INWGMJFPPMJVHX-OAQYLSRUSA-N 0 0 391.854 5.355 50 0 GKAARN CCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)cc2)n1 ZINC000015838181 221347186 /nfs/dbraw/zinc/34/71/86/221347186.db2.gz ORISCNLQSNSIRU-UHFFFAOYSA-N 0 0 389.499 5.646 50 0 GKAARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2cccnc12 ZINC000015841112 221347927 /nfs/dbraw/zinc/34/79/27/221347927.db2.gz GONSCWLNRCYTJP-GOSISDBHSA-N 0 0 392.499 5.437 50 0 GKAARN CCCOc1ccc(NC(=O)c2ccccc2Br)c2cccnc12 ZINC000015840907 221347934 /nfs/dbraw/zinc/34/79/34/221347934.db2.gz OEPWNFADLKQQDZ-UHFFFAOYSA-N 0 0 385.261 5.038 50 0 GKAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000015842246 221348013 /nfs/dbraw/zinc/34/80/13/221348013.db2.gz PDUXOTULJYTXEX-UHFFFAOYSA-N 0 0 387.874 5.314 50 0 GKAARN COc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1Cl ZINC000015840172 221348197 /nfs/dbraw/zinc/34/81/97/221348197.db2.gz CXKSHEKOMSXUIF-UHFFFAOYSA-N 0 0 378.906 5.023 50 0 GKAARN Cc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)cc1 ZINC000015858689 221348642 /nfs/dbraw/zinc/34/86/42/221348642.db2.gz ZIRAMTRQJSISOD-UHFFFAOYSA-N 0 0 379.463 5.095 50 0 GKAARN Cc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N(C)C)o1 ZINC000015860352 221348795 /nfs/dbraw/zinc/34/87/95/221348795.db2.gz VSDSCZMICRMFEN-CYBMUJFWSA-N 0 0 397.327 5.142 50 0 GKAARN Cn1c2cn(-c3cccc(Cl)c3)c(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000015858705 221349030 /nfs/dbraw/zinc/34/90/30/221349030.db2.gz LJZAYWBTTWCXJU-UHFFFAOYSA-N 0 0 399.881 5.440 50 0 GKAARN Cc1ccc(-c2nsc(NC(=O)c3oc4cc(C)cc(C)c4c3C)n2)s1 ZINC000015860003 221349088 /nfs/dbraw/zinc/34/90/88/221349088.db2.gz LNBQTHUMQLACGR-UHFFFAOYSA-N 0 0 383.498 5.499 50 0 GKAARN Cc1c(=O)c2cccc(C(=O)N3CCCCCCC3)c2oc1-c1ccccc1 ZINC000015992759 221353467 /nfs/dbraw/zinc/35/34/67/221353467.db2.gz LTWRFGGFGPXVJF-UHFFFAOYSA-N 0 0 375.468 5.175 50 0 GKAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Nc1ccc(F)cc1F ZINC000015864439 221350056 /nfs/dbraw/zinc/35/00/56/221350056.db2.gz CJQABWGBNTXQHU-UHFFFAOYSA-N 0 0 395.365 5.426 50 0 GKAARN COc1ccc(Nc2ccc(NC(=S)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000016213967 221358564 /nfs/dbraw/zinc/35/85/64/221358564.db2.gz RDWGJIASHIBTBP-UHFFFAOYSA-N 0 0 377.513 5.865 50 0 GKAARN CCc1ccc(OCC(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000016162027 221358595 /nfs/dbraw/zinc/35/85/95/221358595.db2.gz ONPWWKXCXBLQQD-UHFFFAOYSA-N 0 0 386.451 5.383 50 0 GKAARN CCc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 ZINC000016161544 221359137 /nfs/dbraw/zinc/35/91/37/221359137.db2.gz WUMQFLZOZIIWLI-UHFFFAOYSA-N 0 0 390.870 6.271 50 0 GKAARN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)oc2c1 ZINC000016348696 221360138 /nfs/dbraw/zinc/36/01/38/221360138.db2.gz KWAFEBZBZVFJGE-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2c1 ZINC000016348683 221360271 /nfs/dbraw/zinc/36/02/71/221360271.db2.gz SKQWBWVDUKXRBW-UHFFFAOYSA-N 0 0 392.842 5.474 50 0 GKAARN COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000016362374 221360393 /nfs/dbraw/zinc/36/03/93/221360393.db2.gz YTWCAODSQPCAMO-UHFFFAOYSA-N 0 0 388.492 5.841 50 0 GKAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)C1(C)C ZINC000016349709 221361060 /nfs/dbraw/zinc/36/10/60/221361060.db2.gz UVVRXLMEGLGJFO-TZIWHRDSSA-N 0 0 376.500 5.424 50 0 GKAARN CCn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)c1cccc(C)c1 ZINC000016425320 221361892 /nfs/dbraw/zinc/36/18/92/221361892.db2.gz HKNQGGIKABHEDJ-QFIPXVFZSA-N 0 0 383.495 5.078 50 0 GKAARN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc2ccccc21 ZINC000016526266 221364860 /nfs/dbraw/zinc/36/48/60/221364860.db2.gz FKKDXZHVGPDFED-UHFFFAOYSA-N 0 0 397.257 6.764 50 0 GKAARN O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1Sc1ccccc1 ZINC000016591558 221366979 /nfs/dbraw/zinc/36/69/79/221366979.db2.gz MYFVVCPJXRDMTE-HNNXBMFYSA-N 0 0 394.462 5.051 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 ZINC000017085918 221379957 /nfs/dbraw/zinc/37/99/57/221379957.db2.gz KWAQDHZYCWTACC-DYESRHJHSA-N 0 0 390.552 5.906 50 0 GKAARN COc1ccccc1NC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000017124122 221380019 /nfs/dbraw/zinc/38/00/19/221380019.db2.gz FWKOVWMCDXWXGQ-UHFFFAOYSA-N 0 0 395.271 5.165 50 0 GKAARN CC(C)(C)c1cc(-c2nn3c(nnc3-c3ccncc3)s2)cc(C(C)(C)C)c1 ZINC000017172970 221381130 /nfs/dbraw/zinc/38/11/30/221381130.db2.gz BJMRRGYDDIKEBO-UHFFFAOYSA-N 0 0 391.544 5.510 50 0 GKAARN COc1ccc(Cl)cc1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000017196681 221381234 /nfs/dbraw/zinc/38/12/34/221381234.db2.gz IGXXCUFDEZSSNX-UHFFFAOYSA-N 0 0 377.831 5.408 50 0 GKAARN CC[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(OC)cc1 ZINC000017268904 221381730 /nfs/dbraw/zinc/38/17/30/221381730.db2.gz FQXQJXQUPLLOAS-AWEZNQCLSA-N 0 0 378.501 5.315 50 0 GKAARN Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccc(F)cc3F)c2)cc1 ZINC000017315992 221383113 /nfs/dbraw/zinc/38/31/13/221383113.db2.gz WMRNUMDFZNQVQZ-INIZCTEOSA-N 0 0 380.438 5.376 50 0 GKAARN CCOc1cccc(-c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c1 ZINC000017838304 221384450 /nfs/dbraw/zinc/38/44/50/221384450.db2.gz WXSMPQVNAJHCGM-HDICACEKSA-N 0 0 388.511 5.419 50 0 GKAARN CSc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000016758716 221371328 /nfs/dbraw/zinc/37/13/28/221371328.db2.gz BSUKNCSUDQLELX-NQIIRXRSSA-N 0 0 396.899 5.897 50 0 GKAARN Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000016903709 221373643 /nfs/dbraw/zinc/37/36/43/221373643.db2.gz HBTVCOHEOSCTDA-FQEVSTJZSA-N 0 0 378.516 5.141 50 0 GKAARN CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)OC(C)=O ZINC000016891618 221374073 /nfs/dbraw/zinc/37/40/73/221374073.db2.gz BEWFIPLBFJGWSR-AONZOJHOSA-N 0 0 396.612 6.909 50 0 GKAARN CCOc1cc2ccccc2cc1C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000016962871 221374404 /nfs/dbraw/zinc/37/44/04/221374404.db2.gz MHONWTCIGNLHNE-UHFFFAOYSA-N 0 0 385.847 5.161 50 0 GKAARN Cc1cc(C)cc(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)c1 ZINC000017010846 221375412 /nfs/dbraw/zinc/37/54/12/221375412.db2.gz ZSZUJZSPLRUWBN-UHFFFAOYSA-N 0 0 386.503 5.244 50 0 GKAARN Cc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042512 221376631 /nfs/dbraw/zinc/37/66/31/221376631.db2.gz ZFPMLMSISWYNMY-UHFFFAOYSA-N 0 0 396.454 5.073 50 0 GKAARN Cc1ccc(NC(=O)Nc2nnc(CSCc3cccc(C)c3)s2)cc1 ZINC000017044531 221376675 /nfs/dbraw/zinc/37/66/75/221376675.db2.gz YKXCJKDMFLDNIZ-UHFFFAOYSA-N 0 0 384.530 5.232 50 0 GKAARN COC(=O)c1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000017043601 221376760 /nfs/dbraw/zinc/37/67/60/221376760.db2.gz ZGPXTVFSQDWJRP-UHFFFAOYSA-N 0 0 389.842 5.480 50 0 GKAARN CC(C)(C)C1CCC(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 ZINC000017076857 221376959 /nfs/dbraw/zinc/37/69/59/221376959.db2.gz QXSLGKVADQFPMA-ADKAHSJRSA-N 0 0 375.622 6.234 50 0 GKAARN O=C1C[C@@H](c2ccccc2)Cc2c1c(Nc1ccccc1)nn2-c1ccccc1 ZINC000017077586 221377214 /nfs/dbraw/zinc/37/72/14/221377214.db2.gz PLPDFIKKQZUTML-IBGZPJMESA-N 0 0 379.463 5.529 50 0 GKAARN COc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(OC)cc3)c2C)cc1 ZINC000017079287 221377363 /nfs/dbraw/zinc/37/73/63/221377363.db2.gz HNYSAVWQPMWMHA-UHFFFAOYSA-N 0 0 388.442 5.671 50 0 GKAARN CCCc1sc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1Br ZINC000017077688 221377761 /nfs/dbraw/zinc/37/77/61/221377761.db2.gz UAOAAXIHEJIVBR-CYBMUJFWSA-N 0 0 380.351 5.571 50 0 GKAARN S=C1N=NC([C@H](Sc2ccccc2)c2ccccc2)N1Cc1ccco1 ZINC000017077623 221377912 /nfs/dbraw/zinc/37/79/12/221377912.db2.gz UPUHYWNIWZSWQH-GOSISDBHSA-N 0 0 379.510 5.090 50 0 GKAARN Cc1cccc(-c2nn(-c3ccc(C)c(C)c3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017079023 221377933 /nfs/dbraw/zinc/37/79/33/221377933.db2.gz HKJSWOKEBIZGGE-UHFFFAOYSA-N 0 0 386.926 7.093 50 0 GKAARN Cc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000017079828 221378313 /nfs/dbraw/zinc/37/83/13/221378313.db2.gz RSXINPHMTYVVGF-UHFFFAOYSA-N 0 0 390.889 6.675 50 0 GKAARN CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1cccnc1 ZINC000017080441 221378321 /nfs/dbraw/zinc/37/83/21/221378321.db2.gz GANFJVZUSUSIRA-UHFFFAOYSA-N 0 0 393.541 5.084 50 0 GKAARN CCCCC[C@H](C)NC(=S)Nc1sc(-c2ccccc2)cc1C(=O)OC ZINC000017079789 221378434 /nfs/dbraw/zinc/37/84/34/221378434.db2.gz HMYBLVPIEYHWDC-AWEZNQCLSA-N 0 0 390.574 5.457 50 0 GKAARN Cc1c(-c2ccc(C)c(C)c2)nn(-c2ccc(C)c(C)c2)c1-c1ccc(C)c(C)c1 ZINC000017080703 221378610 /nfs/dbraw/zinc/37/86/10/221378610.db2.gz NWEXFEPNPQWUPK-UHFFFAOYSA-N 0 0 394.562 7.365 50 0 GKAARN Cc1[nH]c2ccc(C(=O)O[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)cc2c1C ZINC000017725519 221385027 /nfs/dbraw/zinc/38/50/27/221385027.db2.gz UMVWHPFHACSDSV-HNNXBMFYSA-N 0 0 375.428 5.061 50 0 GKAARN COc1ccc([C@H](CNC(=O)c2cccc(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000018074581 221387283 /nfs/dbraw/zinc/38/72/83/221387283.db2.gz IWWHHAGOKRAMBY-QFIPXVFZSA-N 0 0 384.479 5.047 50 0 GKAARN CCCc1sc(Nc2ccccc2F)nc1-c1ccc(Cl)cc1Cl ZINC000018192514 221388336 /nfs/dbraw/zinc/38/83/36/221388336.db2.gz SJALQHNALCDJQI-UHFFFAOYSA-N 0 0 381.303 6.952 50 0 GKAARN O=C1C[C@H](c2ccco2)Cc2nc(Nc3ccc(Oc4ccccc4)cc3)ncc21 ZINC000018182696 221389161 /nfs/dbraw/zinc/38/91/61/221389161.db2.gz QEEIRJPEZQFCQY-MRXNPFEDSA-N 0 0 397.434 5.518 50 0 GKAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000018241609 221391739 /nfs/dbraw/zinc/39/17/39/221391739.db2.gz YBEAERJOJXAIOT-HZPDHXFCSA-N 0 0 390.266 5.465 50 0 GKAARN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5c(C)cc(C)cc5C)(C4)C2)C3)cc1 ZINC000018285093 221392821 /nfs/dbraw/zinc/39/28/21/221392821.db2.gz DUCWTXGOYNEJES-PRSBGKBPSA-N 0 0 387.567 6.397 50 0 GKAARN C[C@@H](CNc1ccc(OC[C@@H]2CCCO2)cc1)Oc1ccc(Cl)cc1Cl ZINC000019738222 221448158 /nfs/dbraw/zinc/44/81/58/221448158.db2.gz CTXPUPGFWDXUNS-KSSFIOAISA-N 0 0 396.314 5.431 50 0 GKAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccco1 ZINC000019894320 221461219 /nfs/dbraw/zinc/46/12/19/221461219.db2.gz HQWAVRLRXCUAIS-UHFFFAOYSA-N 0 0 399.277 5.675 50 0 GKAARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1C ZINC000020178227 221477278 /nfs/dbraw/zinc/47/72/78/221477278.db2.gz PSGZHLSOLMEFRW-OAQYLSRUSA-N 0 0 389.886 6.208 50 0 GKAARN CCn1ncc(-c2cc(C(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)c1C ZINC000020602819 221503295 /nfs/dbraw/zinc/50/32/95/221503295.db2.gz SONQFHJLMNUDGM-UHFFFAOYSA-N 0 0 395.457 5.226 50 0 GKAARN COc1ccc(-n2nc(C)c3c2nc(-c2ccc(C)c(C)c2)cc3C(F)F)cc1 ZINC000020602841 221503788 /nfs/dbraw/zinc/50/37/88/221503788.db2.gz MBTGNVYVIOXVNM-UHFFFAOYSA-N 0 0 393.437 5.959 50 0 GKAARN CC(=O)Nc1ccc(NC(=O)CCn2c(-c3ccccc3)cc3ccccc32)cc1 ZINC000020729772 221509380 /nfs/dbraw/zinc/50/93/80/221509380.db2.gz VPNCFQBQWJBRJM-UHFFFAOYSA-N 0 0 397.478 5.296 50 0 GKAARN CC(C)[C@H](NC(=O)Nc1cccc(Cl)c1)c1nc2cccnc2n1C(C)C ZINC000021020416 221524945 /nfs/dbraw/zinc/52/49/45/221524945.db2.gz PHWYYLYSDSMEIY-KRWDZBQOSA-N 0 0 385.899 5.184 50 0 GKAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1cccc(C)c1C ZINC000021103919 221525736 /nfs/dbraw/zinc/52/57/36/221525736.db2.gz USMTWDDUPZEOIK-UHFFFAOYSA-N 0 0 385.261 5.282 50 0 GKAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(C)ccc1C)SCC(=O)N2 ZINC000020891876 221515667 /nfs/dbraw/zinc/51/56/67/221515667.db2.gz CSDIMMKSDDEBNJ-FQEVSTJZSA-N 0 0 397.931 5.226 50 0 GKAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078410 132425842 /nfs/dbraw/zinc/42/58/42/132425842.db2.gz KEWNWJYDJLKDCW-UHFFFAOYSA-N 0 0 398.506 5.403 50 0 GKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4C)ccc32)cc1 ZINC000046078532 132426057 /nfs/dbraw/zinc/42/60/57/132426057.db2.gz SEBBYQPWNFCRQZ-UHFFFAOYSA-N 0 0 384.479 5.149 50 0 GKAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4cc(C)cc(C)c4)ccc32)cc1 ZINC000046078547 132426061 /nfs/dbraw/zinc/42/60/61/132426061.db2.gz YYXDYWUUEUOJHK-UHFFFAOYSA-N 0 0 398.506 5.457 50 0 GKAARN CC(C)c1ccc(C2(C(=O)NC3CCN(c4ccccc4)CC3)CCC2)cc1 ZINC000058264115 136155104 /nfs/dbraw/zinc/15/51/04/136155104.db2.gz NCUBRSAZBZMLDP-UHFFFAOYSA-N 0 0 376.544 5.017 50 0 GKAARN Cc1ccc2nc(C(=O)Nc3ccc(F)cc3F)cc(N3CCCCC3)c2c1 ZINC000064568324 136156861 /nfs/dbraw/zinc/15/68/61/136156861.db2.gz ZOURHBPILBOKTR-UHFFFAOYSA-N 0 0 381.426 5.064 50 0 GKAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NC1CCCCCCC1 ZINC000064663354 136157295 /nfs/dbraw/zinc/15/72/95/136157295.db2.gz 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CCN(CC)c1ccc(NC(=O)Nc2cccc(Br)c2)c(C)c1 ZINC000057405864 222032613 /nfs/dbraw/zinc/03/26/13/222032613.db2.gz FYBFRQGCAXISHX-UHFFFAOYSA-N 0 0 376.298 5.248 50 0 GKAARN O=C(CSc1ncc(-c2cccc(Cl)c2)o1)NCc1ccccc1Cl ZINC000045943322 221965567 /nfs/dbraw/zinc/96/55/67/221965567.db2.gz HDADBCGVAYBTEU-UHFFFAOYSA-N 0 0 393.295 5.057 50 0 GKAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045928047 221965899 /nfs/dbraw/zinc/96/58/99/221965899.db2.gz RUUAZFZBQVYDNF-HSZRJFAPSA-N 0 0 385.463 5.056 50 0 GKAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1c(C)cc(C)cc1C ZINC000045967450 221967692 /nfs/dbraw/zinc/96/76/92/221967692.db2.gz BUBHOVFNTRZRKI-UHFFFAOYSA-N 0 0 377.488 5.213 50 0 GKAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076804 221970282 /nfs/dbraw/zinc/97/02/82/221970282.db2.gz QYHHYEWREZHHHV-GOSISDBHSA-N 0 0 381.472 5.817 50 0 GKAARN Clc1ccc(-c2cc3c(SCc4cccc(Cl)c4)nccn3n2)cc1 ZINC000057510791 222035240 /nfs/dbraw/zinc/03/52/40/222035240.db2.gz 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/nfs/dbraw/zinc/10/18/77/222101877.db2.gz IYCAURQGHPHNGU-UHFFFAOYSA-N 0 0 394.906 5.351 50 0 GKAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(F)c(Cl)c2)n1 ZINC000065114387 222102685 /nfs/dbraw/zinc/10/26/85/222102685.db2.gz ODFRSULJCFFEID-UHFFFAOYSA-N 0 0 398.869 5.100 50 0 GKAARN Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)c(C)c1 ZINC000065154000 222104969 /nfs/dbraw/zinc/10/49/69/222104969.db2.gz NQPMNQCHINFYHZ-UHFFFAOYSA-N 0 0 398.441 5.214 50 0 GKAARN CCCn1c(-c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)nc2cccnc21 ZINC000065172813 222106000 /nfs/dbraw/zinc/10/60/00/222106000.db2.gz BRYZRPNJZYLYJE-UHFFFAOYSA-N 0 0 392.409 5.039 50 0 GKAARN COc1ccc(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)cc1Cl ZINC000065184804 222106951 /nfs/dbraw/zinc/10/69/51/222106951.db2.gz NEGPHLCNEPRCDK-UHFFFAOYSA-N 0 0 387.892 5.418 50 0 GKAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(F)c(Cl)c3)s2)c1 ZINC000065184838 222107023 /nfs/dbraw/zinc/10/70/23/222107023.db2.gz ZZULAAZLNYHCLW-UHFFFAOYSA-N 0 0 391.855 5.249 50 0 GKAARN CCSc1ccc(-c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)nn1 ZINC000065185885 222109058 /nfs/dbraw/zinc/10/90/58/222109058.db2.gz SFRIZOHMEOBICJ-UHFFFAOYSA-N 0 0 399.903 5.170 50 0 GKAARN COc1ccc2nc(C(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)ccc2c1 ZINC000058157967 222040547 /nfs/dbraw/zinc/04/05/47/222040547.db2.gz RFTNIAVYWOTFEB-DEOSSOPVSA-N 0 0 382.463 5.071 50 0 GKAARN CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 ZINC000058133915 222040688 /nfs/dbraw/zinc/04/06/88/222040688.db2.gz CEKWFEOQRPTQLL-HNNXBMFYSA-N 0 0 391.334 5.234 50 0 GKAARN C[C@H](Nc1ccc(NC(=O)c2occc2-c2ccccc2)cc1)c1ccccc1 ZINC000058246387 222047555 /nfs/dbraw/zinc/04/75/55/222047555.db2.gz WOZBIHNFMJITMC-SFHVURJKSA-N 0 0 382.463 6.372 50 0 GKAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cc(F)c(Cl)nc1Cl ZINC000058330693 222049649 /nfs/dbraw/zinc/04/96/49/222049649.db2.gz LQKGSYUWHLDYPP-AWEZNQCLSA-N 0 0 399.249 5.248 50 0 GKAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Nc1ccc(SC)cc1 ZINC000058314058 222049879 /nfs/dbraw/zinc/04/98/79/222049879.db2.gz HKICRLLJSMUBIJ-IBGZPJMESA-N 0 0 380.517 5.147 50 0 GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000058377553 222050203 /nfs/dbraw/zinc/05/02/03/222050203.db2.gz ONKTYBAWUYCFTA-OAQYLSRUSA-N 0 0 393.531 5.568 50 0 GKAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000058379545 222050730 /nfs/dbraw/zinc/05/07/30/222050730.db2.gz WRKAIXVVXHBVEQ-NRFANRHFSA-N 0 0 393.512 5.400 50 0 GKAARN CCOc1ccc(OC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)cc1 ZINC000058419590 222052331 /nfs/dbraw/zinc/05/23/31/222052331.db2.gz VIRXAQKEEAKGGI-UHFFFAOYSA-N 0 0 392.411 5.026 50 0 GKAARN Cc1nc(C)c([C@H](C)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000058406817 222052577 /nfs/dbraw/zinc/05/25/77/222052577.db2.gz AGDPDLDMUCTILZ-QMMMGPOBSA-N 0 0 396.356 5.289 50 0 GKAARN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1c(=S)[nH]nc1-c1cccs1 ZINC000058420842 222052663 /nfs/dbraw/zinc/05/26/63/222052663.db2.gz ISXDRHNQJUGOTH-QMMMGPOBSA-N 0 0 399.328 5.176 50 0 GKAARN S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000059285961 222055688 /nfs/dbraw/zinc/05/56/88/222055688.db2.gz CKMRCDUOZIGQJY-OAQYLSRUSA-N 0 0 391.927 5.888 50 0 GKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1Oc1ccccc1 ZINC000060106229 222058459 /nfs/dbraw/zinc/05/84/59/222058459.db2.gz PMIBAMRMBFMOJI-UHFFFAOYSA-N 0 0 397.434 5.622 50 0 GKAARN CNc1nc2c(s1)[C@H](c1ccccc1OCc1cccc(F)c1)CC(=O)N2 ZINC000061721149 222062553 /nfs/dbraw/zinc/06/25/53/222062553.db2.gz SFQYJNGAAKLGGJ-HNNXBMFYSA-N 0 0 383.448 5.027 50 0 GKAARN Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](c1ccccc1)c1ccncc1 ZINC000062680804 222065995 /nfs/dbraw/zinc/06/59/95/222065995.db2.gz IFFKECJYDIHKMP-FQEVSTJZSA-N 0 0 386.476 5.460 50 0 GKAARN Fc1ccccc1[C@H](NCc1ccccc1Cl)c1nnc(-c2ccccc2)o1 ZINC000063648883 222067909 /nfs/dbraw/zinc/06/79/09/222067909.db2.gz NZDSNFWPRTUBTI-FQEVSTJZSA-N 0 0 393.849 5.408 50 0 GKAARN Cc1cc(C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c(C)n1CC(F)(F)F ZINC000063833344 222068133 /nfs/dbraw/zinc/06/81/33/222068133.db2.gz ZUQSVHSFUIMODK-IBGZPJMESA-N 0 0 378.438 5.261 50 0 GKAARN CC(C)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471613 222070284 /nfs/dbraw/zinc/07/02/84/222070284.db2.gz OCKXILJLLKSYAZ-UHFFFAOYSA-N 0 0 391.490 5.867 50 0 GKAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(C)cc5C)n3n2)CCCC4)cc1 ZINC000064449957 222070323 /nfs/dbraw/zinc/07/03/23/222070323.db2.gz ZECLLXQRPHRSNZ-UHFFFAOYSA-N 0 0 397.526 5.263 50 0 GKAARN CCc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471598 222071289 /nfs/dbraw/zinc/07/12/89/222071289.db2.gz DAFJDXIEKXXRKD-UHFFFAOYSA-N 0 0 377.463 5.306 50 0 GKAARN CCCC(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000064471522 222071470 /nfs/dbraw/zinc/07/14/70/222071470.db2.gz WVUQUJHWFLWEFF-UHFFFAOYSA-N 0 0 375.476 5.319 50 0 GKAARN COc1ccccc1NC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472539 222072078 /nfs/dbraw/zinc/07/20/78/222072078.db2.gz VWXZDUXJDGWNQX-UHFFFAOYSA-N 0 0 388.492 5.775 50 0 GKAARN Cc1cccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1C ZINC000064472642 222072231 /nfs/dbraw/zinc/07/22/31/222072231.db2.gz LLLBDTFOKWWFPA-UHFFFAOYSA-N 0 0 390.483 6.214 50 0 GKAARN CN(C)c1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 ZINC000064472438 222072689 /nfs/dbraw/zinc/07/26/89/222072689.db2.gz WGNBUSVDPFYUAM-UHFFFAOYSA-N 0 0 387.508 5.524 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(Cl)c3C)cc12 ZINC000064567924 222074849 /nfs/dbraw/zinc/07/48/49/222074849.db2.gz FBTHOJPDIGFHAG-UHFFFAOYSA-N 0 0 399.878 5.749 50 0 GKAARN Cc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc1 ZINC000064578573 222075113 /nfs/dbraw/zinc/07/51/13/222075113.db2.gz QIZPAZGBTXLKAD-UHFFFAOYSA-N 0 0 395.462 5.174 50 0 GKAARN Cc1ccc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3ccc(F)cc3F)c2c1 ZINC000064568471 222075165 /nfs/dbraw/zinc/07/51/65/222075165.db2.gz NIVYOWRTZWRZHS-OAHLLOKOSA-N 0 0 395.453 5.437 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000064578724 222075295 /nfs/dbraw/zinc/07/52/95/222075295.db2.gz VBOZGTCZZUMFMP-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Cl)cc3C)cc12 ZINC000064567886 222075335 /nfs/dbraw/zinc/07/53/35/222075335.db2.gz ARGLGSWKJBAEEF-UHFFFAOYSA-N 0 0 381.888 5.610 50 0 GKAARN COc1cccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc32)c1 ZINC000064568476 222075483 /nfs/dbraw/zinc/07/54/83/222075483.db2.gz NBZCHGHXSZTOLD-KRWDZBQOSA-N 0 0 389.499 5.168 50 0 GKAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccc(OC)cc3)csc21 ZINC000064604484 222077104 /nfs/dbraw/zinc/07/71/04/222077104.db2.gz VJJQHNZKVQLICL-QGZVFWFLSA-N 0 0 379.481 5.297 50 0 GKAARN CN1c2ccc(-c3noc(-c4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064666776 222077437 /nfs/dbraw/zinc/07/74/37/222077437.db2.gz KAGLXLGHVKXFRF-UHFFFAOYSA-N 0 0 385.448 5.145 50 0 GKAARN c1sc(-c2ccccc2)nc1-c1ccc(-c2noc(-c3ccccn3)n2)cc1 ZINC000064669113 222077750 /nfs/dbraw/zinc/07/77/50/222077750.db2.gz VMDNYFLVNWUFMY-UHFFFAOYSA-N 0 0 382.448 5.589 50 0 GKAARN CCCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669411 222078002 /nfs/dbraw/zinc/07/80/02/222078002.db2.gz QPPZWNOZHWVJRI-UHFFFAOYSA-N 0 0 381.451 5.204 50 0 GKAARN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)Nc1ccc(F)cc1 ZINC000064675675 222078980 /nfs/dbraw/zinc/07/89/80/222078980.db2.gz BHWUAEJWUMHOQI-UHFFFAOYSA-N 0 0 393.849 5.365 50 0 GKAARN CCc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(C)c(C)c3)cn12 ZINC000064676238 222079022 /nfs/dbraw/zinc/07/90/22/222079022.db2.gz LBONTPVRUXSXEY-UHFFFAOYSA-N 0 0 389.524 5.423 50 0 GKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cs2)n1C ZINC000064676538 222079382 /nfs/dbraw/zinc/07/93/82/222079382.db2.gz FDWWEGDGVFLDGF-UHFFFAOYSA-N 0 0 399.825 5.382 50 0 GKAARN CCN1c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Oc2ccccc2C1=O ZINC000064677313 222079546 /nfs/dbraw/zinc/07/95/46/222079546.db2.gz DLNBGLKVNNAMDS-UHFFFAOYSA-N 0 0 386.451 5.328 50 0 GKAARN CCCCn1c(=O)c2sc3ncccc3c2nc1SCc1ccccc1F ZINC000064700300 222079561 /nfs/dbraw/zinc/07/95/61/222079561.db2.gz FDCCBNPNWZCTFJ-UHFFFAOYSA-N 0 0 399.516 5.238 50 0 GKAARN CC(C)Oc1ccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000064677640 222079776 /nfs/dbraw/zinc/07/97/76/222079776.db2.gz VGNLESMRKCCEBX-UHFFFAOYSA-N 0 0 377.469 5.238 50 0 GKAARN CN1c2cc(C(=O)Nc3ccc(Cl)cc3F)ccc2Oc2ccccc2C1=O ZINC000064677283 222079844 /nfs/dbraw/zinc/07/98/44/222079844.db2.gz QSFIHMACQUQVAB-UHFFFAOYSA-N 0 0 396.805 5.114 50 0 GKAARN Cc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)c2ccccc2O3)cc1Cl ZINC000064677270 222079868 /nfs/dbraw/zinc/07/98/68/222079868.db2.gz QWNOAWAUUCJBID-UHFFFAOYSA-N 0 0 392.842 5.283 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)cc1C ZINC000064747685 222080615 /nfs/dbraw/zinc/08/06/15/222080615.db2.gz MXFHHRDXHLQVDO-SFHVURJKSA-N 0 0 398.413 5.001 50 0 GKAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1 ZINC000064837517 222083948 /nfs/dbraw/zinc/08/39/48/222083948.db2.gz ICSPOWGMZVRGFW-UHFFFAOYSA-N 0 0 390.892 5.029 50 0 GKAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 ZINC000064837472 222084008 /nfs/dbraw/zinc/08/40/08/222084008.db2.gz NYDOOMYICZIMIW-UHFFFAOYSA-N 0 0 390.892 5.029 50 0 GKAARN Cc1ccc(NC(=O)N2CCC([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000064847709 222085505 /nfs/dbraw/zinc/08/55/05/222085505.db2.gz YJQFMWHEAPLMSO-LJQANCHMSA-N 0 0 393.531 5.131 50 0 GKAARN O=C(NC1CCCCCCC1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064872357 222086814 /nfs/dbraw/zinc/08/68/14/222086814.db2.gz HAYOADKBCLYGOJ-UHFFFAOYSA-N 0 0 396.531 6.188 50 0 GKAARN O=C(NC1CCCCCC1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000064968480 222090829 /nfs/dbraw/zinc/09/08/29/222090829.db2.gz SSHLDRIRGGSSNM-UHFFFAOYSA-N 0 0 382.891 5.525 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064967854 222091330 /nfs/dbraw/zinc/09/13/30/222091330.db2.gz YMKVADFNCHYTOT-UHFFFAOYSA-N 0 0 376.843 5.633 50 0 GKAARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C(C)C)cc2)s1 ZINC000064984195 222091981 /nfs/dbraw/zinc/09/19/81/222091981.db2.gz PBLWYVNKFCNXNR-IBGZPJMESA-N 0 0 377.575 5.486 50 0 GKAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CCCC[C@@H]1C ZINC000065240944 222115432 /nfs/dbraw/zinc/11/54/32/222115432.db2.gz FXFUSHCRFRKLLB-AWEZNQCLSA-N 0 0 382.533 5.064 50 0 GKAARN COCCCNc1c(-c2ccc(N(C)C)cc2)nc2sc3cc(C)ccc3n21 ZINC000065319297 222123218 /nfs/dbraw/zinc/12/32/18/222123218.db2.gz SWTIKRKRUVQNEB-UHFFFAOYSA-N 0 0 394.544 5.039 50 0 GKAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1 ZINC000065331350 222124046 /nfs/dbraw/zinc/12/40/46/222124046.db2.gz LWMSJPBQRFEQID-KRWDZBQOSA-N 0 0 395.890 5.097 50 0 GKAARN Cc1ccc(-c2ncc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)s2)c(C)c1 ZINC000065530643 222133684 /nfs/dbraw/zinc/13/36/84/222133684.db2.gz UFBAGTRSPOZCIF-YJBOKZPZSA-N 0 0 380.513 5.416 50 0 GKAARN Cc1nc(C)c([C@@H](C)NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)s1 ZINC000065518691 222133765 /nfs/dbraw/zinc/13/37/65/222133765.db2.gz VSHAPGXWOBRWDD-SECBINFHSA-N 0 0 399.463 5.188 50 0 GKAARN CN(C(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000065846932 222135230 /nfs/dbraw/zinc/13/52/30/222135230.db2.gz CTETYTWEXPPYQZ-UHFFFAOYSA-N 0 0 376.406 5.244 50 0 GKAARN OCC[C@@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1 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CCCn1c(=O)c2ccccc2nc1SCc1ccccc1C(F)(F)F ZINC000067258680 222142515 /nfs/dbraw/zinc/14/25/15/222142515.db2.gz WXQKIGXJLACVRG-UHFFFAOYSA-N 0 0 378.419 5.118 50 0 GKAARN CCCCn1c(=O)c2ccccc2nc1SCc1ccccc1C(F)(F)F ZINC000067259713 222142546 /nfs/dbraw/zinc/14/25/46/222142546.db2.gz YJOQDMDMXQOTGW-UHFFFAOYSA-N 0 0 392.446 5.508 50 0 GKAARN Cc1cc(Cl)ccc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 ZINC000067295546 222143215 /nfs/dbraw/zinc/14/32/15/222143215.db2.gz LZAJMPQPLLQKAZ-LVWGJNHUSA-N 0 0 392.842 5.150 50 0 GKAARN C[C@@H](Nc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12)c1ccccc1 ZINC000067261410 222143656 /nfs/dbraw/zinc/14/36/56/222143656.db2.gz QZMFNPDTBDOSAR-OAHLLOKOSA-N 0 0 383.430 5.257 50 0 GKAARN Cc1cc(Cl)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 ZINC000067296148 222143957 /nfs/dbraw/zinc/14/39/57/222143957.db2.gz ACMAWMLJXUEQPW-NMWGTECJSA-N 0 0 395.871 5.336 50 0 GKAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 ZINC000067296032 222144074 /nfs/dbraw/zinc/14/40/74/222144074.db2.gz WLUBVAZXGMBLKA-QOCHGBHMSA-N 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CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1F ZINC000000822387 520686712 /nfs/dbraw/zinc/68/67/12/520686712.db2.gz DHLMTJZBNNFFMH-UHFFFAOYSA-N 0 0 387.526 6.241 50 0 GKAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000025582831 534528507 /nfs/dbraw/zinc/52/85/07/534528507.db2.gz UKOHEWLQXWXKOR-YLJYHZDGSA-N 0 0 384.863 5.783 50 0 GKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2cccs2)cc1 ZINC000008185741 523072152 /nfs/dbraw/zinc/07/21/52/523072152.db2.gz QBOBJXMYPFFBLK-UHFFFAOYSA-N 0 0 390.508 5.154 50 0 GKAARN CCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000009256508 523877353 /nfs/dbraw/zinc/87/73/53/523877353.db2.gz BVEBNRRMFYCELB-LJQANCHMSA-N 0 0 392.524 5.185 50 0 GKAARN COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000002523722 524130056 /nfs/dbraw/zinc/13/00/56/524130056.db2.gz QQZCEMYBUPHUNE-UHFFFAOYSA-N 0 0 391.471 5.374 50 0 GKAARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1OC ZINC000000719890 524130782 /nfs/dbraw/zinc/13/07/82/524130782.db2.gz ZVBBUKRNSYORAQ-OAQYLSRUSA-N 0 0 394.858 5.128 50 0 GKAARN COc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000000780068 524560746 /nfs/dbraw/zinc/56/07/46/524560746.db2.gz CLFFXYSIZLJRIW-UHFFFAOYSA-N 0 0 378.453 5.539 50 0 GKAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccs1)[C@H]2O ZINC000253508544 525354102 /nfs/dbraw/zinc/35/41/02/525354102.db2.gz VBRMEHQXAMZRMQ-REVWBJKLSA-N 0 0 386.601 5.506 50 0 GKAARN CSCCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000008185331 525368743 /nfs/dbraw/zinc/36/87/43/525368743.db2.gz MFVGCENNQJPEPZ-UHFFFAOYSA-N 0 0 386.517 5.236 50 0 GKAARN O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(Cl)ccc2c1Cl ZINC000232314121 534872488 /nfs/dbraw/zinc/87/24/88/534872488.db2.gz UKMUOIVMBWZQDQ-UHFFFAOYSA-N 0 0 390.650 5.167 50 0 GKAARN Cc1ccc(-c2nc(CSc3nnc(Cc4ccccc4)n3C)cs2)cc1 ZINC000003448530 525816325 /nfs/dbraw/zinc/81/63/25/525816325.db2.gz GYETVJOJSAPZNS-UHFFFAOYSA-N 0 0 392.553 5.130 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)C(F)(F)F)C(C)(C)c1ssc(=S)c1-2 ZINC000000822171 526165592 /nfs/dbraw/zinc/16/55/92/526165592.db2.gz FHHDIEGILZZTKB-UHFFFAOYSA-N 0 0 375.462 5.659 50 0 GKAARN O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccccc1F ZINC000000670291 526446860 /nfs/dbraw/zinc/44/68/60/526446860.db2.gz KMSDOXGGXSXPDZ-DEDYPNTBSA-N 0 0 376.408 5.374 50 0 GKAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H](C)[C@](C)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000409413413 527116363 /nfs/dbraw/zinc/11/63/63/527116363.db2.gz CYQDBDOFCYSROZ-OVYVPSBWSA-N 0 0 386.576 5.722 50 0 GKAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000033123811 527136386 /nfs/dbraw/zinc/13/63/86/527136386.db2.gz UWVZIJQJAWJPGW-UHFFFAOYSA-N 0 0 385.423 5.250 50 0 GKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2c(c1)OCO2 ZINC000036644267 527166437 /nfs/dbraw/zinc/16/64/37/527166437.db2.gz ZTAFHAUCXLXSNZ-UHFFFAOYSA-N 0 0 375.468 5.135 50 0 GKAARN O=C(Nc1ccc2c(c1)OCCO2)N1c2ccccc2Sc2ccccc21 ZINC000000780067 527286383 /nfs/dbraw/zinc/28/63/83/527286383.db2.gz ZNQYFBUFAHCDOO-UHFFFAOYSA-N 0 0 376.437 5.293 50 0 GKAARN CC(C)(C)C1CCC2(CC1)Nc1ccccc1-c1nc(-c3cccs3)nn12 ZINC000408525759 527633867 /nfs/dbraw/zinc/63/38/67/527633867.db2.gz BKNDERNPZQZHDD-UHFFFAOYSA-N 0 0 378.545 5.988 50 0 GKAARN CCCCCCNC(=O)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057803 528145549 /nfs/dbraw/zinc/14/55/49/528145549.db2.gz VTXBLZJKLMCNQP-UHFFFAOYSA-N 0 0 393.462 5.385 50 0 GKAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)Nc1ccccc1-2 ZINC000002084447 528251759 /nfs/dbraw/zinc/25/17/59/528251759.db2.gz UWRIBOJLSYNFIF-LJQANCHMSA-N 0 0 396.491 5.463 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)Nc1ccccc1-2 ZINC000002083675 528746045 /nfs/dbraw/zinc/74/60/45/528746045.db2.gz VXJOVMOGNUBVEQ-FQEVSTJZSA-N 0 0 392.528 5.496 50 0 GKAARN CCCCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 ZINC000245226919 528746114 /nfs/dbraw/zinc/74/61/14/528746114.db2.gz SLFIGCWGIXPCBH-JXXFODFXSA-N 0 0 396.560 5.554 50 0 GKAARN CCCn1c2ccc(Cl)cc2nc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000008724006 528824203 /nfs/dbraw/zinc/82/42/03/528824203.db2.gz JXUFKHMRRBWVLF-LBPRGKRZSA-N 0 0 398.919 5.190 50 0 GKAARN CC(C)(C)c1ccc(NC(=O)CN2c3ccccc3Sc3ccccc32)cc1 ZINC000003305508 535119840 /nfs/dbraw/zinc/11/98/40/535119840.db2.gz VXSTVYPEQKWGAY-UHFFFAOYSA-N 0 0 388.536 6.226 50 0 GKAARN CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(N2CCCCC2)cc1 ZINC000001913378 535715514 /nfs/dbraw/zinc/71/55/14/535715514.db2.gz YFZNPWDLBCMDFF-UHFFFAOYSA-N 0 0 393.462 5.285 50 0 GKAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C(C)(C)C)cc1)CO3 ZINC000002125107 536095127 /nfs/dbraw/zinc/09/51/27/536095127.db2.gz MXGKOJXNZGGIMQ-UHFFFAOYSA-N 0 0 377.484 5.318 50 0 biogenic GKAARN COC1CCN(c2ccc(NC(=O)CCc3cccc4ccccc43)cc2)CC1 ZINC000096104481 536758287 /nfs/dbraw/zinc/75/82/87/536758287.db2.gz XNZLAXAQBPMVDF-UHFFFAOYSA-N 0 0 388.511 5.026 50 0 GKAARN Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 ZINC000000602170 560178478 /nfs/dbraw/zinc/17/84/78/560178478.db2.gz GIUZEIJUFOPTMR-UHFFFAOYSA-N 0 0 394.862 5.134 50 0 in-vitro GKAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCCCc1ccccc1 ZINC000023305033 570210471 /nfs/dbraw/zinc/21/04/71/570210471.db2.gz IFGRIPULGGTJGI-UHFFFAOYSA-N 0 0 388.389 5.031 50 0 GKAARN Cc1cc(OCC(=O)c2ccc3ccccc3c2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000000622111 570210630 /nfs/dbraw/zinc/21/06/30/570210630.db2.gz CHPWRJGFWWLCLS-UHFFFAOYSA-N 0 0 398.458 5.395 50 0 GKAARN CC(C)(c1ccc(C(=O)c2ccco2)cc1)c1ccc(C(=O)c2ccco2)cc1 ZINC000000622411 570210635 /nfs/dbraw/zinc/21/06/35/570210635.db2.gz QZCQWRAEGMSLNW-UHFFFAOYSA-N 0 0 384.431 5.661 50 0 GKAARN Clc1ccc(CS[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 ZINC000000601250 570210636 /nfs/dbraw/zinc/21/06/36/570210636.db2.gz AFNXATANNDIXLG-GOSISDBHSA-N 0 0 397.758 6.518 50 0 aggregator,fda GKAARN Clc1ccc(NCc2nn3c4c(c(-c5ccccc5)cn24)CCCC3)cc1 ZINC000000623050 570211078 /nfs/dbraw/zinc/21/10/78/570211078.db2.gz PZERHYSPBBNZKC-UHFFFAOYSA-N 0 0 376.891 5.405 50 0 GKAARN CCOc1cc(-c2nc(-c3ccc(Cl)cc3)no2)cc(OCC)c1OCC ZINC000000627863 570211342 /nfs/dbraw/zinc/21/13/42/570211342.db2.gz RRALMPHXIQECLZ-UHFFFAOYSA-N 0 0 388.851 5.253 50 0 GKAARN CC1=C(c2ccccc2)S[C@]2(c3ccccc3)c3nc4ccccc4n3C(=O)[C@@H]12 ZINC000000626887 570211404 /nfs/dbraw/zinc/21/14/04/570211404.db2.gz SNXXKMXMDUDTCB-BWKNWUBXSA-N 0 0 394.499 5.728 50 0 GKAARN Clc1ccc(OCCNc2ccc(OC[C@H]3CCCO3)cc2)c(Cl)c1 ZINC000019738220 570211692 /nfs/dbraw/zinc/21/16/92/570211692.db2.gz SGHUUTBCESHPMD-QGZVFWFLSA-N 0 0 382.287 5.042 50 0 GKAARN C[C@H](CNc1ccc(OC[C@H]2CCCO2)cc1)Oc1ccc(Cl)cc1Cl ZINC000019738225 570211778 /nfs/dbraw/zinc/21/17/78/570211778.db2.gz CTXPUPGFWDXUNS-RDTXWAMCSA-N 0 0 396.314 5.431 50 0 GKAARN CC(C)(C)c1ccc(OCCNc2ccc(OCCc3ccccc3)cc2)cc1 ZINC000019738291 570211782 /nfs/dbraw/zinc/21/17/82/570211782.db2.gz NOQOUFDCJTZIGT-UHFFFAOYSA-N 0 0 389.539 6.097 50 0 GKAARN CCC(C)(C)c1ccc(OCCNc2cccc(OCc3ccccc3)c2)cc1 ZINC000019738479 570211860 /nfs/dbraw/zinc/21/18/60/570211860.db2.gz NXOOZNPIQXQSMX-UHFFFAOYSA-N 0 0 389.539 6.444 50 0 GKAARN Cc1cc(C)cc(OCCNc2ccc(OCCCc3ccccc3)cc2)c1 ZINC000019738418 570211916 /nfs/dbraw/zinc/21/19/16/570211916.db2.gz LPVCTUFLQSKAEW-UHFFFAOYSA-N 0 0 375.512 5.806 50 0 GKAARN Cc1cc(C)cc(OCCNc2ccccc2OCCOc2ccccc2)c1 ZINC000019738438 570211926 /nfs/dbraw/zinc/21/19/26/570211926.db2.gz VSBJSFYSVQJMSH-UHFFFAOYSA-N 0 0 377.484 5.252 50 0 GKAARN CC[C@H](C)c1ccccc1OCCNc1ccc(OCCC2CCCCC2)cc1 ZINC000019738558 570211936 /nfs/dbraw/zinc/21/19/36/570211936.db2.gz IEHWQKQQVZLNBJ-NRFANRHFSA-N 0 0 395.587 7.040 50 0 GKAARN C[C@H](CNc1ccccc1OCc1ccccc1)Oc1ccc(C(C)(C)C)cc1 ZINC000019738502 570211945 /nfs/dbraw/zinc/21/19/45/570211945.db2.gz CGMIVTABGONJND-HXUWFJFHSA-N 0 0 389.539 6.443 50 0 GKAARN O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000000632004 570212004 /nfs/dbraw/zinc/21/20/04/570212004.db2.gz SZZOPUFXBBUKHT-UHFFFAOYSA-N 0 0 379.843 5.734 50 0 GKAARN Cc1oc(-c2ccc(C)cc2)nc1CN(C)Cc1nc(-c2ccccc2)cs1 ZINC000019739676 570212179 /nfs/dbraw/zinc/21/21/79/570212179.db2.gz QCWOECRKQFLUGN-UHFFFAOYSA-N 0 0 389.524 5.714 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2ccc3ccccc3c12 ZINC000000632563 570212165 /nfs/dbraw/zinc/21/21/65/570212165.db2.gz JUNZPXBEPPIEFE-UHFFFAOYSA-N 0 0 393.442 5.653 50 0 GKAARN COC(=O)c1ccc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 ZINC000000633038 570212207 /nfs/dbraw/zinc/21/22/07/570212207.db2.gz WEZGMVVHTMLSPB-OAHLLOKOSA-N 0 0 377.415 5.022 50 0 GKAARN Cc1nn(C(=O)c2ccccc2Br)c(C)c1Sc1ccccc1 ZINC000000633935 570212546 /nfs/dbraw/zinc/21/25/46/570212546.db2.gz FVKMJTIZTHJLPL-UHFFFAOYSA-N 0 0 387.302 5.102 50 0 GKAARN COc1ccccc1NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(C)C ZINC000000637612 570212939 /nfs/dbraw/zinc/21/29/39/570212939.db2.gz IRRSTKIHKRJAEO-ZMVDSDSOSA-N 0 0 397.518 5.813 50 0 GKAARN O=C(NC(=S)Nc1cccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000000641637 570213648 /nfs/dbraw/zinc/21/36/48/570213648.db2.gz FQKUABDEHKGRGS-UHFFFAOYSA-N 0 0 375.280 5.273 50 0 GKAARN COc1ccc(C(=O)c2ccccc2)c(OC(=O)Nc2ccc(Cl)cc2)c1 ZINC000000640655 570213681 /nfs/dbraw/zinc/21/36/81/570213681.db2.gz PPUOBUIIIIHLLQ-UHFFFAOYSA-N 0 0 381.815 5.191 50 0 GKAARN COc1ccccc1CN1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000019745849 570213690 /nfs/dbraw/zinc/21/36/90/570213690.db2.gz PSFKBQPAOAJFHW-RUZDIDTESA-N 0 0 384.479 5.030 50 0 GKAARN COc1ccc(C)cc1NC(=O)Oc1cc(C)c(Cl)cc1Br ZINC000000640878 570213703 /nfs/dbraw/zinc/21/37/03/570213703.db2.gz VUVKYLNSUCMTBP-UHFFFAOYSA-N 0 0 384.657 5.339 50 0 GKAARN CC(C)(C)N(Cc1ccccc1)C(=O)CC[C@@H]1CCCC[C@@]1(O)c1ccccc1 ZINC000000644710 570213943 /nfs/dbraw/zinc/21/39/43/570213943.db2.gz HYVBUJLNKMUDJU-JYFHCDHNSA-N 0 0 393.571 5.672 50 0 GKAARN CCOc1ccc([C@@H](C)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000000649043 570214289 /nfs/dbraw/zinc/21/42/89/570214289.db2.gz YQEQOWRSZPMGKG-LLVKDONJSA-N 0 0 394.323 6.098 50 0 GKAARN c1ccc(OCc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1 ZINC000000655278 570214665 /nfs/dbraw/zinc/21/46/65/570214665.db2.gz YFNHVTIISJUONU-UHFFFAOYSA-N 0 0 394.474 5.848 50 0 GKAARN Cc1cc(C=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000000655872 570214711 /nfs/dbraw/zinc/21/47/11/570214711.db2.gz HYGLTQMBQMYREW-UHFFFAOYSA-N 0 0 378.497 5.099 50 0 GKAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cccc2c(Br)cccc12 ZINC000000665038 570215058 /nfs/dbraw/zinc/21/50/58/570215058.db2.gz RWOQYWSEGRDVPJ-UHFFFAOYSA-N 0 0 384.317 5.157 50 0 GKAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 ZINC000000659587 570215108 /nfs/dbraw/zinc/21/51/08/570215108.db2.gz DKLSMZVDFQZNNH-UHFFFAOYSA-N 0 0 378.435 5.134 50 0 GKAARN Cc1occc1C(=O)Nc1scc(-c2cc(C)ccc2C)c1C(=O)OC(C)C ZINC000000668845 570215382 /nfs/dbraw/zinc/21/53/82/570215382.db2.gz PUXWJMOVTVFOFQ-UHFFFAOYSA-N 0 0 397.496 5.751 50 0 GKAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000666703 570215505 /nfs/dbraw/zinc/21/55/05/570215505.db2.gz SLQWLZZTGTXMCD-UHFFFAOYSA-N 0 0 379.287 5.245 50 0 GKAARN COc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OCc2ccccc2)c1 ZINC000000667562 570215508 /nfs/dbraw/zinc/21/55/08/570215508.db2.gz WLDWTDFBJFVYSV-UHFFFAOYSA-N 0 0 397.858 5.189 50 0 GKAARN CCc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000000672704 570215774 /nfs/dbraw/zinc/21/57/74/570215774.db2.gz JUFLTXGBESZTRX-UHFFFAOYSA-N 0 0 384.454 5.533 50 0 GKAARN CC(=O)N1C[C@H](c2cnc(-c3ccccc3)c(C)c2)C=C(C)[C@@H]1c1ccccc1 ZINC000000678460 570216371 /nfs/dbraw/zinc/21/63/71/570216371.db2.gz OWKLUUUEZDCPRP-AOYPEHQESA-N 0 0 382.507 5.690 50 0 GKAARN CC(=O)Nc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1 ZINC000000680203 570216920 /nfs/dbraw/zinc/21/69/20/570216920.db2.gz ABQYSXHKDRSJSG-UHFFFAOYSA-N 0 0 395.553 5.863 50 0 GKAARN O=C(Nc1cc(Cl)ccc1OC(=O)c1ccccc1F)c1ccccc1F ZINC000000682290 570217066 /nfs/dbraw/zinc/21/70/66/570217066.db2.gz AQKHKEFNXWBFQY-UHFFFAOYSA-N 0 0 387.769 5.090 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000000682196 570217074 /nfs/dbraw/zinc/21/70/74/570217074.db2.gz KOIWMAPVAWSEIT-UHFFFAOYSA-N 0 0 379.843 5.222 50 0 GKAARN Cc1ccc(OC(=O)c2ccc(Br)cc2Br)c(C)c1 ZINC000000682516 570217128 /nfs/dbraw/zinc/21/71/28/570217128.db2.gz IIHPNMMJMVYGCF-UHFFFAOYSA-N 0 0 384.067 5.048 50 0 GKAARN COc1ccccc1OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000000682554 570217190 /nfs/dbraw/zinc/21/71/90/570217190.db2.gz JBRVWCGKASDZFA-SECBINFHSA-N 0 0 375.635 5.028 50 0 GKAARN O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1cc(Cl)cc(Cl)c1 ZINC000004294101 570217314 /nfs/dbraw/zinc/21/73/14/570217314.db2.gz PMXYDNQWNWZUMH-UHFFFAOYSA-N 0 0 397.286 6.503 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(F)(F)F ZINC000000685919 570217818 /nfs/dbraw/zinc/21/78/18/570217818.db2.gz GFXPSFQWCRWDKT-UHFFFAOYSA-N 0 0 385.407 5.216 50 0 GKAARN COc1ccc(CCCC(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000000685630 570217919 /nfs/dbraw/zinc/21/79/19/570217919.db2.gz GNLILCFKKOKSOA-UHFFFAOYSA-N 0 0 376.294 5.036 50 0 GKAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000004305413 570218718 /nfs/dbraw/zinc/21/87/18/570218718.db2.gz VZEUUSVHPLHHRL-LJQANCHMSA-N 0 0 397.931 5.327 50 0 GKAARN COc1ccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1OC ZINC000000704945 570219023 /nfs/dbraw/zinc/21/90/23/570219023.db2.gz HSJNNUOZDGADMB-UHFFFAOYSA-N 0 0 383.447 5.836 50 0 GKAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000000706393 570219065 /nfs/dbraw/zinc/21/90/65/570219065.db2.gz YDRYYVKNYZOBHM-HXUWFJFHSA-N 0 0 382.822 5.259 50 0 GKAARN O=C(CSc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304714 570219367 /nfs/dbraw/zinc/21/93/67/570219367.db2.gz BLVXLAPDLWREDY-UHFFFAOYSA-N 0 0 391.521 5.017 50 0 GKAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000715201 570219646 /nfs/dbraw/zinc/21/96/46/570219646.db2.gz GHLUHTGCQCIBNF-JOCHJYFZSA-N 0 0 392.499 5.124 50 0 GKAARN O=C(c1cccc(Cl)c1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304725 570219666 /nfs/dbraw/zinc/21/96/66/570219666.db2.gz VQECAVRFGJZCDS-UHFFFAOYSA-N 0 0 379.872 5.192 50 0 GKAARN Cc1ccc(-c2nnc(-n3nnc4cc(C)c(C)cc43)c3ccccc32)cc1C ZINC000000715707 570219735 /nfs/dbraw/zinc/21/97/35/570219735.db2.gz HXURHVMQBLOBBR-UHFFFAOYSA-N 0 0 379.467 5.264 50 0 GKAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1cccnc1 ZINC000000719332 570220079 /nfs/dbraw/zinc/22/00/79/570220079.db2.gz LNTOVNLVQPJURV-UHFFFAOYSA-N 0 0 394.496 5.363 50 0 GKAARN Cc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)c1 ZINC000000722559 570220437 /nfs/dbraw/zinc/22/04/37/570220437.db2.gz CUBTVLPZPOABDK-UHFFFAOYSA-N 0 0 378.431 6.209 50 0 GKAARN COc1cc(-c2csc(-c3cccc(OC)c3OC)n2)ccc1OC(F)F ZINC000032534765 570220546 /nfs/dbraw/zinc/22/05/46/570220546.db2.gz RXWDKCBPGJUJKM-UHFFFAOYSA-N 0 0 393.411 5.104 50 0 GKAARN COc1ccccc1[C@@H](NC(=O)c1cc(-c2ccccc2)oc1C)c1ccccc1 ZINC000019811688 570221138 /nfs/dbraw/zinc/22/11/38/570221138.db2.gz ZPWTUZLAUMPXCQ-VWLOTQADSA-N 0 0 397.474 5.783 50 0 GKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1c(C)cccc1C ZINC000000728434 570221311 /nfs/dbraw/zinc/22/13/11/570221311.db2.gz UXILNZIANNWKIT-UHFFFAOYSA-N 0 0 375.255 5.826 50 0 GKAARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000000727760 570221382 /nfs/dbraw/zinc/22/13/82/570221382.db2.gz RTZPRIIFTYSMAR-UHFFFAOYSA-N 0 0 392.842 5.799 50 0 GKAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)NC1CCCCC1)c1ccccc1 ZINC000012807291 570221505 /nfs/dbraw/zinc/22/15/05/570221505.db2.gz NQPVDGSVMYTABR-QHCPKHFHSA-N 0 0 378.541 5.246 50 0 GKAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)C4CCCCC4)cc3c2C)c1 ZINC000015729464 570221669 /nfs/dbraw/zinc/22/16/69/570221669.db2.gz DTEKUXNBMQVGNS-UHFFFAOYSA-N 0 0 391.467 5.500 50 0 GKAARN Cc1c2cc(NC(=O)c3ccccn3)ccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000015729461 570221675 /nfs/dbraw/zinc/22/16/75/570221675.db2.gz SEEUGZJVLZVCNU-UHFFFAOYSA-N 0 0 390.826 5.273 50 0 GKAARN CCN(CC)c1ccc(Nc2nc(-c3c(C)nc4sccn43)cs2)cc1 ZINC000000753705 570222035 /nfs/dbraw/zinc/22/20/35/570222035.db2.gz DQENEWSWLJLWIC-UHFFFAOYSA-N 0 0 383.546 5.418 50 0 GKAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000000753312 570222110 /nfs/dbraw/zinc/22/21/10/570222110.db2.gz URHZGGSOJNPILZ-UHFFFAOYSA-N 0 0 379.468 5.662 50 0 GKAARN CCC(=O)c1c(-c2ccccc2)nc2n(Cc3ccccc3)c3ccccc3n12 ZINC000000759250 570222262 /nfs/dbraw/zinc/22/22/62/570222262.db2.gz KHGLTKOZZWPICP-UHFFFAOYSA-N 0 0 379.463 5.597 50 0 GKAARN COc1ccc2cc(C(=O)Nc3ccc(-c4cc5cc(F)ccc5[nH]4)cc3)[nH]c2c1 ZINC000015730177 570222406 /nfs/dbraw/zinc/22/24/06/570222406.db2.gz ARUGOHRESKIRDJ-UHFFFAOYSA-N 0 0 399.425 5.716 50 0 GKAARN Fc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1 ZINC000019823613 570222687 /nfs/dbraw/zinc/22/26/87/570222687.db2.gz DXCRBTHQZNZBCK-UHFFFAOYSA-N 0 0 396.878 5.414 50 0 GKAARN COc1ccc([C@@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000783557 570223215 /nfs/dbraw/zinc/22/32/15/570223215.db2.gz ZZXCINIXCYUYKC-QFIPXVFZSA-N 0 0 392.405 5.057 50 0 GKAARN C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2I ZINC000085344718 570223394 /nfs/dbraw/zinc/22/33/94/570223394.db2.gz DHZJEYGWSNDRGN-JJJXKZEHSA-N 0 0 398.328 5.239 50 0 GKAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2C)c(C)n1 ZINC000019835574 570223758 /nfs/dbraw/zinc/22/37/58/570223758.db2.gz SURZUNTYSGYRFY-RUZDIDTESA-N 0 0 384.527 5.149 50 0 GKAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)c(C)n1 ZINC000019835572 570223835 /nfs/dbraw/zinc/22/38/35/570223835.db2.gz SURZUNTYSGYRFY-VWLOTQADSA-N 0 0 384.527 5.149 50 0 GKAARN CCCC(=O)Oc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000000804891 570224346 /nfs/dbraw/zinc/22/43/46/570224346.db2.gz RNRXSUIBDROTTO-SFHVURJKSA-N 0 0 389.451 5.028 50 0 GKAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000006049118 570224503 /nfs/dbraw/zinc/22/45/03/570224503.db2.gz JHPSEZZPXMBMBA-UHFFFAOYSA-N 0 0 388.507 5.147 50 0 GKAARN CCCCC[C@@H](NC(=O)OCc1ccccc1)[P@@](=O)(OC)c1ccccc1 ZINC000085389573 570224627 /nfs/dbraw/zinc/22/46/27/570224627.db2.gz VXRBUJJBIHOEHQ-DCFHFQCYSA-N 0 0 389.432 5.069 50 0 GKAARN Cc1cccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019842691 570225292 /nfs/dbraw/zinc/22/52/92/570225292.db2.gz HYKCUXCMCSIOKX-UHFFFAOYSA-N 0 0 386.564 5.078 50 0 GKAARN O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1ccccc1Cl ZINC000001447972 570225324 /nfs/dbraw/zinc/22/53/24/570225324.db2.gz YHQYJUIRZKWPFB-UHFFFAOYSA-N 0 0 376.795 5.333 50 0 GKAARN Cc1c2cc(Cl)cc(Cl)c2oc1-c1cc(=O)oc2cc3c(cc21)OCO3 ZINC000001448202 570225415 /nfs/dbraw/zinc/22/54/15/570225415.db2.gz LDCJGYQHZYWAIE-UHFFFAOYSA-N 0 0 389.190 5.550 50 0 biogenic GKAARN O=C(COc1ccccc1)N(Cc1ccco1)c1nc2ccc(Cl)cc2s1 ZINC000010528214 570225585 /nfs/dbraw/zinc/22/55/85/570225585.db2.gz PSNSMVXXMCXVAO-UHFFFAOYSA-N 0 0 398.871 5.155 50 0 GKAARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc2ccccc2o1 ZINC000000841552 570226249 /nfs/dbraw/zinc/22/62/49/570226249.db2.gz PVRWEHPOPASQNS-UHFFFAOYSA-N 0 0 384.460 6.270 50 0 GKAARN Cc1ccc(Cc2cnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1 ZINC000000851442 570226453 /nfs/dbraw/zinc/22/64/53/570226453.db2.gz ZENIGFJBIQCBRG-UHFFFAOYSA-N 0 0 398.531 5.813 50 0 GKAARN CCOc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 ZINC000000848333 570226457 /nfs/dbraw/zinc/22/64/57/570226457.db2.gz IYGNKDFGGAJHLH-JLHYYAGUSA-N 0 0 378.497 5.093 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000856078 570226806 /nfs/dbraw/zinc/22/68/06/570226806.db2.gz HKMWUEBTVWGJBW-UHFFFAOYSA-N 0 0 396.752 5.454 50 0 GKAARN Cc1ccc(/C=C/c2nn(-c3cccc(Cl)c3)c3c2ccccc3=O)cc1C ZINC000019909806 570229144 /nfs/dbraw/zinc/22/91/44/570229144.db2.gz AWKKMVOHXGQYJA-OUKQBFOZSA-N 0 0 386.882 5.826 50 0 GKAARN Cc1ccc(Cl)c(C(=O)N[C@H]2CCc3[nH]c4c(cc(Cl)cc4C)c3C2)c1 ZINC000023305830 570229127 /nfs/dbraw/zinc/22/91/27/570229127.db2.gz WAXDVMZEEOWDEE-AWEZNQCLSA-N 0 0 387.310 5.379 50 0 GKAARN C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)C1 ZINC000001460259 570229201 /nfs/dbraw/zinc/22/92/01/570229201.db2.gz RBXYFJRGBCZTCA-GJZGRUSLSA-N 0 0 379.891 5.068 50 0 GKAARN CCc1ccc(SCc2csc(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000023306793 570229323 /nfs/dbraw/zinc/22/93/23/570229323.db2.gz NDVBUZCKOZKPIZ-UHFFFAOYSA-N 0 0 377.937 6.381 50 0 GKAARN O=C(c1cc2cc(Br)ccc2o1)c1ccc(Br)cc1 ZINC000011565633 570229375 /nfs/dbraw/zinc/22/93/75/570229375.db2.gz HVBKZFXTROARPR-UHFFFAOYSA-N 0 0 380.035 5.189 50 0 GKAARN O=C(N[C@H]1CCc2ccccc21)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000023307910 570229386 /nfs/dbraw/zinc/22/93/86/570229386.db2.gz RCHLCZMKTUNQAH-QFIPXVFZSA-N 0 0 386.495 5.807 50 0 GKAARN O=C(C[C@@H](Sc1ccccc1)c1ccc(OC(F)F)cc1)c1cccs1 ZINC000001463125 570230002 /nfs/dbraw/zinc/23/00/02/570230002.db2.gz DCUITSQKWMOACF-LJQANCHMSA-N 0 0 390.476 6.456 50 0 GKAARN COc1ccc([C@@H](CC(=O)c2cccs2)SCc2ccco2)cc1OC ZINC000001463333 570230040 /nfs/dbraw/zinc/23/00/40/570230040.db2.gz ZJELFMRCVUQIMI-HXUWFJFHSA-N 0 0 388.510 5.606 50 0 GKAARN COc1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1Br ZINC000000943528 570230660 /nfs/dbraw/zinc/23/06/60/570230660.db2.gz PSZRBZHZOPCPJM-YRNVUSSQSA-N 0 0 382.257 5.263 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccccc1F ZINC000012816229 570230726 /nfs/dbraw/zinc/23/07/26/570230726.db2.gz HCWDWIKLOSDHIM-SNVBAGLBSA-N 0 0 376.790 5.073 50 0 GKAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C(C)C)o2)c2ccccc2)c1 ZINC000012815359 570230943 /nfs/dbraw/zinc/23/09/43/570230943.db2.gz ODYPTEIDWOJMFF-GOSISDBHSA-N 0 0 381.501 5.282 50 0 GKAARN Cc1cc(OCC(=O)c2ccccc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000949206 570231053 /nfs/dbraw/zinc/23/10/53/570231053.db2.gz WUJANJJNNYPQRI-UHFFFAOYSA-N 0 0 398.458 5.262 50 0 GKAARN COC(=O)c1ccc(Oc2ncnc3sc(C)c(-c4ccccc4)c32)cc1 ZINC000000947678 570231072 /nfs/dbraw/zinc/23/10/72/570231072.db2.gz XPTUJLPQZMSAMQ-UHFFFAOYSA-N 0 0 376.437 5.246 50 0 GKAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N(Cc1ccccn1)C1CC1 ZINC000048285729 570231063 /nfs/dbraw/zinc/23/10/63/570231063.db2.gz FJPSZLHOBMYVMJ-UHFFFAOYSA-N 0 0 379.463 5.102 50 0 GKAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(C)c3)s2)c1 ZINC000006057715 570231139 /nfs/dbraw/zinc/23/11/39/570231139.db2.gz JOIZHVJTCVCVBI-CQSZACIVSA-N 0 0 384.530 5.018 50 0 GKAARN CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)cc(OCC)c1OCC ZINC000000951838 570231280 /nfs/dbraw/zinc/23/12/80/570231280.db2.gz RNNYKSKSFJSFGL-UHFFFAOYSA-N 0 0 377.868 5.097 50 0 GKAARN Cc1c(Cl)c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000013984958 570232057 /nfs/dbraw/zinc/23/20/57/570232057.db2.gz BJFDZEMFTFNHBN-FQEVSTJZSA-N 0 0 394.902 5.305 50 0 GKAARN O=C(CSc1cccc2cccnc21)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000000970045 570232214 /nfs/dbraw/zinc/23/22/14/570232214.db2.gz WIUQZRYSLXVVPA-UHFFFAOYSA-N 0 0 394.830 5.134 50 0 GKAARN O=C(CCc1ccccc1)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000959481 570232258 /nfs/dbraw/zinc/23/22/58/570232258.db2.gz GKZAMBTXRNQEEN-UHFFFAOYSA-N 0 0 379.843 5.131 50 0 GKAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000000974529 570232589 /nfs/dbraw/zinc/23/25/89/570232589.db2.gz ZFJWHNZJCNMCIC-UHFFFAOYSA-N 0 0 384.222 5.449 50 0 GKAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCN(c2ccccc2)C[C@H]1C ZINC000012430440 570232764 /nfs/dbraw/zinc/23/27/64/570232764.db2.gz GHZNPXCTRGYORS-MRXNPFEDSA-N 0 0 381.907 5.014 50 0 GKAARN O=c1[nH]c2cc3c(cc2c(-c2ccc(Cl)cc2)c1-c1ccccc1)OCCO3 ZINC000019957199 570233129 /nfs/dbraw/zinc/23/31/29/570233129.db2.gz HPGCCBQTKIAQCM-UHFFFAOYSA-N 0 0 389.838 5.287 50 0 GKAARN COc1cccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)c1OC ZINC000000984777 570233395 /nfs/dbraw/zinc/23/33/95/570233395.db2.gz NFGZRMDDMHKBTB-JOCHJYFZSA-N 0 0 391.492 5.767 50 0 GKAARN Cc1ccc([C@@H]2Sc3ccccc3N=C3c4cc(F)ccc4OC[C@H]32)cc1 ZINC000000990175 570233557 /nfs/dbraw/zinc/23/35/57/570233557.db2.gz QGUFBFJLBIVYSF-JPYJTQIMSA-N 0 0 375.468 6.111 50 0 GKAARN Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c3ccccc3n2)cc1 ZINC000000991983 570233611 /nfs/dbraw/zinc/23/36/11/570233611.db2.gz LWQQQMAGLYQYBS-SFHVURJKSA-N 0 0 395.458 5.638 50 0 GKAARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1F ZINC000000991708 570233682 /nfs/dbraw/zinc/23/36/82/570233682.db2.gz ZZIQFDHRVPPDMK-UHFFFAOYSA-N 0 0 386.220 5.633 50 0 GKAARN CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1 ZINC000000989983 570233760 /nfs/dbraw/zinc/23/37/60/570233760.db2.gz XQDAMJCPMOWQJF-UHFFFAOYSA-N 0 0 386.451 5.763 50 0 GKAARN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(OC)cc3)c2c1 ZINC000000993143 570233962 /nfs/dbraw/zinc/23/39/62/570233962.db2.gz FZUAWFUIHQRGPP-UHFFFAOYSA-N 0 0 382.463 5.725 50 0 GKAARN Fc1cccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000023308537 570233928 /nfs/dbraw/zinc/23/39/28/570233928.db2.gz GGAKJVGGTHVOCR-UHFFFAOYSA-N 0 0 384.328 6.472 50 0 GKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1C ZINC000000994656 570234013 /nfs/dbraw/zinc/23/40/13/570234013.db2.gz YCWRRPSVSJVBDI-UHFFFAOYSA-N 0 0 395.506 5.837 50 0 GKAARN CC(C)CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000004816653 570234032 /nfs/dbraw/zinc/23/40/32/570234032.db2.gz KMYNLSGYVDTQBO-UXHICEINSA-N 0 0 394.906 5.045 50 0 GKAARN COc1cc(OC)c(NC(=O)c2sc(-c3ccsc3)nc2C)cc1Cl ZINC000011604224 570234066 /nfs/dbraw/zinc/23/40/66/570234066.db2.gz QULHLHJESNXAIC-UHFFFAOYSA-N 0 0 394.905 5.103 50 0 GKAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc32)cc1 ZINC000000995307 570234298 /nfs/dbraw/zinc/23/42/98/570234298.db2.gz BEXQPOPLZQQTBK-UHFFFAOYSA-N 0 0 388.492 5.923 50 0 GKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000995128 570234495 /nfs/dbraw/zinc/23/44/95/570234495.db2.gz VWVORLKNJJJMON-MRXNPFEDSA-N 0 0 381.859 5.847 50 0 GKAARN Cc1ccc(NC(=O)/C=C/c2cccs2)c(NC(=O)/C=C\c2cccs2)c1 ZINC000006076471 570235026 /nfs/dbraw/zinc/23/50/26/570235026.db2.gz YVLYHNUZNCXUAB-WAKDDQPJSA-N 0 0 394.521 5.422 50 0 GKAARN O=C(c1ccccc1Cl)N(Cc1nc2cc(Cl)ccc2o1)C1CCCC1 ZINC000023308913 570235279 /nfs/dbraw/zinc/23/52/79/570235279.db2.gz KDBRXIBUQKOVSH-UHFFFAOYSA-N 0 0 389.282 5.720 50 0 GKAARN CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c2ccccc12 ZINC000011613721 570235312 /nfs/dbraw/zinc/23/53/12/570235312.db2.gz PRNGHYAEHGLSIF-UHFFFAOYSA-N 0 0 375.877 5.001 50 0 GKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NCc3cccnc3)c2c1 ZINC000006079469 570235355 /nfs/dbraw/zinc/23/53/55/570235355.db2.gz AFGZXFVCVNQAFR-UHFFFAOYSA-N 0 0 387.870 5.189 50 0 GKAARN Fc1ccc(OCCOc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000006078696 570235358 /nfs/dbraw/zinc/23/53/58/570235358.db2.gz GFRWPJOQCMHZKB-UHFFFAOYSA-N 0 0 384.407 5.094 50 0 GKAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001024762 570235639 /nfs/dbraw/zinc/23/56/39/570235639.db2.gz ZUJCITYIJJVILW-UHFFFAOYSA-N 0 0 387.323 5.626 50 0 GKAARN Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccc(F)cc1 ZINC000001030364 570235944 /nfs/dbraw/zinc/23/59/44/570235944.db2.gz BJWCFFZTMUBHLH-UHFFFAOYSA-N 0 0 396.319 5.028 50 0 in-vitro GKAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1)c1ccccc1 ZINC000001029798 570235947 /nfs/dbraw/zinc/23/59/47/570235947.db2.gz MKRXGMKTECYPAM-UHFFFAOYSA-N 0 0 396.412 5.520 50 0 GKAARN Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000001031702 570236237 /nfs/dbraw/zinc/23/62/37/570236237.db2.gz ARVPRIKGNKJYBL-UHFFFAOYSA-N 0 0 386.398 6.459 50 0 GKAARN Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)Nc1ccccc1 ZINC000001031678 570236246 /nfs/dbraw/zinc/23/62/46/570236246.db2.gz RLFBQKFKNQRIBC-UHFFFAOYSA-N 0 0 378.819 5.247 50 0 GKAARN Cc1ccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2)c2c1CCC2 ZINC000001034343 570236434 /nfs/dbraw/zinc/23/64/34/570236434.db2.gz QXMXBOLZVKETIT-UHFFFAOYSA-N 0 0 377.419 5.454 50 0 GKAARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001035039 570236457 /nfs/dbraw/zinc/23/64/57/570236457.db2.gz FUUQERCYHKHRLG-HXUWFJFHSA-N 0 0 383.900 5.198 50 0 GKAARN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(F)cc2)s1 ZINC000023311285 570236523 /nfs/dbraw/zinc/23/65/23/570236523.db2.gz LYCNFKOIPPCVKH-UHFFFAOYSA-N 0 0 394.298 5.834 50 0 GKAARN O=C(Nc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001034320 570236569 /nfs/dbraw/zinc/23/65/69/570236569.db2.gz WROWLBOWCUTJMF-UHFFFAOYSA-N 0 0 399.416 6.103 50 0 GKAARN Cc1ccc(SCc2csc(Cc3ccc(F)cc3Cl)n2)c(C)c1 ZINC000023309498 570236658 /nfs/dbraw/zinc/23/66/58/570236658.db2.gz FCVIEYYRHZHSBW-UHFFFAOYSA-N 0 0 377.937 6.436 50 0 GKAARN Cc1nn(C(=O)c2cccs2)c(-c2ccccc2)c1Sc1ccccc1 ZINC000001471325 570236719 /nfs/dbraw/zinc/23/67/19/570236719.db2.gz LKOJYKGFQODIFH-UHFFFAOYSA-N 0 0 376.506 5.760 50 0 GKAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)c1Cl ZINC000001037290 570236791 /nfs/dbraw/zinc/23/67/91/570236791.db2.gz IDFFXPGCKMUYEW-UHFFFAOYSA-N 0 0 380.662 5.393 50 0 GKAARN O=C(c1ccc(F)cc1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000001035637 570236896 /nfs/dbraw/zinc/23/68/96/570236896.db2.gz HFXMXVKBGKENEC-FYYLOGMGSA-N 0 0 388.417 5.129 50 0 GKAARN CC1(C)CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1 ZINC000001036877 570236900 /nfs/dbraw/zinc/23/69/00/570236900.db2.gz PRJLGDOZRZRPPQ-UHFFFAOYSA-N 0 0 394.327 5.913 50 0 GKAARN CCc1cccc(CC)c1NC(=O)COc1cc2c(cc1OC)C=CC(C)(C)O2 ZINC000001036749 570236904 /nfs/dbraw/zinc/23/69/04/570236904.db2.gz FBRUGNXURYIHCL-UHFFFAOYSA-N 0 0 395.499 5.022 50 0 GKAARN Cc1onc(-c2ccccc2Cl)c1NC(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000001036364 570236937 /nfs/dbraw/zinc/23/69/37/570236937.db2.gz QJCDNYRIAURCDA-GFCCVEGCSA-N 0 0 399.853 5.816 50 0 GKAARN Cc1ccc(C)c(SCc2csc(Cc3ccc(F)cc3Cl)n2)c1 ZINC000023310138 570236949 /nfs/dbraw/zinc/23/69/49/570236949.db2.gz QUGKXACQYXXZHK-UHFFFAOYSA-N 0 0 377.937 6.436 50 0 GKAARN C[C@@H](NC(=O)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1)C(C)(C)C ZINC000023309832 570237022 /nfs/dbraw/zinc/23/70/22/570237022.db2.gz BOIWEHMDVHFQLF-OAHLLOKOSA-N 0 0 381.907 5.357 50 0 GKAARN CCOC(=O)c1sc(SCc2ccc(Cl)cc2)c2c1CCCC2=O ZINC000001037774 570237175 /nfs/dbraw/zinc/23/71/75/570237175.db2.gz MLVRRFCMLYGHRM-UHFFFAOYSA-N 0 0 380.918 5.390 50 0 GKAARN Cc1csc2sc(-c3ccnc(SCC(=O)c4ccccc4)n3)c(C)c12 ZINC000001038265 570237288 /nfs/dbraw/zinc/23/72/88/570237288.db2.gz SVHOBRGPVLGEEE-UHFFFAOYSA-N 0 0 396.562 6.012 50 0 GKAARN C[C@H](Sc1nnc(NC2CCCCC2)s1)c1nnc(-c2ccccc2)o1 ZINC000020044477 570237305 /nfs/dbraw/zinc/23/73/05/570237305.db2.gz IWVHTMIJDYWODF-LBPRGKRZSA-N 0 0 387.534 5.186 50 0 GKAARN C[C@@H](Sc1nnc(NC2CCCCC2)s1)c1nnc(-c2ccccc2)o1 ZINC000020044474 570237430 /nfs/dbraw/zinc/23/74/30/570237430.db2.gz IWVHTMIJDYWODF-GFCCVEGCSA-N 0 0 387.534 5.186 50 0 GKAARN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000023310469 570237437 /nfs/dbraw/zinc/23/74/37/570237437.db2.gz LKXSBWKPEOCEDQ-UHFFFAOYSA-N 0 0 384.426 5.156 50 0 GKAARN Cc1nc(COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)oc1C ZINC000048333605 570237553 /nfs/dbraw/zinc/23/75/53/570237553.db2.gz ACAOTEZRJNACQA-UHFFFAOYSA-N 0 0 375.346 5.334 50 0 GKAARN O=S(=O)(Nc1ccc(-c2cc3cc(Cl)ccc3o2)cc1)c1ccccc1 ZINC000001042309 570237537 /nfs/dbraw/zinc/23/75/37/570237537.db2.gz ZKYDJUBYPLXEJV-UHFFFAOYSA-N 0 0 383.856 5.554 50 0 GKAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1c(Cl)cccc1Cl ZINC000001042282 570237588 /nfs/dbraw/zinc/23/75/88/570237588.db2.gz RGIGZTSDGTYXTH-QMMMGPOBSA-N 0 0 379.070 5.706 50 0 GKAARN CC(C)(C)C(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1 ZINC000001042762 570237987 /nfs/dbraw/zinc/23/79/87/570237987.db2.gz AIKMFQNRDGNXKZ-UHFFFAOYSA-N 0 0 389.282 6.300 50 0 GKAARN FC(F)(F)c1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 ZINC000001046841 570238242 /nfs/dbraw/zinc/23/82/42/570238242.db2.gz 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/nfs/dbraw/zinc/23/91/93/570239193.db2.gz APXVBISJSMZFBY-UHFFFAOYSA-N 0 0 398.418 5.810 50 0 GKAARN Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3c4ccccc4C[C@@H]3C)nc2C1 ZINC000020102032 570239265 /nfs/dbraw/zinc/23/92/65/570239265.db2.gz OVAVKXRVQKVFDD-QFBILLFUSA-N 0 0 383.495 5.089 50 0 GKAARN CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001061587 570239466 /nfs/dbraw/zinc/23/94/66/570239466.db2.gz ONKHQYJLJFTYFV-UHFFFAOYSA-N 0 0 397.880 5.079 50 0 GKAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1oc2cc(C)ccc2c1C ZINC000001057199 570239491 /nfs/dbraw/zinc/23/94/91/570239491.db2.gz SNINGJOSIYBLSC-UHFFFAOYSA-N 0 0 399.468 5.051 50 0 GKAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc2ccccc2s1 ZINC000006084955 570239556 /nfs/dbraw/zinc/23/95/56/570239556.db2.gz RBFFHZKWHUDCPK-UHFFFAOYSA-N 0 0 396.903 5.064 50 0 GKAARN Cc1ccc(C)c(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000023315547 570239743 /nfs/dbraw/zinc/23/97/43/570239743.db2.gz YPXMRPZTFKUBNK-UHFFFAOYSA-N 0 0 394.392 6.950 50 0 GKAARN O=C(COc1ccc(Oc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000001473183 570239947 /nfs/dbraw/zinc/23/99/47/570239947.db2.gz BZFCINCOBLJZHA-UHFFFAOYSA-N 0 0 387.357 5.515 50 0 GKAARN COc1ccc(CSCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000023316114 570240090 /nfs/dbraw/zinc/24/00/90/570240090.db2.gz DUPVNVBLGFGJAD-UHFFFAOYSA-N 0 0 395.471 6.271 50 0 GKAARN CC(C)(C)C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000048344236 570240230 /nfs/dbraw/zinc/24/02/30/570240230.db2.gz USEBHVCIDXEHAI-LJQANCHMSA-N 0 0 395.478 5.102 50 0 GKAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3cccc(Cl)c3)c2c1 ZINC000001073999 570240548 /nfs/dbraw/zinc/24/05/48/570240548.db2.gz MWOIYPBNGOEVPC-UHFFFAOYSA-N 0 0 387.870 5.189 50 0 GKAARN Fc1ccc(Cn2c(COc3cccc4ccccc43)nc3ccccc32)cc1 ZINC000001072843 570240755 /nfs/dbraw/zinc/24/07/55/570240755.db2.gz MUBQCJSAPLHTJN-UHFFFAOYSA-N 0 0 382.438 5.956 50 0 GKAARN COc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1OC ZINC000005196729 570240909 /nfs/dbraw/zinc/24/09/09/570240909.db2.gz 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/nfs/dbraw/zinc/24/20/29/570242029.db2.gz SRJFZBWJYGMPTC-UHFFFAOYSA-N 0 0 382.432 5.525 50 0 GKAARN O=C(Nc1ccccc1F)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023317945 570242117 /nfs/dbraw/zinc/24/21/17/570242117.db2.gz OOIWDXDAXKMFHV-OAQYLSRUSA-N 0 0 380.850 5.659 50 0 GKAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1 ZINC000001111662 570242601 /nfs/dbraw/zinc/24/26/01/570242601.db2.gz LWBCEEFPZPQCBV-UHFFFAOYSA-N 0 0 376.456 5.199 50 0 GKAARN COc1cccc([C@@H](C)NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 ZINC000001112010 570242616 /nfs/dbraw/zinc/24/26/16/570242616.db2.gz XPUWEZAGHCBCFC-SNVBAGLBSA-N 0 0 380.296 5.708 50 0 GKAARN Clc1ccccc1-c1nc(CSc2nnc3n2CCCCC3)cs1 ZINC000006098387 570243308 /nfs/dbraw/zinc/24/33/08/570243308.db2.gz YABZGXAGTQIUGD-UHFFFAOYSA-N 0 0 376.938 5.074 50 0 GKAARN COc1cc(NC(=O)Nc2cccc(Cl)c2Cl)c(OC)cc1Cl ZINC000001119657 570243408 /nfs/dbraw/zinc/24/34/08/570243408.db2.gz QIDBBAUPFZBYQS-UHFFFAOYSA-N 0 0 375.639 5.308 50 0 GKAARN O=C(CCCc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 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CSc1ccc([C@@H]2N3CCC[C@H]3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000085988100 570264557 /nfs/dbraw/zinc/26/45/57/570264557.db2.gz BQDWFAWHVJKSAB-ZWKOTPCHSA-N 0 0 393.339 5.225 50 0 GKAARN CCc1ccc(-c2csc(NC(=O)c3cc4ccccc4cc3OC)n2)cc1 ZINC000001516419 570264798 /nfs/dbraw/zinc/26/47/98/570264798.db2.gz QDENJOXVHWELRE-UHFFFAOYSA-N 0 0 388.492 5.787 50 0 GKAARN C[C@H](CC(=O)Nc1cc(-c2onc3c2CCCC3)ccc1Cl)CC(C)(C)C ZINC000022628790 570264945 /nfs/dbraw/zinc/26/49/45/570264945.db2.gz RSMVPTPHXNDSMT-CQSZACIVSA-N 0 0 388.939 6.275 50 0 GKAARN CCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 ZINC000100003867 570264952 /nfs/dbraw/zinc/26/49/52/570264952.db2.gz KUGCJLPLXFNRDB-OYRHEFFESA-N 0 0 394.555 7.159 50 0 GKAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cc1 ZINC000012846793 570265122 /nfs/dbraw/zinc/26/51/22/570265122.db2.gz HEXUABOLEVNCPK-UHFFFAOYSA-N 0 0 379.485 5.030 50 0 GKAARN CCN(CCOC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000001588513 570265301 /nfs/dbraw/zinc/26/53/01/570265301.db2.gz LRYRJIONMAKKRK-UHFFFAOYSA-N 0 0 396.274 5.096 50 0 GKAARN CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)cc1 ZINC000023321747 570265421 /nfs/dbraw/zinc/26/54/21/570265421.db2.gz MVLCKZFYOXNMGB-QHCPKHFHSA-N 0 0 375.899 5.690 50 0 GKAARN O=C(Nc1cc(F)ccc1F)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023321804 570265681 /nfs/dbraw/zinc/26/56/81/570265681.db2.gz RAAJEIRYBAJAKV-OAQYLSRUSA-N 0 0 382.385 5.284 50 0 GKAARN Cc1c(C(=O)Nc2c(C(C)C)cccc2C(C)C)cnn1-c1cccc(C)c1 ZINC000012852246 570266546 /nfs/dbraw/zinc/26/65/46/570266546.db2.gz MGBWYTDAAOVVNV-UHFFFAOYSA-N 0 0 375.516 5.988 50 0 GKAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2O)cc1 ZINC000012852864 570266834 /nfs/dbraw/zinc/26/68/34/570266834.db2.gz ZXKGOZAREDYFSP-UHFFFAOYSA-N 0 0 386.451 5.120 50 0 GKAARN Cc1cccc(OCC(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)c1 ZINC000015821161 570266897 /nfs/dbraw/zinc/26/68/97/570266897.db2.gz DYDZLVKKYAFKLL-UHFFFAOYSA-N 0 0 397.478 5.174 50 0 GKAARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000100137230 570266943 /nfs/dbraw/zinc/26/69/43/570266943.db2.gz XLISFAFDRGVGFS-NPMXOYFQSA-N 0 0 390.870 6.562 50 0 GKAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cc(Cl)ccc3F)c12 ZINC000012852958 570266949 /nfs/dbraw/zinc/26/69/49/570266949.db2.gz LJBCBJSWTLYAEV-UHFFFAOYSA-N 0 0 387.823 5.305 50 0 GKAARN CCc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 ZINC000012854639 570267149 /nfs/dbraw/zinc/26/71/49/570267149.db2.gz PNHZFVKCAFRAOW-UHFFFAOYSA-N 0 0 384.888 5.469 50 0 GKAARN C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000013988202 570267399 /nfs/dbraw/zinc/26/73/99/570267399.db2.gz IQEMAABJKNVLGV-WDEREUQCSA-N 0 0 388.747 6.005 50 0 GKAARN O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001752622 570267847 /nfs/dbraw/zinc/26/78/47/570267847.db2.gz YSTJIRIUJXSPJO-UHFFFAOYSA-N 0 0 383.584 6.310 50 0 GKAARN c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000005332092 570267832 /nfs/dbraw/zinc/26/78/32/570267832.db2.gz WYIVZJJEFMSEFS-UHFFFAOYSA-N 0 0 383.494 7.750 50 0 GKAARN CCOc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000023321871 570268317 /nfs/dbraw/zinc/26/83/17/570268317.db2.gz MVVCWLINCYRLPE-XMMPIXPASA-N 0 0 386.495 5.573 50 0 GKAARN COc1ccccc1-c1coc2cc(OCc3ccc(Cl)cc3)ccc2c1=O ZINC000001782011 570268497 /nfs/dbraw/zinc/26/84/97/570268497.db2.gz FFJILNFNSTWXAZ-UHFFFAOYSA-N 0 0 392.838 5.701 50 0 biogenic GKAARN COc1ccc(-c2nc(CSc3ccccc3C(C)C)cs2)cc1OC ZINC000023321943 570268635 /nfs/dbraw/zinc/26/86/35/570268635.db2.gz RQPMIKRKYCBRLF-UHFFFAOYSA-N 0 0 385.554 6.243 50 0 GKAARN Cc1nc2sc(-c3ccccc3)cc2c(Oc2cccc(C(F)(F)F)c2)n1 ZINC000001802725 570268754 /nfs/dbraw/zinc/26/87/54/570268754.db2.gz HDNLHGIGGZMOQC-UHFFFAOYSA-N 0 0 386.398 6.478 50 0 GKAARN CCOc1ccc(C2=C(Cl)C=C(c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000001812401 570268927 /nfs/dbraw/zinc/26/89/27/570268927.db2.gz WZEPXHAAFOYRKH-UHFFFAOYSA-N 0 0 392.857 6.656 50 0 GKAARN CCC(=O)c1ccc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc32)cc1 ZINC000001803400 570268993 /nfs/dbraw/zinc/26/89/93/570268993.db2.gz UFFDEJVHFASNCL-UHFFFAOYSA-N 0 0 382.463 6.299 50 0 GKAARN Cc1ccccc1-n1c(=O)c2c(nc1SCCC(C)C)sc1c2CCCC1 ZINC000001824512 570269228 /nfs/dbraw/zinc/26/92/28/570269228.db2.gz FZTFRZBQMQNMPC-UHFFFAOYSA-N 0 0 398.597 5.773 50 0 GKAARN CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cc(OC)ccc1OC ZINC000001829422 570269254 /nfs/dbraw/zinc/26/92/54/570269254.db2.gz GZZZYZVMRMCPLQ-IBGZPJMESA-N 0 0 379.393 5.081 50 0 GKAARN CCCCC(=O)N1c2ccc(OCC)cc2-c2c(=S)ssc2C1(C)C ZINC000001826676 570269325 /nfs/dbraw/zinc/26/93/25/570269325.db2.gz GIHBSQDVZDYABB-UHFFFAOYSA-N 0 0 393.599 6.377 50 0 GKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccccc1OCCc1ccccc1 ZINC000049546910 570269451 /nfs/dbraw/zinc/26/94/51/570269451.db2.gz ZHHJTNPZGHZYFH-IBGZPJMESA-N 0 0 389.499 5.383 50 0 GKAARN O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000001847814 570269777 /nfs/dbraw/zinc/26/97/77/570269777.db2.gz NFBRFMPKFTVZLE-UHFFFAOYSA-N 0 0 385.246 5.700 50 0 GKAARN O=C(OCc1ccc(Cl)cc1Cl)c1c2ccccc2nc2c1CCCC2 ZINC000003311360 570270077 /nfs/dbraw/zinc/27/00/77/570270077.db2.gz FSVQITHSHJSNCC-UHFFFAOYSA-N 0 0 386.278 5.777 50 0 GKAARN O=C(CCc1ccc(-c2cccc(Cl)c2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000004541871 570270174 /nfs/dbraw/zinc/27/01/74/570270174.db2.gz JVCTYPQZJRMEEZ-UHFFFAOYSA-N 0 0 393.792 6.190 50 0 GKAARN S=C(Nc1ccccc1)Nc1ccc(Br)c(Br)c1 ZINC000000641352 570270185 /nfs/dbraw/zinc/27/01/85/570270185.db2.gz GCLOVZHBJSXWPL-UHFFFAOYSA-N 0 0 386.112 5.021 50 0 GKAARN O=C(COc1c(Cl)cc(Cl)c(Cl)c1Cl)Nc1ccccc1F ZINC000004541772 570270211 /nfs/dbraw/zinc/27/02/11/570270211.db2.gz HBZWNNXXUBVGIK-UHFFFAOYSA-N 0 0 383.033 5.457 50 0 GKAARN CCN1c2ccccc2Oc2ccc(NC(=O)/C=C/c3cccs3)cc2C1=O ZINC000049508330 570270305 /nfs/dbraw/zinc/27/03/05/570270305.db2.gz MFDGGRYOLDJPLH-ZRDIBKRKSA-N 0 0 390.464 5.172 50 0 GKAARN CCOc1ccc(NC(=O)c2sc3ccccc3c2Br)cc1 ZINC000004542605 570270490 /nfs/dbraw/zinc/27/04/90/570270490.db2.gz FDKSUIQJEIWFRC-UHFFFAOYSA-N 0 0 376.275 5.315 50 0 GKAARN Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000004542676 570270521 /nfs/dbraw/zinc/27/05/21/570270521.db2.gz KDUNDRLGWWASQF-UHFFFAOYSA-N 0 0 393.314 5.748 50 0 GKAARN COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000004829028 570270628 /nfs/dbraw/zinc/27/06/28/570270628.db2.gz YNGRQQKJRMLACJ-UHFFFAOYSA-N 0 0 398.628 7.134 50 0 GKAARN Cc1cc(OC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1Cl ZINC000001752619 570270710 /nfs/dbraw/zinc/27/07/10/570270710.db2.gz YHIHOWBJUDTWRM-UHFFFAOYSA-N 0 0 378.177 6.240 50 0 GKAARN C(=C1\C=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1)\c1ccccc1 ZINC000002143317 570270736 /nfs/dbraw/zinc/27/07/36/570270736.db2.gz DUOLVCQVQGYWKL-SZXQPVLSSA-N 0 0 382.506 7.778 50 0 GKAARN c1ccc(C2(c3ccccc3)OCOC2(c2ccccc2)c2ccccc2)cc1 ZINC000003075534 570270749 /nfs/dbraw/zinc/27/07/49/570270749.db2.gz ZSGIDXIIKOCLFN-UHFFFAOYSA-N 0 0 378.471 5.878 50 0 GKAARN Cc1nn(-c2ccccc2F)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020603222 570270675 /nfs/dbraw/zinc/27/06/75/570270675.db2.gz ILLWNKGFBRABPR-UHFFFAOYSA-N 0 0 397.356 5.201 50 0 GKAARN CC[C@@H](C)n1c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603566 570270708 /nfs/dbraw/zinc/27/07/08/570270708.db2.gz UDBAWHNMKIXBDY-GFCCVEGCSA-N 0 0 389.471 5.647 50 0 GKAARN c1ccc(-c2ccccc2[C@H](Nc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000002173172 570270809 /nfs/dbraw/zinc/27/08/09/570270809.db2.gz YZHYTUXLZSVDSB-GDLZYMKVSA-N 0 0 385.510 7.708 50 0 GKAARN Fc1cccc(Cl)c1CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000001948621 570270788 /nfs/dbraw/zinc/27/07/88/570270788.db2.gz ZLRZZEWOCFICTR-UHFFFAOYSA-N 0 0 389.666 6.128 50 0 GKAARN CCCCOC(=O)c1ccc(OC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000002172980 570270830 /nfs/dbraw/zinc/27/08/30/570270830.db2.gz YPTLSBIZQIRHFA-UHFFFAOYSA-N 0 0 381.350 5.273 50 0 GKAARN Cc1cccc(-n2c3nc(-c4ccco4)cc(C(F)F)c3c(=O)[nH]c2=S)c1C ZINC000020605600 570270935 /nfs/dbraw/zinc/27/09/35/570270935.db2.gz CPTMBCDIRFROGP-UHFFFAOYSA-N 0 0 399.422 5.258 50 0 GKAARN CCn1c2nc(-c3cccc4ccccc43)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605445 570270951 /nfs/dbraw/zinc/27/09/51/570270951.db2.gz RPFYKPSMTRZHOV-UHFFFAOYSA-N 0 0 383.423 5.232 50 0 GKAARN COc1ccccc1-c1cc(C(F)(F)F)c2cnn(-c3ccc(F)cc3)c2n1 ZINC000020604740 570270973 /nfs/dbraw/zinc/27/09/73/570270973.db2.gz IZXVCFAYLSQAPP-UHFFFAOYSA-N 0 0 387.336 5.254 50 0 GKAARN CC[C@@H](NC(=O)c1sc(-c2cccnc2)nc1C)C12CC3CC(CC(C3)C1)C2 ZINC000020607097 570271240 /nfs/dbraw/zinc/27/12/40/570271240.db2.gz INFLPQJEIDANMU-YLSHDAJPSA-N 0 0 395.572 5.238 50 0 GKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)s1 ZINC000020608002 570271538 /nfs/dbraw/zinc/27/15/38/570271538.db2.gz OOEVHZSXCXUXAA-UHFFFAOYSA-N 0 0 397.447 5.099 50 0 GKAARN CCOC(=O)c1ccc(/C=C\c2ccc3ccccc3c2)c(Br)c1 ZINC000043763763 570271721 /nfs/dbraw/zinc/27/17/21/570271721.db2.gz QLYOVXMZUZFGOL-NTMALXAHSA-N 0 0 381.269 5.949 50 0 GKAARN Clc1ccc(-c2cs/c(=N/Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000100396441 570271820 /nfs/dbraw/zinc/27/18/20/570271820.db2.gz KYGWERWILNLPLH-ZNTNEXAZSA-N 0 0 376.912 5.960 50 0 GKAARN C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl)CC(C)(C)C ZINC000022632954 570272006 /nfs/dbraw/zinc/27/20/06/570272006.db2.gz GCFDESZIBGOGBM-GAJHUEQPSA-N 0 0 383.963 6.277 50 0 GKAARN c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000100727355 570272022 /nfs/dbraw/zinc/27/20/22/570272022.db2.gz RNLUYTDUBMGOTP-QPPBQGQZSA-N 0 0 382.488 6.144 50 0 GKAARN O=c1oc2ccccc2c(-c2cnn(-c3ccc(Cl)cc3)c2)c1-c1ccccc1 ZINC000071785272 570272032 /nfs/dbraw/zinc/27/20/32/570272032.db2.gz ZUYJFMJELCAJAE-UHFFFAOYSA-N 0 0 398.849 5.966 50 0 GKAARN O=C1c2ccccc2[C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N12 ZINC000100425195 570272266 /nfs/dbraw/zinc/27/22/66/570272266.db2.gz CYYJKHHAWOYZRN-PSLXWICFSA-N 0 0 398.487 5.925 50 0 GKAARN C/C=C1\C=C2C(C)(C)C=C[C@@]2(C)[C@H](O)[C@H]2C[C@@H](C)[C@H](OCc3ccccc3)[C@H]2C1 ZINC000095851247 570272415 /nfs/dbraw/zinc/27/24/15/570272415.db2.gz XGGQUTFLHAILGJ-UFTUWREPSA-N 0 0 392.583 6.084 50 0 GKAARN COc1ccccc1-c1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000020615417 570272425 /nfs/dbraw/zinc/27/24/25/570272425.db2.gz VCEKRIYJIDUMCE-UHFFFAOYSA-N 0 0 391.421 5.911 50 0 GKAARN c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c2CCc2ccccc2-3)cc1 ZINC000002053638 570272710 /nfs/dbraw/zinc/27/27/10/570272710.db2.gz MBDMAWGFVYKXIU-UHFFFAOYSA-N 0 0 382.506 7.939 50 0 GKAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 ZINC000002050775 570272718 /nfs/dbraw/zinc/27/27/18/570272718.db2.gz JKKHIZILDXBGPA-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 ZINC000002058453 570272958 /nfs/dbraw/zinc/27/29/58/570272958.db2.gz PMVBNYAKDAIKFO-UHFFFAOYSA-N 0 0 391.492 5.333 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1 ZINC000002069556 570273066 /nfs/dbraw/zinc/27/30/66/570273066.db2.gz TWBPBEQMQJNJNA-UHFFFAOYSA-N 0 0 383.285 6.119 50 0 GKAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cccc3ccccc32)cc1 ZINC000002068722 570273071 /nfs/dbraw/zinc/27/30/71/570273071.db2.gz CCQSXSFWDPWTDQ-RUZDIDTESA-N 0 0 391.514 6.401 50 0 GKAARN FC(F)(F)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000020626420 570273167 /nfs/dbraw/zinc/27/31/67/570273167.db2.gz UFAXQTGPMHNVOK-SFHVURJKSA-N 0 0 387.430 5.176 50 0 GKAARN CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000002069838 570273414 /nfs/dbraw/zinc/27/34/14/570273414.db2.gz NKPIOCQFJYOUAJ-CQSZACIVSA-N 0 0 390.886 5.886 50 0 GKAARN O=C(Oc1cccc2ccccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002078777 570273454 /nfs/dbraw/zinc/27/34/54/570273454.db2.gz GDYJQHSKNNWLDR-UHFFFAOYSA-N 0 0 392.414 5.776 50 0 GKAARN CCCCCCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccccc1-2 ZINC000002073678 570273457 /nfs/dbraw/zinc/27/34/57/570273457.db2.gz ZJDJTDXCRBZYQG-GOSISDBHSA-N 0 0 398.557 5.776 50 0 GKAARN Cc1cccc(C(=O)Oc2ccc3ccc(OC(=O)c4cccc(C)c4)cc3c2)c1 ZINC000002069639 570273523 /nfs/dbraw/zinc/27/35/23/570273523.db2.gz BCYNHUQZBWRUAL-UHFFFAOYSA-N 0 0 396.442 5.895 50 0 GKAARN Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3cccc(F)c3)c3ccccc32)cc1 ZINC000002081233 570273625 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CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)CC)C2 ZINC000002091329 570274245 /nfs/dbraw/zinc/27/42/45/570274245.db2.gz LOIICXBUZIWBKN-MRXNPFEDSA-N 0 0 399.556 5.718 50 0 GKAARN Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4CC=C[C@H](C)[C@@H]4C3=O)cc2)c1 ZINC000100648059 570274266 /nfs/dbraw/zinc/27/42/66/570274266.db2.gz VEKPZUHOSGVOGN-HYVJGQCMSA-N 0 0 389.495 5.612 50 0 GKAARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4C)ccc3Cl)oc2cc1C ZINC000002093151 570274543 /nfs/dbraw/zinc/27/45/43/570274543.db2.gz RNINMMMFOYZHAP-UHFFFAOYSA-N 0 0 390.870 6.326 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000002096089 570274567 /nfs/dbraw/zinc/27/45/67/570274567.db2.gz RRIJKNJWTRADFQ-UHFFFAOYSA-N 0 0 375.777 6.278 50 0 GKAARN CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccc(F)cc1 ZINC000002093500 570274576 /nfs/dbraw/zinc/27/45/76/570274576.db2.gz CMNGRGANDYXLIY-UHFFFAOYSA-N 0 0 379.475 5.978 50 0 GKAARN Cc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c1C ZINC000002092924 570274607 /nfs/dbraw/zinc/27/46/07/570274607.db2.gz 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CCC(CC)C(=O)N1c2ccc(OC)cc2-c2c(=S)ssc2C1(C)C ZINC000002290403 570281168 /nfs/dbraw/zinc/28/11/68/570281168.db2.gz MPVGDVNLYWXIII-UHFFFAOYSA-N 0 0 393.599 6.233 50 0 GKAARN COc1ccc(CCC(=O)Nc2ccc(-c3ccc4ccccc4n3)cc2)cc1 ZINC000015868505 570281446 /nfs/dbraw/zinc/28/14/46/570281446.db2.gz CJRCYAHXCOSQLP-UHFFFAOYSA-N 0 0 382.463 5.482 50 0 GKAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000101156258 570281484 /nfs/dbraw/zinc/28/14/84/570281484.db2.gz DFMUDBUNLUSUEI-GYCJOSAFSA-N 0 0 386.451 5.917 50 0 GKAARN CN(Cc1ccc(Cl)cc1Cl)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173529 570281501 /nfs/dbraw/zinc/28/15/01/570281501.db2.gz WQXAGDAEHIVAHQ-NRFANRHFSA-N 0 0 397.305 5.519 50 0 GKAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000002296195 570281508 /nfs/dbraw/zinc/28/15/08/570281508.db2.gz QPJPVLQOQCFPLQ-OAQYLSRUSA-N 0 0 394.858 5.128 50 0 GKAARN COc1ccc(C(=O)N2c3cc(C)ccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 ZINC000002295275 570281526 /nfs/dbraw/zinc/28/15/26/570281526.db2.gz NTSYDSJZNYECJG-HHHXNRCGSA-N 0 0 399.534 6.139 50 0 GKAARN CN(Cc1c(Cl)cccc1Cl)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173656 570281535 /nfs/dbraw/zinc/28/15/35/570281535.db2.gz YDAQWDWIUDGSBR-NRFANRHFSA-N 0 0 397.305 5.519 50 0 GKAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1 ZINC000101156255 570281538 /nfs/dbraw/zinc/28/15/38/570281538.db2.gz DFMUDBUNLUSUEI-FYSMJZIKSA-N 0 0 386.451 5.917 50 0 GKAARN O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000002301434 570281572 /nfs/dbraw/zinc/28/15/72/570281572.db2.gz UQPGJBMQDNSHAF-UHFFFAOYSA-N 0 0 378.815 5.166 50 0 GKAARN CCc1cc(=O)oc2cc(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 ZINC000002295765 570281643 /nfs/dbraw/zinc/28/16/43/570281643.db2.gz WXHPTPJFTSCZAW-UHFFFAOYSA-N 0 0 384.431 5.284 50 0 GKAARN CCN(C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000002309977 570282293 /nfs/dbraw/zinc/28/22/93/570282293.db2.gz BJMGKMLPESJJCU-UHFFFAOYSA-N 0 0 381.303 5.752 50 0 GKAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2ccccc2c1 ZINC000015880232 570282398 /nfs/dbraw/zinc/28/23/98/570282398.db2.gz SHWINLWTXUIXBG-UHFFFAOYSA-N 0 0 399.519 5.107 50 0 GKAARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1cccc(C)c1C ZINC000015880486 570282402 /nfs/dbraw/zinc/28/24/02/570282402.db2.gz CDTUTLDYXOAPPG-UHFFFAOYSA-N 0 0 385.463 6.189 50 0 GKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)c2c1 ZINC000015880475 570282436 /nfs/dbraw/zinc/28/24/36/570282436.db2.gz ZIPNFWWEWCDMGY-UHFFFAOYSA-N 0 0 385.463 6.368 50 0 GKAARN C[C@](O)(c1cccc(O[C@@H]2CCCCO2)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000101357404 570282718 /nfs/dbraw/zinc/28/27/18/570282718.db2.gz POFXGBRRNIAACZ-SDHSZQHLSA-N 0 0 389.495 5.027 50 0 GKAARN CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)o1 ZINC000015881480 570282803 /nfs/dbraw/zinc/28/28/03/570282803.db2.gz XGQQURQSPGAADL-UHFFFAOYSA-N 0 0 386.282 5.999 50 0 GKAARN CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)cc1 ZINC000002324764 570282847 /nfs/dbraw/zinc/28/28/47/570282847.db2.gz 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ZINC000002345254 570283521 /nfs/dbraw/zinc/28/35/21/570283521.db2.gz RKJKXAVJWDTMRO-UHFFFAOYSA-N 0 0 391.927 6.188 50 0 GKAARN Cc1c(C)c(C(=O)N[C@H](C)c2ccccc2)n(Cc2ccc(F)c(F)c2)c1C ZINC000006774830 570283628 /nfs/dbraw/zinc/28/36/28/570283628.db2.gz VOIJRWVLEVMXJP-MRXNPFEDSA-N 0 0 382.454 5.231 50 0 GKAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000020896884 570283635 /nfs/dbraw/zinc/28/36/35/570283635.db2.gz HADCFFWUASAMKM-UHFFFAOYSA-N 0 0 397.515 5.797 50 0 GKAARN CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(F)c4)on3)sc2c1 ZINC000020898239 570283697 /nfs/dbraw/zinc/28/36/97/570283697.db2.gz PORIAHRKZPOOQI-UHFFFAOYSA-N 0 0 397.431 5.050 50 0 GKAARN C[C@H]1C[C@H](N(C(=O)c2ccc(Cl)cc2)c2ccccc2)c2ccccc2N1 ZINC000002345557 570283654 /nfs/dbraw/zinc/28/36/54/570283654.db2.gz YUIKJRARMVTDTA-AOMKIAJQSA-N 0 0 376.887 5.932 50 0 GKAARN Cc1ccc([C@H](NC(=O)[C@H](c2ccccc2)C2CCCC2)c2ccccc2)cc1 ZINC000002349430 570283867 /nfs/dbraw/zinc/28/38/67/570283867.db2.gz YANTXYVDNIRXEZ-CLJLJLNGSA-N 0 0 383.535 6.175 50 0 GKAARN Cc1nn2c(ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1-c1ccccc1 ZINC000002354318 570283887 /nfs/dbraw/zinc/28/38/87/570283887.db2.gz RAXCDGDUNCFDRD-KRWDZBQOSA-N 0 0 387.870 5.271 50 0 GKAARN Fc1cccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)c1 ZINC000002351810 570283891 /nfs/dbraw/zinc/28/38/91/570283891.db2.gz CIHRPCVURJWQGF-UHFFFAOYSA-N 0 0 395.890 6.019 50 0 GKAARN O=C(Nc1ccn(Cc2ccccc2F)n1)/C(=C\c1ccccc1)c1ccccc1 ZINC000000652291 570284074 /nfs/dbraw/zinc/28/40/74/570284074.db2.gz RMVMVALNEXDIJD-XLNRJJMWSA-N 0 0 397.453 5.250 50 0 GKAARN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccccc1 ZINC000002360191 570284263 /nfs/dbraw/zinc/28/42/63/570284263.db2.gz XFFRFKWWIVJGTB-UHFFFAOYSA-N 0 0 398.849 6.554 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)Nc1nnc(N(CC(C)C)CC(C)C)s1 ZINC000006792245 570284453 /nfs/dbraw/zinc/28/44/53/570284453.db2.gz PGXQCRJOYCEUTP-UHFFFAOYSA-N 0 0 395.960 5.262 50 0 GKAARN Cc1cc(C)cc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)c1 ZINC000002372422 570284582 /nfs/dbraw/zinc/28/45/82/570284582.db2.gz QCVGEJQXBLRNEG-UHFFFAOYSA-N 0 0 380.582 6.830 50 0 GKAARN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000119594535 570284597 /nfs/dbraw/zinc/28/45/97/570284597.db2.gz SKXAWYQHZOKFHF-LJQANCHMSA-N 0 0 394.559 5.054 50 0 GKAARN COc1ccc2cc(-c3nc4sc5c(c4c(Cl)n3)CCCC5)c(=O)oc2c1 ZINC000006817186 570284926 /nfs/dbraw/zinc/28/49/26/570284926.db2.gz UPZWVVMKNPFTNL-UHFFFAOYSA-N 0 0 398.871 5.006 50 0 GKAARN CCOc1ccc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn32)cc1 ZINC000002375370 570284925 /nfs/dbraw/zinc/28/49/25/570284925.db2.gz BKNOQQHLMDYEKQ-UHFFFAOYSA-N 0 0 378.501 5.216 50 0 GKAARN Cc1cc(C)c(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000002381086 570285050 /nfs/dbraw/zinc/28/50/50/570285050.db2.gz UKASTLWQZSZFJK-UHFFFAOYSA-N 0 0 393.552 5.112 50 0 GKAARN COc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)c(OC)c1OC ZINC000175274744 570285068 /nfs/dbraw/zinc/28/50/68/570285068.db2.gz VALZQKZREONUJP-UHFFFAOYSA-N 0 0 383.469 5.002 50 0 GKAARN CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000002381245 570285100 /nfs/dbraw/zinc/28/51/00/570285100.db2.gz HVYDBQDVZRRCND-LJQANCHMSA-N 0 0 377.528 5.110 50 0 GKAARN Cc1ccc(-c2nc(N=NCc3ccc4ncccc4c3)nc3ccccc32)cc1 ZINC000245266515 570285234 /nfs/dbraw/zinc/28/52/34/570285234.db2.gz JOZSVWUGRYVGJW-UHFFFAOYSA-N 0 0 389.462 5.599 50 0 GKAARN Cc1ccc(-c2nc(N=NCc3cccc4ncccc34)nc3ccccc32)cc1 ZINC000245267503 570285273 /nfs/dbraw/zinc/28/52/73/570285273.db2.gz MAMTVQSYXRREIW-UHFFFAOYSA-N 0 0 389.462 5.599 50 0 GKAARN Clc1ccc(OCc2nn3c(nnc3C3CCCCC3)s2)c(Cl)c1 ZINC000002386783 570285336 /nfs/dbraw/zinc/28/53/36/570285336.db2.gz LWKKAKWVCNQIPT-UHFFFAOYSA-N 0 0 383.304 5.119 50 0 GKAARN CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(C)cc1 ZINC000002388951 570285568 /nfs/dbraw/zinc/28/55/68/570285568.db2.gz PTLVCXQQFITKIL-JOCHJYFZSA-N 0 0 389.476 6.932 50 0 GKAARN Cc1c(Cl)cccc1Nc1nnc(SCc2nccn2C(F)F)s1 ZINC000024718786 570285701 /nfs/dbraw/zinc/28/57/01/570285701.db2.gz 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COc1ccc(-c2nnc(SCc3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000002444359 570287316 /nfs/dbraw/zinc/28/73/16/570287316.db2.gz BYQIJXRHVDOMCD-UHFFFAOYSA-N 0 0 387.508 5.544 50 0 GKAARN C(=C/c1ccccc1)\CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000002446267 570287336 /nfs/dbraw/zinc/28/73/36/570287336.db2.gz WTLYYRSFALIVHM-WEVVVXLNSA-N 0 0 379.510 5.453 50 0 GKAARN COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000023324449 570287647 /nfs/dbraw/zinc/28/76/47/570287647.db2.gz CTIUKYBVBSZNKJ-HSZRJFAPSA-N 0 0 390.458 5.322 50 0 GKAARN COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccco2)cc1 ZINC000002450921 570287640 /nfs/dbraw/zinc/28/76/40/570287640.db2.gz YZRBTKJOCBBBRD-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)C1(c2ccccc2)CCCC1 ZINC000000667009 570288090 /nfs/dbraw/zinc/28/80/90/570288090.db2.gz JYOWAZXIVKYWEX-UHFFFAOYSA-N 0 0 382.463 5.945 50 0 GKAARN CC[C@H](C)c1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 ZINC000012901206 570288137 /nfs/dbraw/zinc/28/81/37/570288137.db2.gz 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O=C(c1cccc(Cl)c1Cl)N1CCC(c2nc3ccccc3o2)CC1 ZINC000021915509 570299237 /nfs/dbraw/zinc/29/92/37/570299237.db2.gz RHFBDGSDHNTUHK-UHFFFAOYSA-N 0 0 375.255 5.154 50 0 GKAARN CN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021916371 570299293 /nfs/dbraw/zinc/29/92/93/570299293.db2.gz XYRLNGMFNRZWIL-UHFFFAOYSA-N 0 0 387.870 5.222 50 0 GKAARN COc1ccccc1COc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000034680331 570299538 /nfs/dbraw/zinc/29/95/38/570299538.db2.gz JIGJOHAWWCPZFY-UHFFFAOYSA-N 0 0 376.387 5.130 50 0 GKAARN O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccccc1F)c1ccccc1N2 ZINC000104232132 570299740 /nfs/dbraw/zinc/29/97/40/570299740.db2.gz RFVLLDZOCKEPFG-XMMPIXPASA-N 0 0 388.442 6.249 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935200 570299936 /nfs/dbraw/zinc/29/99/36/570299936.db2.gz ULFQLLAIFMHNEF-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN CCCCN(CC(F)(F)F)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000060205880 570300404 /nfs/dbraw/zinc/30/04/04/570300404.db2.gz 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ZINC000022041150 570303211 /nfs/dbraw/zinc/30/32/11/570303211.db2.gz XCPAGVYBOWWMRE-UHFFFAOYSA-N 0 0 396.903 5.305 50 0 GKAARN O=C(Nc1cccc2ccc(-c3cnc4ccccc4c3)nc21)c1ccccc1 ZINC000000717363 570303348 /nfs/dbraw/zinc/30/33/48/570303348.db2.gz IKXGMFMSGIYWAG-UHFFFAOYSA-N 0 0 375.431 5.702 50 0 GKAARN Cc1nc2sc3c(c2c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1)CCC3 ZINC000000719367 570303447 /nfs/dbraw/zinc/30/34/47/570303447.db2.gz FYDWXKDJKDNJCQ-UHFFFAOYSA-N 0 0 383.826 5.904 50 0 GKAARN COc1cc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)ccc1OC(C)C ZINC000034712345 570303462 /nfs/dbraw/zinc/30/34/62/570303462.db2.gz SJADDHKIQFLRNI-UHFFFAOYSA-N 0 0 382.485 5.167 50 0 GKAARN Cc1ccc(C)c(COc2ccc(-c3nc(C(=O)NCC(C)C)cs3)cc2)c1 ZINC000034711810 570303496 /nfs/dbraw/zinc/30/34/96/570303496.db2.gz JLJDMKHJBSCXCB-UHFFFAOYSA-N 0 0 394.540 5.392 50 0 GKAARN CCCNC(=O)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 ZINC000034711840 570303514 /nfs/dbraw/zinc/30/35/14/570303514.db2.gz WEFIVINAZRGKTP-UHFFFAOYSA-N 0 0 386.904 5.182 50 0 GKAARN O=C(Cc1csc(-c2cccs2)n1)N(Cc1ccccc1)c1ccccn1 ZINC000010814288 570303621 /nfs/dbraw/zinc/30/36/21/570303621.db2.gz BNMRPJOAEQETQX-UHFFFAOYSA-N 0 0 391.521 5.043 50 0 GKAARN CC(C)NC(=O)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712829 570303807 /nfs/dbraw/zinc/30/38/07/570303807.db2.gz FHVSPQNSWBXOHR-UHFFFAOYSA-N 0 0 386.904 5.181 50 0 GKAARN COc1cccc(NC(=O)c2csc(-c3cccc(OCC(C)C)c3)n2)c1 ZINC000034713057 570303809 /nfs/dbraw/zinc/30/38/09/570303809.db2.gz GFBIJMFLLGVVIL-UHFFFAOYSA-N 0 0 382.485 5.106 50 0 GKAARN CC(C)NC(=O)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1 ZINC000034713095 570303814 /nfs/dbraw/zinc/30/38/14/570303814.db2.gz QRQCSRUARWZRKE-UHFFFAOYSA-N 0 0 386.904 5.181 50 0 GKAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(-c4ccccc4)cc3)c12 ZINC000002811768 570304153 /nfs/dbraw/zinc/30/41/53/570304153.db2.gz XCDLPIYIQGBFPV-UHFFFAOYSA-N 0 0 398.458 5.593 50 0 GKAARN Cc1cc2nc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)oc2c(C)c1 ZINC000002811339 570304160 /nfs/dbraw/zinc/30/41/60/570304160.db2.gz 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O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1cccc(Cl)c1 ZINC000002844429 570307551 /nfs/dbraw/zinc/30/75/51/570307551.db2.gz OVNFAOSMWLNZKF-UHFFFAOYSA-N 0 0 396.324 5.390 50 0 GKAARN Cc1ccc(SCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 ZINC000002846244 570307639 /nfs/dbraw/zinc/30/76/39/570307639.db2.gz QKMXEWQYLCMSPT-UHFFFAOYSA-N 0 0 391.452 5.036 50 0 GKAARN Cc1cc(Br)cc(C)c1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002845825 570307793 /nfs/dbraw/zinc/30/77/93/570307793.db2.gz OBPHCHHESRMXMS-UHFFFAOYSA-N 0 0 394.137 5.014 50 0 GKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1c(F)cccc1Cl ZINC000021772947 570307908 /nfs/dbraw/zinc/30/79/08/570307908.db2.gz STQNGXQUYBWWLH-UHFFFAOYSA-N 0 0 381.259 5.432 50 0 GKAARN O=C(Nc1cccc(Cl)c1Cl)c1sc2cccc(Cl)c2c1Cl ZINC000004832778 570308078 /nfs/dbraw/zinc/30/80/78/570308078.db2.gz YKKREVNPSOQFBW-UHFFFAOYSA-N 0 0 391.106 6.767 50 0 GKAARN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000002849298 570308320 /nfs/dbraw/zinc/30/83/20/570308320.db2.gz GCNCEGAAUPGRFZ-LJQANCHMSA-N 0 0 384.248 5.108 50 0 GKAARN COc1ccccc1-c1c(C)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N ZINC000002849443 570308391 /nfs/dbraw/zinc/30/83/91/570308391.db2.gz BWWYMSDIFZHJHI-UHFFFAOYSA-N 0 0 382.678 5.399 50 0 GKAARN O=C(Nc1c(F)cccc1F)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000002851096 570308732 /nfs/dbraw/zinc/30/87/32/570308732.db2.gz XIOZFDPCFBALJA-UHFFFAOYSA-N 0 0 389.854 6.163 50 0 GKAARN CCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c21 ZINC000000728962 570308958 /nfs/dbraw/zinc/30/89/58/570308958.db2.gz RGXVYXJYRRZNBU-UHFFFAOYSA-N 0 0 391.521 5.858 50 0 GKAARN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=S)NC1CCCC1 ZINC000002853079 570309127 /nfs/dbraw/zinc/30/91/27/570309127.db2.gz AYYVQDRLKVXNLL-UHFFFAOYSA-N 0 0 397.375 5.084 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000002853286 570309440 /nfs/dbraw/zinc/30/94/40/570309440.db2.gz QZNOOAJSVNHUKV-UHFFFAOYSA-N 0 0 382.356 6.297 50 0 GKAARN COc1ccc(CSCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000002853332 570309553 /nfs/dbraw/zinc/30/95/53/570309553.db2.gz 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/nfs/dbraw/zinc/31/01/52/570310152.db2.gz VSEDDWPWYTUSQG-UHFFFAOYSA-N 0 0 392.955 5.505 50 0 GKAARN CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004834559 570310333 /nfs/dbraw/zinc/31/03/33/570310333.db2.gz VRWOGABCCOGONY-AZGAKELHSA-N 0 0 398.506 6.108 50 0 GKAARN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(Cl)cc1 ZINC000004834977 570310341 /nfs/dbraw/zinc/31/03/41/570310341.db2.gz JIWPQFJDZZUOJS-UZYVYHOESA-N 0 0 377.296 5.110 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000002857686 570310440 /nfs/dbraw/zinc/31/04/40/570310440.db2.gz WQDHVEXEMSKMNU-UHFFFAOYSA-N 0 0 396.512 5.216 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=S)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000002858918 570310714 /nfs/dbraw/zinc/31/07/14/570310714.db2.gz ZIFXTJHJJHKPQK-GFCCVEGCSA-N 0 0 378.925 5.680 50 0 GKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc2ccccc21 ZINC000000732521 570310699 /nfs/dbraw/zinc/31/06/99/570310699.db2.gz RPGJKJJAWGBVKH-UHFFFAOYSA-N 0 0 380.806 5.848 50 0 GKAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000732302 570310726 /nfs/dbraw/zinc/31/07/26/570310726.db2.gz VVDCBBPQSGZNFR-UHFFFAOYSA-N 0 0 384.884 5.054 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000002860110 570311007 /nfs/dbraw/zinc/31/10/07/570311007.db2.gz YJKGERDQCCGGMS-UHFFFAOYSA-N 0 0 388.492 6.004 50 0 GKAARN CC(=O)Nc1ccc(-c2csc(Nc3ccccc3Br)n2)cc1 ZINC000002859516 570311063 /nfs/dbraw/zinc/31/10/63/570311063.db2.gz LLSNUKBOBMVBCD-UHFFFAOYSA-N 0 0 388.290 5.275 50 0 GKAARN C[C@H]1CCc2c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)csc2C1 ZINC000002859494 570311101 /nfs/dbraw/zinc/31/11/01/570311101.db2.gz DCOGVUSQJBVDPD-LBPRGKRZSA-N 0 0 386.517 5.312 50 0 GKAARN Cc1oc(-c2ccc(F)cc2)cc1-c1nn2c(Cc3ccccc3)nnc2s1 ZINC000002861149 570311318 /nfs/dbraw/zinc/31/13/18/570311318.db2.gz CLHBKTJNSCXDBH-UHFFFAOYSA-N 0 0 390.443 5.151 50 0 GKAARN CC(=O)c1ccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)cc1 ZINC000002862100 570311649 /nfs/dbraw/zinc/31/16/49/570311649.db2.gz 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/nfs/dbraw/zinc/32/21/93/570322193.db2.gz LCBNSUYQWHCTFW-KRWDZBQOSA-N 0 0 382.916 5.416 50 0 GKAARN O=C(Nc1ccc(-c2nc3cccnc3o2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002982231 570322429 /nfs/dbraw/zinc/32/24/29/570322429.db2.gz BJIFZWQFOYZSOG-UHFFFAOYSA-N 0 0 391.430 5.809 50 0 GKAARN Cc1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 ZINC000002982772 570322470 /nfs/dbraw/zinc/32/24/70/570322470.db2.gz GKFNHDBVWFEZCJ-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000002982471 570322544 /nfs/dbraw/zinc/32/25/44/570322544.db2.gz NTXHAXRUHBOZCX-UHFFFAOYSA-N 0 0 398.249 5.757 50 0 GKAARN COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl ZINC000002983237 570322709 /nfs/dbraw/zinc/32/27/09/570322709.db2.gz GTQIKMLGSINXHL-UHFFFAOYSA-N 0 0 388.678 5.453 50 0 GKAARN COc1cccc(OC)c1OCCCCOc1c(Cl)cc(C)cc1Cl ZINC000002983661 570322763 /nfs/dbraw/zinc/32/27/63/570322763.db2.gz YDNQAYWXYGLDRM-UHFFFAOYSA-N 0 0 385.287 5.557 50 0 GKAARN COc1cc(C)ccc1OCCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002984081 570322780 /nfs/dbraw/zinc/32/27/80/570322780.db2.gz JOQXWMJYVMVJDL-UHFFFAOYSA-N 0 0 375.679 5.812 50 0 GKAARN COc1cc(C)ccc1OCCOCCOc1cccc(Oc2ccccc2)c1 ZINC000002983963 570322844 /nfs/dbraw/zinc/32/28/44/570322844.db2.gz KQMJHFHIVQANEU-UHFFFAOYSA-N 0 0 394.467 5.270 50 0 GKAARN CCOc1ccccc1OCCCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000002984044 570322849 /nfs/dbraw/zinc/32/28/49/570322849.db2.gz YARLCXSGGZWHHL-UHFFFAOYSA-N 0 0 376.452 5.164 50 0 GKAARN CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000002984477 570322959 /nfs/dbraw/zinc/32/29/59/570322959.db2.gz ORDAZWKGFCMULW-UHFFFAOYSA-N 0 0 386.451 5.844 50 0 GKAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002985511 570322979 /nfs/dbraw/zinc/32/29/79/570322979.db2.gz NEVFYPWPTLPDCT-UHFFFAOYSA-N 0 0 397.327 5.299 50 0 GKAARN O=C(NCc1ccc(Oc2ccccc2)cc1)c1sc2ccccc2c1Cl ZINC000023435413 570323123 /nfs/dbraw/zinc/32/31/23/570323123.db2.gz KILAPQRLNOEEBX-UHFFFAOYSA-N 0 0 393.895 6.277 50 0 GKAARN CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023427562 570323134 /nfs/dbraw/zinc/32/31/34/570323134.db2.gz CQPUQVOUPJKNSC-UHFFFAOYSA-N 0 0 397.478 5.072 50 0 GKAARN Fc1ccc(F)c(-c2nc3ccc(-c4ccc(C(F)(F)F)cc4)cc3o2)c1 ZINC000023437024 570323162 /nfs/dbraw/zinc/32/31/62/570323162.db2.gz AOFOWBLHLGQNDJ-UHFFFAOYSA-N 0 0 375.296 6.459 50 0 GKAARN CC[C@H](COC)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023436992 570323289 /nfs/dbraw/zinc/32/32/89/570323289.db2.gz DLEUMAGMRJWSIY-HXUWFJFHSA-N 0 0 399.494 5.052 50 0 GKAARN CCOc1ccccc1OCCCOc1cc(C)c(C)cc1Br ZINC000002986972 570323361 /nfs/dbraw/zinc/32/33/61/570323361.db2.gz XQUOJSASVWRYGZ-UHFFFAOYSA-N 0 0 379.294 5.313 50 0 GKAARN COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002988260 570323680 /nfs/dbraw/zinc/32/36/80/570323680.db2.gz NOIPDHYMTLPENM-WEVVVXLNSA-N 0 0 396.339 5.065 50 0 GKAARN CCCOCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023432900 570323684 /nfs/dbraw/zinc/32/36/84/570323684.db2.gz ICLRPDXTDGVKCF-UHFFFAOYSA-N 0 0 399.494 5.053 50 0 GKAARN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3C)c3c(C)cccc32)cc1 ZINC000002992428 570323968 /nfs/dbraw/zinc/32/39/68/570323968.db2.gz WKQCNSAZNDTQPH-GBXCKJPGSA-N 0 0 384.523 6.204 50 0 GKAARN COc1cc(C=O)ccc1OCCCCOc1cccc(Oc2ccccc2)c1 ZINC000002991013 570323977 /nfs/dbraw/zinc/32/39/77/570323977.db2.gz SRZOYFRGJDZLSU-UHFFFAOYSA-N 0 0 392.451 5.538 50 0 GKAARN COc1cccc(O)c1-c1nc2ccc(-c3cc(C)c(OC)c(C)c3)cc2o1 ZINC000023442909 570324013 /nfs/dbraw/zinc/32/40/13/570324013.db2.gz YINPSMCAYUDQJW-UHFFFAOYSA-N 0 0 375.424 5.501 50 0 biogenic GKAARN C[C@@H](NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)c1ccccc1 ZINC000023442206 570324026 /nfs/dbraw/zinc/32/40/26/570324026.db2.gz HVLSERDCJOMDJY-GOSISDBHSA-N 0 0 399.515 6.698 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000002991802 570324046 /nfs/dbraw/zinc/32/40/46/570324046.db2.gz LPLQUCXWGDEGCL-UHFFFAOYSA-N 0 0 397.478 5.953 50 0 GKAARN COc1ccc(F)cc1-c1nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2o1 ZINC000023444411 570324106 /nfs/dbraw/zinc/32/41/06/570324106.db2.gz AIMOHPDORNZWPN-UHFFFAOYSA-N 0 0 387.332 6.328 50 0 GKAARN Cc1ccc(CSCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000002994659 570324253 /nfs/dbraw/zinc/32/42/53/570324253.db2.gz CRRFQQASIGBWRL-VQHVLOKHSA-N 0 0 380.340 5.365 50 0 GKAARN Cc1cc(Cl)cc(Cl)c1OCCCCn1c2ccccc2c2ccccc21 ZINC000002993163 570324354 /nfs/dbraw/zinc/32/43/54/570324354.db2.gz JFAQOJBKSGKEQI-UHFFFAOYSA-N 0 0 398.333 7.269 50 0 GKAARN C[C@@H](NC(=O)c1ccc(-c2ccc(F)c(F)c2)s1)c1cccc2ccccc21 ZINC000023446641 570324425 /nfs/dbraw/zinc/32/44/25/570324425.db2.gz FYOCRQHOVWOEBW-CQSZACIVSA-N 0 0 393.458 6.338 50 0 GKAARN Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@H]3CCc4ccccc43)c2cc1C ZINC000023458755 570324478 /nfs/dbraw/zinc/32/44/78/570324478.db2.gz UXIJQIZOIDPZET-NRFANRHFSA-N 0 0 398.531 5.997 50 0 GKAARN COc1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1 ZINC000023448124 570324507 /nfs/dbraw/zinc/32/45/07/570324507.db2.gz PIFQXHQQVKPOIZ-UHFFFAOYSA-N 0 0 391.423 5.196 50 0 GKAARN COc1cc(C)ccc1OCCCCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000002994668 570324578 /nfs/dbraw/zinc/32/45/78/570324578.db2.gz KJNFPIXJZDVEEB-UHFFFAOYSA-N 0 0 390.479 5.473 50 0 GKAARN O=c1c2ccccc2nc(-c2cccc3ccccc32)n1Cc1cccc(Cl)c1 ZINC000023455328 570324712 /nfs/dbraw/zinc/32/47/12/570324712.db2.gz OAGLETYZIFHJPI-UHFFFAOYSA-N 0 0 396.877 5.918 50 0 GKAARN O=C(Nc1cc(C(F)(F)F)ccc1OC1CCCCC1)c1ccc(Cl)cc1 ZINC000002997850 570324842 /nfs/dbraw/zinc/32/48/42/570324842.db2.gz KOFXJOZXGQWVJA-UHFFFAOYSA-N 0 0 397.824 6.323 50 0 GKAARN C[C@]1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(Cl)Cl ZINC000002998160 570324866 /nfs/dbraw/zinc/32/48/66/570324866.db2.gz FJNFZOHIRVTQHO-SNVBAGLBSA-N 0 0 380.115 5.247 50 0 GKAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c(Br)cccc12 ZINC000002999287 570325129 /nfs/dbraw/zinc/32/51/29/570325129.db2.gz GWPBZRWCRWAKKO-UHFFFAOYSA-N 0 0 378.628 5.647 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000002998802 570325185 /nfs/dbraw/zinc/32/51/85/570325185.db2.gz MAIXCWDKEISKQJ-UHFFFAOYSA-N 0 0 390.664 5.923 50 0 GKAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1(c2ccccc2)CCCC1 ZINC000002999616 570325514 /nfs/dbraw/zinc/32/55/14/570325514.db2.gz SAKVXDFXFJNELM-UHFFFAOYSA-N 0 0 377.484 5.569 50 0 GKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccccc21 ZINC000001636910 570325666 /nfs/dbraw/zinc/32/56/66/570325666.db2.gz UIOJLBOEUJVSGO-UHFFFAOYSA-N 0 0 387.291 6.828 50 0 GKAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N[C@H](C)c1ccccc1 ZINC000072328542 570325832 /nfs/dbraw/zinc/32/58/32/570325832.db2.gz LPQHTKCVKDUYHI-OAHLLOKOSA-N 0 0 381.907 5.543 50 0 GKAARN Cc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1C ZINC000003002812 570325871 /nfs/dbraw/zinc/32/58/71/570325871.db2.gz VPIOHQWJRLXXKC-UHFFFAOYSA-N 0 0 391.536 5.405 50 0 GKAARN Cc1ccc(NC(Nc2ccc(C)cc2)=C2N=C(c3ccccc3)OC2=O)cc1 ZINC000003012958 570326128 /nfs/dbraw/zinc/32/61/28/570326128.db2.gz XBDUBMRESJGVJI-UHFFFAOYSA-N 0 0 383.451 5.000 50 0 GKAARN C[C@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)C3CCCC3)cc2)C1=O ZINC000034734117 570326151 /nfs/dbraw/zinc/32/61/51/570326151.db2.gz ONSDBVWQBOIPNR-GOSISDBHSA-N 0 0 391.515 5.209 50 0 GKAARN Oc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(O)cc2O3)c(O)c1 ZINC000003009588 570326152 /nfs/dbraw/zinc/32/61/52/570326152.db2.gz OHUKSGHHFLUFPB-UPVQGACJSA-N 0 0 380.484 5.483 50 0 GKAARN Cc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1Cl ZINC000003016905 570326198 /nfs/dbraw/zinc/32/61/98/570326198.db2.gz OARFENXJGHGLGJ-UHFFFAOYSA-N 0 0 384.726 5.283 50 0 GKAARN O=C(c1cnc(Nc2ccccc2Cl)s1)c1ccc(-c2ccccc2)cc1 ZINC000003029470 570326432 /nfs/dbraw/zinc/32/64/32/570326432.db2.gz JAEVAIMHUIWXPA-UHFFFAOYSA-N 0 0 390.895 6.438 50 0 GKAARN C[C@@H](c1ccccc1)N1CCCN(c2ccccc2NC(=O)CC(C)(C)C)C1=O ZINC000034735104 570326434 /nfs/dbraw/zinc/32/64/34/570326434.db2.gz DLAMMHSYLZVJMQ-SFHVURJKSA-N 0 0 393.531 5.455 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(Cl)ccc1Cl ZINC000003030087 570326624 /nfs/dbraw/zinc/32/66/24/570326624.db2.gz NTMSSWDMOMVZGW-UHFFFAOYSA-N 0 0 399.302 6.522 50 0 GKAARN Cc1cc(C)c(C(=O)c2sc(Nc3cccc(Cl)c3C)nc2N)cc1C ZINC000032947477 570326633 /nfs/dbraw/zinc/32/66/33/570326633.db2.gz UPEZYDUAROBDET-UHFFFAOYSA-N 0 0 385.920 5.587 50 0 GKAARN Clc1nc(NC2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000003039796 570326773 /nfs/dbraw/zinc/32/67/73/570326773.db2.gz QMYUQZVOWLVNIM-UHFFFAOYSA-N 0 0 379.895 5.739 50 0 GKAARN Cc1cccc2oc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4)c3)nc21 ZINC000003043824 570326867 /nfs/dbraw/zinc/32/68/67/570326867.db2.gz BKMGFTQOTBMOET-UHFFFAOYSA-N 0 0 376.843 6.017 50 0 GKAARN COC(=O)c1c2c(sc1NC(=S)NC1CCCCCCC1)C[C@H](C)CC2 ZINC000006201431 570327471 /nfs/dbraw/zinc/32/74/71/570327471.db2.gz NQUGOYNDRXXRBQ-CYBMUJFWSA-N 0 0 394.606 5.059 50 0 GKAARN COc1cc(N[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1NC(C)=O ZINC000129999118 570327475 /nfs/dbraw/zinc/32/74/75/570327475.db2.gz DOVLKEYROGQOLN-CYBMUJFWSA-N 0 0 399.878 5.444 50 0 GKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cccc(Cl)c2C)c1 ZINC000003084275 570327965 /nfs/dbraw/zinc/32/79/65/570327965.db2.gz AAMXBAVOSQTODI-NRFANRHFSA-N 0 0 389.926 6.210 50 0 GKAARN O=C(CCC1CCCC1)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000011690095 570328088 /nfs/dbraw/zinc/32/80/88/570328088.db2.gz TUUZHMVAHJIMOF-UHFFFAOYSA-N 0 0 383.344 5.950 50 0 GKAARN CC(C)c1ccc(Cc2cnc(NC(=O)[C@@H]3COc4ccccc4C3)s2)cc1 ZINC000011689963 570328101 /nfs/dbraw/zinc/32/81/01/570328101.db2.gz IYZLSUUTLWJADD-IBGZPJMESA-N 0 0 392.524 5.047 50 0 GKAARN Cn1cc(CCCC(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)c2ccccc21 ZINC000524729636 570328182 /nfs/dbraw/zinc/32/81/82/570328182.db2.gz BGOWGRZYXCRCKL-JOCHJYFZSA-N 0 0 385.511 5.176 50 0 biogenic GKAARN Cc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)c2ccccc2)c1 ZINC000034735772 570328298 /nfs/dbraw/zinc/32/82/98/570328298.db2.gz RUHYCHSFCRDJOD-UHFFFAOYSA-N 0 0 399.494 5.080 50 0 GKAARN C[C@]12CCC(=O)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C ZINC000001682223 570328311 /nfs/dbraw/zinc/32/83/11/570328311.db2.gz UWBPSDCYSHEQGU-DOLSIMFXSA-N 0 0 398.631 6.420 50 0 biogenic GKAARN Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c(NC(=O)C(C)C)c1 ZINC000034736987 570328642 /nfs/dbraw/zinc/32/86/42/570328642.db2.gz MMHQBEYAGJUJBU-UHFFFAOYSA-N 0 0 393.531 5.039 50 0 GKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000003119441 570328949 /nfs/dbraw/zinc/32/89/49/570328949.db2.gz YCRZBQWORITWBY-UHFFFAOYSA-N 0 0 379.887 6.682 50 0 GKAARN CC(C)(C)c1ccc(-c2nc(SCc3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000003119840 570328996 /nfs/dbraw/zinc/32/89/96/570328996.db2.gz VTLGDZLVICHRIE-UHFFFAOYSA-N 0 0 392.355 6.368 50 0 GKAARN CCCOP(=O)(OCCC)C(NC(=O)c1ccccc1)=C(Cl)Cl ZINC000003121623 570329321 /nfs/dbraw/zinc/32/93/21/570329321.db2.gz SDVGWMFJRNRAAL-UHFFFAOYSA-N 0 0 380.208 5.067 50 0 GKAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000524735445 570329614 /nfs/dbraw/zinc/32/96/14/570329614.db2.gz CQJCWQVNWQIDDS-SFTDATJTSA-N 0 0 389.524 5.204 50 0 GKAARN O=C(C[C@H](SC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000003128043 570329692 /nfs/dbraw/zinc/32/96/92/570329692.db2.gz PKYVBEROOUEKKB-NRFANRHFSA-N 0 0 380.896 6.228 50 0 GKAARN OC(CSc1c(Cl)cccc1Cl)(c1ccccc1)c1ccccc1 ZINC000003128212 570329693 /nfs/dbraw/zinc/32/96/93/570329693.db2.gz BXDMHWNXDHGSKW-UHFFFAOYSA-N 0 0 375.320 6.022 50 0 GKAARN FC(F)(F)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc(C(F)(F)F)c1 ZINC000003126619 570329695 /nfs/dbraw/zinc/32/96/95/570329695.db2.gz WQQPSYXNYPPOIA-UHFFFAOYSA-N 0 0 392.686 6.095 50 0 GKAARN CSc1nn(-c2ccccc2)cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003127646 570329697 /nfs/dbraw/zinc/32/96/97/570329697.db2.gz MDOSLQZKYYLSKW-UHFFFAOYSA-N 0 0 383.929 6.038 50 0 GKAARN COc1ccc(C2=N[C@H](c3ccc(OC)cc3)c3c(ccc4ccccc43)N2)cc1 ZINC000003176450 570330198 /nfs/dbraw/zinc/33/01/98/570330198.db2.gz WNLUAHVTMWYREJ-RUZDIDTESA-N 0 0 394.474 5.628 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)c1sc(Nc2cccc(C)c2C)nc1N ZINC000032947835 570330259 /nfs/dbraw/zinc/33/02/59/570330259.db2.gz HUXVSRPQVCNUFP-UHFFFAOYSA-N 0 0 376.485 5.106 50 0 GKAARN CSc1cccc(Nc2nc(N)c(C(=O)c3ccc(Cl)cc3)s2)c1 ZINC000032947771 570330292 /nfs/dbraw/zinc/33/02/92/570330292.db2.gz UQPCISXBHQPFSS-UHFFFAOYSA-N 0 0 375.906 5.075 50 0 GKAARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000010865087 570330297 /nfs/dbraw/zinc/33/02/97/570330297.db2.gz DOBUHTXVODIQEH-OALUTQOASA-N 0 0 388.433 5.356 50 0 GKAARN CCc1cccc(CC)c1NC(=O)[C@H](Sc1ccccn1)c1ccccc1 ZINC000003135215 570330318 /nfs/dbraw/zinc/33/03/18/570330318.db2.gz XJZXUHXEIWQQMA-JOCHJYFZSA-N 0 0 376.525 5.679 50 0 GKAARN Cn1nc(-c2ccccc2)c(COC(=O)c2ccc(Cl)c(Cl)c2)c1Cl ZINC000003135092 570330322 /nfs/dbraw/zinc/33/03/22/570330322.db2.gz ZOPJTKBNKUPBSP-UHFFFAOYSA-N 0 0 395.673 5.404 50 0 GKAARN O=c1c2ccccc2oc(-c2ccccc2)c1Cc1ccccc1Br ZINC000003138114 570330372 /nfs/dbraw/zinc/33/03/72/570330372.db2.gz VUZCMVFPHKJSJH-UHFFFAOYSA-N 0 0 391.264 5.813 50 0 GKAARN Oc1ccc(C(=C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(O)cc2)cc1 ZINC000113047150 570330589 /nfs/dbraw/zinc/33/05/89/570330589.db2.gz QQUZHNPGWNIYMK-UHFFFAOYSA-N 0 0 396.442 5.516 50 0 GKAARN COc1ccc2c(c1)nc(S[C@@H](C)c1nc(C)no1)cc2-c1ccccc1 ZINC000022830566 570330608 /nfs/dbraw/zinc/33/06/08/570330608.db2.gz ORVROZLSKCFOBM-ZDUSSCGKSA-N 0 0 377.469 5.455 50 0 GKAARN CCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccccc3C)no2)cc1Cl ZINC000575607707 570330891 /nfs/dbraw/zinc/33/08/91/570330891.db2.gz NVRMCRWOBGYCBT-UHFFFAOYSA-N 0 0 380.835 5.154 50 0 GKAARN CCCCCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1)c2=O ZINC000003191998 570331928 /nfs/dbraw/zinc/33/19/28/570331928.db2.gz FZLVWVJHLQIUBO-UHFFFAOYSA-N 0 0 392.373 6.173 50 0 GKAARN CSc1cccc(Nc2nc(N)c(C(=O)c3cccc(Cl)c3)s2)c1 ZINC000032948115 570331927 /nfs/dbraw/zinc/33/19/27/570331927.db2.gz YNSKAWSTICWDMU-UHFFFAOYSA-N 0 0 375.906 5.075 50 0 GKAARN O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(-c3cccc(C(F)(F)F)c3)c2N1 ZINC000035324446 570332251 /nfs/dbraw/zinc/33/22/51/570332251.db2.gz IBJYJIHXDZUWGP-HNNXBMFYSA-N 0 0 391.780 5.019 50 0 GKAARN CCCCCCNC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831680 570335573 /nfs/dbraw/zinc/33/55/73/570335573.db2.gz RNUNAFIATKPWIV-UHFFFAOYSA-N 0 0 398.510 5.373 50 0 GKAARN O=C(CSc1nc2ccccc2o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003291642 570336228 /nfs/dbraw/zinc/33/62/28/570336228.db2.gz FJGLXZIFNKOKQJ-UHFFFAOYSA-N 0 0 387.675 5.519 50 0 GKAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794235 570336914 /nfs/dbraw/zinc/33/69/14/570336914.db2.gz VTBVJHCRJWESPQ-UHFFFAOYSA-N 0 0 379.769 5.310 50 0 GKAARN O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000034795059 570336955 /nfs/dbraw/zinc/33/69/55/570336955.db2.gz AJGBDMGJBKCQJO-UHFFFAOYSA-N 0 0 389.352 5.364 50 0 GKAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034794700 570337037 /nfs/dbraw/zinc/33/70/37/570337037.db2.gz GLDRFSZMGUCLDJ-SFHVURJKSA-N 0 0 381.907 5.815 50 0 GKAARN CC[C@@H](C(=O)Nc1c(C)[nH]nc1-c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000034795717 570337345 /nfs/dbraw/zinc/33/73/45/570337345.db2.gz BWEJQUVUQARGOF-HXUWFJFHSA-N 0 0 375.516 5.815 50 0 GKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034795795 570337363 /nfs/dbraw/zinc/33/73/63/570337363.db2.gz PSQKLWMJTARPBY-UHFFFAOYSA-N 0 0 383.442 5.467 50 0 GKAARN CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000034795582 570337366 /nfs/dbraw/zinc/33/73/66/570337366.db2.gz QNUCRMVHQOIWBH-UHFFFAOYSA-N 0 0 391.368 5.439 50 0 GKAARN CC(C)(C)c1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccccc2F)cc1 ZINC000034795818 570337500 /nfs/dbraw/zinc/33/75/00/570337500.db2.gz HLFJPTRZCXXGIL-UHFFFAOYSA-N 0 0 377.463 5.643 50 0 GKAARN Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccccc1Cl ZINC000034795438 570337507 /nfs/dbraw/zinc/33/75/07/570337507.db2.gz FEWDJXMPLMRPBI-UHFFFAOYSA-N 0 0 379.769 5.310 50 0 GKAARN CC(C)(C)c1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000034795809 570337523 /nfs/dbraw/zinc/33/75/23/570337523.db2.gz DBYGCANPYWYERS-UHFFFAOYSA-N 0 0 393.918 6.157 50 0 GKAARN CCc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034796239 570337922 /nfs/dbraw/zinc/33/79/22/570337922.db2.gz RVMUYPWJVNDDGJ-UHFFFAOYSA-N 0 0 395.331 5.188 50 0 GKAARN COc1ccc(-c2n[nH]c(C)c2NC(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000034796566 570338331 /nfs/dbraw/zinc/33/83/31/570338331.db2.gz RVGQTZNBVPYETE-UHFFFAOYSA-N 0 0 394.475 5.170 50 0 GKAARN CCc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1F ZINC000034907270 570339428 /nfs/dbraw/zinc/33/94/28/570339428.db2.gz LTFWLAFSNCQRSP-UHFFFAOYSA-N 0 0 396.224 5.272 50 0 GKAARN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907756 570339754 /nfs/dbraw/zinc/33/97/54/570339754.db2.gz XSSDLSAXTZWQEU-LJQANCHMSA-N 0 0 380.463 5.734 50 0 GKAARN Clc1ccc(SCc2nc3sc4c(c3c(Cl)n2)CCCC4)cc1 ZINC000003327239 570339774 /nfs/dbraw/zinc/33/97/74/570339774.db2.gz GSDJPPPIGUQAPO-UHFFFAOYSA-N 0 0 381.353 6.169 50 0 GKAARN Cc1cccc(-c2ccc3oc([C@H]4CCCN4C(=O)CC(C)(C)C)nc3c2)c1 ZINC000034907831 570339811 /nfs/dbraw/zinc/33/98/11/570339811.db2.gz UUYHANOECXYIMU-HXUWFJFHSA-N 0 0 376.500 5.903 50 0 GKAARN O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907688 570339822 /nfs/dbraw/zinc/33/98/22/570339822.db2.gz HPUVSBYDHWJJOW-NRFANRHFSA-N 0 0 386.426 5.611 50 0 GKAARN CCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907707 570339829 /nfs/dbraw/zinc/33/98/29/570339829.db2.gz WQJVOFCWNWSLAB-NRFANRHFSA-N 0 0 376.500 6.129 50 0 GKAARN O=C(c1ccco1)N1CCC[C@@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034907755 570339867 /nfs/dbraw/zinc/33/98/67/570339867.db2.gz BLONHRLMLLLWSX-GOSISDBHSA-N 0 0 376.387 5.204 50 0 GKAARN COc1cccc(-c2ccc3oc([C@@H]4CCCN4C(=O)c4ccco4)nc3c2)c1 ZINC000034907958 570340092 /nfs/dbraw/zinc/34/00/92/570340092.db2.gz ZFWWTBWNYSPTTD-IBGZPJMESA-N 0 0 388.423 5.074 50 0 GKAARN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908084 570340100 /nfs/dbraw/zinc/34/01/00/570340100.db2.gz CIIFVBBXNFDNMV-GOSISDBHSA-N 0 0 384.426 5.483 50 0 GKAARN CC(C)(C)NC(=O)N1CCC[C@H]1c1nc2cc(-c3cccc(F)c3)ccc2o1 ZINC000034908539 570340112 /nfs/dbraw/zinc/34/01/12/570340112.db2.gz DTKMCGZHZNPXTH-SFHVURJKSA-N 0 0 381.451 5.279 50 0 GKAARN Cc1cc(-c2ccc3oc([C@H]4CCCN4C(=O)c4ccco4)nc3c2)ccc1F ZINC000034908059 570340114 /nfs/dbraw/zinc/34/01/14/570340114.db2.gz IKJNEAKEONKTEC-LJQANCHMSA-N 0 0 390.414 5.513 50 0 GKAARN O=C(C1CCCC1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1 ZINC000034908027 570340134 /nfs/dbraw/zinc/34/01/34/570340134.db2.gz NUPIIBTXUIRQMH-HXUWFJFHSA-N 0 0 396.437 5.627 50 0 GKAARN Cc1ccc(-c2cnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)c(C)c1 ZINC000006203671 570340422 /nfs/dbraw/zinc/34/04/22/570340422.db2.gz YUTUANKWRXEEIC-UHFFFAOYSA-N 0 0 384.504 6.346 50 0 GKAARN CNc1c(Br)cc(/C=C2\C=Cc3ccccc32)cc1Br ZINC000001704778 570340906 /nfs/dbraw/zinc/34/09/06/570340906.db2.gz KPNSXKFHLWKXNV-MDWZMJQESA-N 0 0 391.106 5.821 50 0 GKAARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccccc1)N2 ZINC000000638105 570341068 /nfs/dbraw/zinc/34/10/68/570341068.db2.gz DCQWBGLMHHVSJT-CVEARBPZSA-N 0 0 391.327 5.453 50 0 GKAARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccccc1)N2 ZINC000000638103 570341094 /nfs/dbraw/zinc/34/10/94/570341094.db2.gz DCQWBGLMHHVSJT-HOTGVXAUSA-N 0 0 391.327 5.453 50 0 GKAARN Cc1ccc(F)cc1NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000023043328 570341589 /nfs/dbraw/zinc/34/15/89/570341589.db2.gz NACHNCWCRMTNJL-UHFFFAOYSA-N 0 0 385.442 5.298 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C/c2c(F)cccc2F)C1=O ZINC000006210231 570342437 /nfs/dbraw/zinc/34/24/37/570342437.db2.gz PWRUKHAOJZQJHN-LGMDPLHJSA-N 0 0 375.374 5.001 50 0 GKAARN Cc1nc(NC(=O)C(c2ccccc2)c2ccccc2)sc1-c1ccccn1 ZINC000024031634 570342521 /nfs/dbraw/zinc/34/25/21/570342521.db2.gz VIOFGKDNIKWSBX-UHFFFAOYSA-N 0 0 385.492 5.284 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)/C=C/c1ccccc1)C(C)(C)C[C@@]2(C)c1ccccc1 ZINC000006216435 570342756 /nfs/dbraw/zinc/34/27/56/570342756.db2.gz BDJTVIRARCJESH-XRSIXNAVSA-N 0 0 395.546 6.530 50 0 GKAARN O=C(c1cccs1)n1ccc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000005771895 570342784 /nfs/dbraw/zinc/34/27/84/570342784.db2.gz PTIHJZMQAGKWEP-UHFFFAOYSA-N 0 0 394.883 5.533 50 0 GKAARN O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000006216653 570342832 /nfs/dbraw/zinc/34/28/32/570342832.db2.gz ZPXASUHUTOUBCP-UHFFFAOYSA-N 0 0 398.528 5.559 50 0 GKAARN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000007780956 570342870 /nfs/dbraw/zinc/34/28/70/570342870.db2.gz MUAWKDQINCKBDJ-FEAKQIBJSA-N 0 0 385.891 5.667 50 0 GKAARN COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000006220341 570342949 /nfs/dbraw/zinc/34/29/49/570342949.db2.gz MUUQCSIMSBVIHS-UHFFFAOYSA-N 0 0 386.476 5.738 50 0 GKAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2ccc(C(C)C)cc2)c1 ZINC000034895490 570342990 /nfs/dbraw/zinc/34/29/90/570342990.db2.gz CHZKTNCNWMIEOS-JYRVWZFOSA-N 0 0 384.907 5.854 50 0 GKAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000006219557 570343158 /nfs/dbraw/zinc/34/31/58/570343158.db2.gz FCOVQEDSIIGCSB-UHFFFAOYSA-N 0 0 399.249 5.576 50 0 GKAARN CCOc1ccc(OCC)c(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000024041495 570343650 /nfs/dbraw/zinc/34/36/50/570343650.db2.gz DLTQFTYLLQXXFH-UHFFFAOYSA-N 0 0 395.480 5.357 50 0 GKAARN CCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)s1 ZINC000034901103 570343651 /nfs/dbraw/zinc/34/36/51/570343651.db2.gz JCDMKMMRKGIXKD-UHFFFAOYSA-N 0 0 399.825 5.556 50 0 GKAARN FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1ccc(Cl)cc1 ZINC000006221814 570343747 /nfs/dbraw/zinc/34/37/47/570343747.db2.gz NVCIGWIEVWVCDC-UHFFFAOYSA-N 0 0 393.579 6.401 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)CCc1ccccc1 ZINC000034914970 570343943 /nfs/dbraw/zinc/34/39/43/570343943.db2.gz RIUAPUZQXZGWFM-UHFFFAOYSA-N 0 0 391.421 5.159 50 0 GKAARN CCCC[C@@H](CC)C(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21 ZINC000034914950 570344010 /nfs/dbraw/zinc/34/40/10/570344010.db2.gz NFAQBQQIWBERNY-OAHLLOKOSA-N 0 0 385.458 5.743 50 0 GKAARN CCCC[C@H](CC)C(=O)Nc1c(-c2cccc(F)c2F)nc2cc(C)ccn21 ZINC000034914951 570344046 /nfs/dbraw/zinc/34/40/46/570344046.db2.gz NFAQBQQIWBERNY-HNNXBMFYSA-N 0 0 385.458 5.743 50 0 GKAARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000006228696 570344211 /nfs/dbraw/zinc/34/42/11/570344211.db2.gz NQJNDERQZNNGKK-HJFHBGSISA-N 0 0 396.943 6.277 50 0 GKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)Nc1ccc(F)cc1F ZINC000034915078 570344312 /nfs/dbraw/zinc/34/43/12/570344312.db2.gz SCBQYZARCNZVKK-UHFFFAOYSA-N 0 0 398.800 5.577 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)Nc1ccc(F)c(F)c1 ZINC000034915095 570344338 /nfs/dbraw/zinc/34/43/38/570344338.db2.gz ZXYPYSAQEZLORN-UHFFFAOYSA-N 0 0 378.382 5.232 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)NCc1ccccc1 ZINC000034915137 570344354 /nfs/dbraw/zinc/34/43/54/570344354.db2.gz NXJARTDFMUCLTN-UHFFFAOYSA-N 0 0 384.483 5.248 50 0 GKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)c1ccc(Cl)cc1 ZINC000034915071 570344362 /nfs/dbraw/zinc/34/43/62/570344362.db2.gz QDEGIROPXJGTJZ-UHFFFAOYSA-N 0 0 389.886 5.832 50 0 GKAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)Nc3ccc(F)c(F)c3)n2c1 ZINC000034915103 570344419 /nfs/dbraw/zinc/34/44/19/570344419.db2.gz QEJFDTPKNGQPMD-UHFFFAOYSA-N 0 0 396.372 5.371 50 0 GKAARN C[C@@H](CC(=O)Nc1c(-c2cc(F)ccc2F)nc2ccccn21)CC(C)(C)C ZINC000034916119 570344632 /nfs/dbraw/zinc/34/46/32/570344632.db2.gz MQAMDADHMMYTTN-AWEZNQCLSA-N 0 0 385.458 5.680 50 0 GKAARN CCOc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1Cl ZINC000023126598 570345210 /nfs/dbraw/zinc/34/52/10/570345210.db2.gz RFQVPJAUEDVDJD-UHFFFAOYSA-N 0 0 395.915 5.741 50 0 GKAARN Cc1cc(C)n(C(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)n1 ZINC000023126945 570345459 /nfs/dbraw/zinc/34/54/59/570345459.db2.gz FSSDCYCDCWNUTP-UHFFFAOYSA-N 0 0 381.888 5.361 50 0 GKAARN Cc1cccc(-c2ccccc2C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)c1 ZINC000219021267 570345866 /nfs/dbraw/zinc/34/58/66/570345866.db2.gz ZPJPRSDCAQLDQT-FQEVSTJZSA-N 0 0 375.472 5.146 50 0 GKAARN CCCC[C@H](CC)C(=O)Nc1c(-c2ccccc2OC)nc2cc(C)ccn21 ZINC000034912644 570346165 /nfs/dbraw/zinc/34/61/65/570346165.db2.gz LSHJMLFXQRADDY-KRWDZBQOSA-N 0 0 379.504 5.473 50 0 GKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)[C@@H]1C[C@H]1c1ccccc1 ZINC000034912535 570346173 /nfs/dbraw/zinc/34/61/73/570346173.db2.gz MBFPKJNTNUMCPF-RBUKOAKNSA-N 0 0 387.870 5.397 50 0 GKAARN O=C(Nc1cccc(Cl)c1)N1CCc2c(c3ccccc3n2CC2CC2)C1 ZINC000034928463 570346193 /nfs/dbraw/zinc/34/61/93/570346193.db2.gz YDJFLIBZMVPXMQ-UHFFFAOYSA-N 0 0 379.891 5.295 50 0 GKAARN O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn21)c1cccc(Cl)c1 ZINC000034912521 570346233 /nfs/dbraw/zinc/34/62/33/570346233.db2.gz NCKXUOIXCVMDNS-UHFFFAOYSA-N 0 0 382.250 5.560 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1ccc(Cl)cc1Cl ZINC000034912823 570346539 /nfs/dbraw/zinc/34/65/39/570346539.db2.gz WWKCYSUVESCTRZ-UHFFFAOYSA-N 0 0 396.277 5.869 50 0 GKAARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21)c1ccccc1 ZINC000034913009 570346589 /nfs/dbraw/zinc/34/65/89/570346589.db2.gz USOUKZFWENHSMD-UHFFFAOYSA-N 0 0 381.357 5.272 50 0 GKAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)CCC2CCCC2)cc1 ZINC000034912798 570346609 /nfs/dbraw/zinc/34/66/09/570346609.db2.gz LNEOOIOSVXHPEN-UHFFFAOYSA-N 0 0 377.488 5.227 50 0 GKAARN CC[C@H](C(=O)Nc1c(-c2ccc(OC)cc2)nc2ccccn21)c1ccccc1 ZINC000034912752 570346643 /nfs/dbraw/zinc/34/66/43/570346643.db2.gz LLMJNLWDTJIQLM-FQEVSTJZSA-N 0 0 385.467 5.142 50 0 GKAARN COc1ccc2oc(-c3csc(NC(=O)c4c(F)cccc4F)n3)cc2c1 ZINC000010883261 570346683 /nfs/dbraw/zinc/34/66/83/570346683.db2.gz QSPWOKXUGIMXCK-UHFFFAOYSA-N 0 0 386.379 5.095 50 0 GKAARN Cc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)nc3ccc(C)cn32)cc1 ZINC000034913192 570346747 /nfs/dbraw/zinc/34/67/47/570346747.db2.gz OAXHSNTXUUXGLX-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN CCc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)nc3ccc(C)cn32)cc1 ZINC000034913219 570346794 /nfs/dbraw/zinc/34/67/94/570346794.db2.gz GQJDTUKFXQZRJJ-UHFFFAOYSA-N 0 0 389.886 5.778 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3ccc(F)cc3)n2c1 ZINC000034913200 570346818 /nfs/dbraw/zinc/34/68/18/570346818.db2.gz PIFPTVDIFLXCJS-UHFFFAOYSA-N 0 0 379.822 5.355 50 0 GKAARN O=C(Nc1c(-c2cccc(F)c2)nc2ccccn21)c1ccc(C(F)(F)F)cc1 ZINC000034913265 570346882 /nfs/dbraw/zinc/34/68/82/570346882.db2.gz LWOUFLVXRQSGKS-UHFFFAOYSA-N 0 0 399.347 5.412 50 0 GKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)Cc3ccccc3)n2c1 ZINC000034913228 570346886 /nfs/dbraw/zinc/34/68/86/570346886.db2.gz TYHZEPNGBWYYLG-UHFFFAOYSA-N 0 0 375.859 5.144 50 0 GKAARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000003463001 570347157 /nfs/dbraw/zinc/34/71/57/570347157.db2.gz UNIWXMFSNRRLDE-JOCHJYFZSA-N 0 0 389.926 6.210 50 0 GKAARN Cc1ccn2c(c1)nc(-c1ccccc1C)c2NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000034913329 570347274 /nfs/dbraw/zinc/34/72/74/570347274.db2.gz CNRZQKSSQGVKQA-UHFFFAOYSA-N 0 0 399.538 5.773 50 0 GKAARN Clc1ccccc1-c1nc(N2CCCC2)nc2ccc(Br)cc21 ZINC000023175954 570348066 /nfs/dbraw/zinc/34/80/66/570348066.db2.gz HCFKDAMZSQNEQU-UHFFFAOYSA-N 0 0 388.696 5.313 50 0 GKAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)c1ccc(C)cc1 ZINC000022646928 570348176 /nfs/dbraw/zinc/34/81/76/570348176.db2.gz URJQWBJNYBAULH-HNNXBMFYSA-N 0 0 387.545 6.025 50 0 GKAARN C[C@@H](NC(=O)CSc1ccc2ccccc2n1)C12CC3CC(CC(C3)C1)C2 ZINC000006248327 570348298 /nfs/dbraw/zinc/34/82/98/570348298.db2.gz ACBISYNGRRQXDY-LRYXAPPNSA-N 0 0 380.557 5.048 50 0 GKAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1cc2ccccc2[nH]1 ZINC000035397038 570348539 /nfs/dbraw/zinc/34/85/39/570348539.db2.gz DLMYCHCNMIRAMX-UHFFFAOYSA-N 0 0 380.451 5.082 50 0 GKAARN COc1ccccc1-c1c(C)nn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000003651644 570349575 /nfs/dbraw/zinc/34/95/75/570349575.db2.gz WQVUVSXKFLGQJM-UHFFFAOYSA-N 0 0 383.373 5.399 50 0 GKAARN Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1 ZINC000004860313 570349839 /nfs/dbraw/zinc/34/98/39/570349839.db2.gz WYUAYWLFSCRCOY-PDGQHHTCSA-N 0 0 397.352 5.618 50 0 GKAARN CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004863099 570350555 /nfs/dbraw/zinc/35/05/55/570350555.db2.gz ORBLBEZCQIBCIS-UKILVPOCSA-N 0 0 382.507 6.226 50 0 GKAARN CCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004863260 570350564 /nfs/dbraw/zinc/35/05/64/570350564.db2.gz HGMSWLATFIDTLF-ZCYQVOJMSA-N 0 0 384.479 5.718 50 0 GKAARN Cc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004863803 570350567 /nfs/dbraw/zinc/35/05/67/570350567.db2.gz RUYDECFBATXHLP-XMMPIXPASA-N 0 0 381.454 6.112 50 0 GKAARN CCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000004862955 570350582 /nfs/dbraw/zinc/35/05/82/570350582.db2.gz FLZLXKGNMOQKKM-AHWVRZQESA-N 0 0 398.506 6.026 50 0 GKAARN Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2ccccc2o1 ZINC000003770799 570350596 /nfs/dbraw/zinc/35/05/96/570350596.db2.gz UZISJKMOXSXCKO-UHFFFAOYSA-N 0 0 384.479 6.353 50 0 GKAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000003771947 570350615 /nfs/dbraw/zinc/35/06/15/570350615.db2.gz UOVMXNOKZWKRCH-UHFFFAOYSA-N 0 0 395.572 5.101 50 0 GKAARN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(Cc2ccccc2)c2ccccc12 ZINC000004869704 570351491 /nfs/dbraw/zinc/35/14/91/570351491.db2.gz TWRRDGFOXLLTFV-SANMLTNESA-N 0 0 393.490 5.387 50 0 aggregator GKAARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000033456112 570351585 /nfs/dbraw/zinc/35/15/85/570351585.db2.gz FPUOLHVGNVOHHI-RQOWECAXSA-N 0 0 382.115 5.341 50 0 GKAARN COc1cc(OC)c(NC(=O)c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000006259284 570351683 /nfs/dbraw/zinc/35/16/83/570351683.db2.gz UXBRKBLZMPLRTJ-UHFFFAOYSA-N 0 0 383.831 5.402 50 0 GKAARN COc1cc(C)c(NC(=O)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000006259180 570351731 /nfs/dbraw/zinc/35/17/31/570351731.db2.gz SDCFDCONLLXFSD-UHFFFAOYSA-N 0 0 375.468 5.173 50 0 GKAARN COc1cc(SC)ccc1C(=O)Nc1ccc(Br)cc1Cl ZINC000006260130 570352019 /nfs/dbraw/zinc/35/20/19/570352019.db2.gz YPPDGMTXBWIWKF-UHFFFAOYSA-N 0 0 386.698 5.085 50 0 GKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003869467 570352506 /nfs/dbraw/zinc/35/25/06/570352506.db2.gz HVYWMOMLDIMFJA-HEHHJMDJSA-N 0 0 386.664 7.389 50 0 GKAARN CCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)O[C@@H](C)CCCCCC ZINC000003875862 570352903 /nfs/dbraw/zinc/35/29/03/570352903.db2.gz RLRMXWDXPLINPJ-PMACEKPBSA-N 0 0 390.564 6.718 50 0 GKAARN CC(C)(C)c1cc([C@@H](O)CSc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O ZINC000003877116 570352906 /nfs/dbraw/zinc/35/29/06/570352906.db2.gz XHAYFDVWZGRSII-IBGZPJMESA-N 0 0 398.572 5.689 50 0 GKAARN CCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)O[C@H](C)CCCCCC ZINC000003875863 570352973 /nfs/dbraw/zinc/35/29/73/570352973.db2.gz RLRMXWDXPLINPJ-WOJBJXKFSA-N 0 0 390.564 6.718 50 0 GKAARN CCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000004875214 570353141 /nfs/dbraw/zinc/35/31/41/570353141.db2.gz OXYMCQTYTUGUAJ-UHFFFAOYSA-N 0 0 391.489 5.124 50 0 GKAARN C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000006266257 570353393 /nfs/dbraw/zinc/35/33/93/570353393.db2.gz BTKLISRXRMVGRX-VFNWGFHPSA-N 0 0 394.877 6.071 50 0 GKAARN Cc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)n2)cc1 ZINC000003997861 570353915 /nfs/dbraw/zinc/35/39/15/570353915.db2.gz QRSBFEMNNQHMCE-DEOSSOPVSA-N 0 0 395.531 6.474 50 0 GKAARN O=C(Nc1ccccc1SC(F)F)c1ccc(C2SCCCS2)cc1 ZINC000023299710 570354008 /nfs/dbraw/zinc/35/40/08/570354008.db2.gz MXYIBEMODZGFJK-UHFFFAOYSA-N 0 0 397.537 6.122 50 0 GKAARN Brc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004011741 570354042 /nfs/dbraw/zinc/35/40/42/570354042.db2.gz KFSWJSAWJQGHTF-NRFANRHFSA-N 0 0 377.285 5.805 50 0 GKAARN FC(F)(F)c1ccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1 ZINC000006269878 570354213 /nfs/dbraw/zinc/35/42/13/570354213.db2.gz PFLCCXNINOGLCQ-IBGZPJMESA-N 0 0 389.467 7.125 50 0 GKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000004881680 570354382 /nfs/dbraw/zinc/35/43/82/570354382.db2.gz MOYXPDJUVWOEGW-CJNGLKHVSA-N 0 0 384.932 5.925 50 0 GKAARN CSc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000004881649 570354454 /nfs/dbraw/zinc/35/44/54/570354454.db2.gz UQSCMCMYPXVLCQ-UHFFFAOYSA-N 0 0 390.533 5.615 50 0 GKAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)/C=C/c1ccccc1 ZINC000023317381 570354637 /nfs/dbraw/zinc/35/46/37/570354637.db2.gz 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570355132 /nfs/dbraw/zinc/35/51/32/570355132.db2.gz DGQIEHGFGKICLR-UHFFFAOYSA-N 0 0 378.453 5.027 50 0 GKAARN COc1ccc2cc3cc(C(=O)N(C)c4cc(C)ccc4OC)sc3nc2c1 ZINC000004886422 570355144 /nfs/dbraw/zinc/35/51/44/570355144.db2.gz YIVIFEDLYVDYOY-UHFFFAOYSA-N 0 0 392.480 5.052 50 0 GKAARN CCOc1ccc(N(CC)C(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1 ZINC000004886070 570355208 /nfs/dbraw/zinc/35/52/08/570355208.db2.gz RELBLVKHFUPHFN-UHFFFAOYSA-N 0 0 390.508 5.823 50 0 GKAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000004038816 570355303 /nfs/dbraw/zinc/35/53/03/570355303.db2.gz ZJQSBXUCINXNSP-UHFFFAOYSA-N 0 0 385.813 5.808 50 0 GKAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000035426080 570355669 /nfs/dbraw/zinc/35/56/69/570355669.db2.gz WOTFGDAFLBMJCI-UHFFFAOYSA-N 0 0 392.484 5.037 50 0 GKAARN Cc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1C1CC1 ZINC000008072140 570355749 /nfs/dbraw/zinc/35/57/49/570355749.db2.gz IBSGMKQKKNVZBW-HXUWFJFHSA-N 0 0 392.528 5.010 50 0 GKAARN CCSC1=N/C(=C/c2cc(Br)cs2)C(=O)N1c1ccccc1 ZINC000004883172 570355814 /nfs/dbraw/zinc/35/58/14/570355814.db2.gz VBCPEIBMJADCPY-NTEUORMPSA-N 0 0 393.331 5.007 50 0 GKAARN CCCSC1=N/C(=C/c2ccc(CC)cc2)C(=O)N1c1ccc(C)cc1Cl ZINC000004883167 570355950 /nfs/dbraw/zinc/35/59/50/570355950.db2.gz URTHOQSCNCZBOA-XMHGGMMESA-N 0 0 398.959 6.098 50 0 GKAARN CCc1ccc(/C=C2/N=C(SC)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000004883211 570355988 /nfs/dbraw/zinc/35/59/88/570355988.db2.gz NBWQBRSLWDEEIQ-GZTJUZNOSA-N 0 0 386.904 5.018 50 0 GKAARN CCSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004883247 570356120 /nfs/dbraw/zinc/35/61/20/570356120.db2.gz KJEQEIGWTMRUEH-BOPFTXTBSA-N 0 0 386.904 5.154 50 0 GKAARN O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(Cl)cc1 ZINC000004890485 570357042 /nfs/dbraw/zinc/35/70/42/570357042.db2.gz XWSAPHNEUFCJMK-UHFFFAOYSA-N 0 0 397.931 5.183 50 0 GKAARN CC(=O)c1cccc(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1 ZINC000035429747 570357568 /nfs/dbraw/zinc/35/75/68/570357568.db2.gz HWTKQKMRGBUZGU-UHFFFAOYSA-N 0 0 396.450 5.137 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)Nc3cccc(C)c3C)nc3ccccc32)cc1 ZINC000035429696 570357629 /nfs/dbraw/zinc/35/76/29/570357629.db2.gz UGYQJJADJDYWSX-UHFFFAOYSA-N 0 0 382.467 5.551 50 0 GKAARN Cc1ccc(Nc2nc(C(=O)NCCC3=CCCCC3)nc3ccccc32)cc1 ZINC000035429763 570357651 /nfs/dbraw/zinc/35/76/51/570357651.db2.gz QXZQKZYWJCQPKX-UHFFFAOYSA-N 0 0 386.499 5.302 50 0 GKAARN Fc1ccc(-c2csc3ncnc(Nc4cccc(C(F)(F)F)c4)c23)cc1 ZINC000004116530 570357971 /nfs/dbraw/zinc/35/79/71/570357971.db2.gz GWFDCWLMCZTDEH-UHFFFAOYSA-N 0 0 389.377 6.260 50 0 GKAARN Cc1cc(C)c(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1C ZINC000004892725 570357966 /nfs/dbraw/zinc/35/79/66/570357966.db2.gz OUXJVGUNSPDFKS-UHFFFAOYSA-N 0 0 386.567 5.564 50 0 GKAARN CCOCCOCc1cccc(NC(=O)c2ccc(-c3ccccc3F)o2)c1C ZINC000175286183 570358094 /nfs/dbraw/zinc/35/80/94/570358094.db2.gz WNEGZXMSJBQVRP-UHFFFAOYSA-N 0 0 397.446 5.200 50 0 GKAARN Clc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000004114832 570358142 /nfs/dbraw/zinc/35/81/42/570358142.db2.gz BTJQOVYSTNOLJE-UHFFFAOYSA-N 0 0 377.875 5.381 50 0 GKAARN O=C([O-])[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000004118414 570358167 /nfs/dbraw/zinc/35/81/67/570358167.db2.gz RVYGDARILBXHBS-NRFANRHFSA-N 0 0 399.918 5.204 50 0 GKAARN Cc1ccc(-n2c(/C=C/c3ccc(C(C)C)cc3)nc3ccccc3c2=O)cc1 ZINC000004899160 570358680 /nfs/dbraw/zinc/35/86/80/570358680.db2.gz QDWZTWSULDQQFI-SFQUDFHCSA-N 0 0 380.491 5.988 50 0 GKAARN CC[C@H](c1nnc(SC/C=C/c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000008128339 570358735 /nfs/dbraw/zinc/35/87/35/570358735.db2.gz BJYNHISEMMJNFO-RBNQXFGJSA-N 0 0 392.572 5.145 50 0 GKAARN Cc1ccnc(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(Cl)cc2Cl)c1 ZINC000004900425 570359407 /nfs/dbraw/zinc/35/94/07/570359407.db2.gz IZTORILHKXKAKD-LJQANCHMSA-N 0 0 384.266 5.468 50 0 GKAARN Cc1c([C@H]2c3ccccc3Oc3ccc(C)cc32)c(=O)n(-c2ccccc2)n1C ZINC000004143611 570359484 /nfs/dbraw/zinc/35/94/84/570359484.db2.gz LVJCZHLMMCQZHH-DEOSSOPVSA-N 0 0 382.463 5.079 50 0 GKAARN Cc1ccc2c(CSCc3c(C)cc(C(C)(C)C)cc3C)cc(=O)oc2c1C ZINC000008150750 570359742 /nfs/dbraw/zinc/35/97/42/570359742.db2.gz YADPLONNLIOKFH-UHFFFAOYSA-N 0 0 394.580 6.758 50 0 GKAARN O=C(c1ccccc1Nc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023383971 570359873 /nfs/dbraw/zinc/35/98/73/570359873.db2.gz SMSZTTMGAUSOIO-XMMPIXPASA-N 0 0 386.495 5.016 50 0 GKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CCCCC1)O2 ZINC000004146234 570359907 /nfs/dbraw/zinc/35/99/07/570359907.db2.gz YOHNSHGESHQVNS-LJQANCHMSA-N 0 0 397.316 5.653 50 0 GKAARN COc1cccc2c1OC1(CCCCC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000004146205 570359911 /nfs/dbraw/zinc/35/99/11/570359911.db2.gz MEHSIEASXOREMU-IBGZPJMESA-N 0 0 382.891 5.553 50 0 GKAARN COc1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)c1 ZINC000035446343 570359934 /nfs/dbraw/zinc/35/99/34/570359934.db2.gz GRRIIBOPPIANSQ-UHFFFAOYSA-N 0 0 395.422 5.099 50 0 GKAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(Nc4ccc(F)cc4)n3)o2)c1 ZINC000035446419 570359956 /nfs/dbraw/zinc/35/99/56/570359956.db2.gz XRNNLVCCTRLQLH-UHFFFAOYSA-N 0 0 397.413 5.538 50 0 GKAARN Cc1ccnc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2C(F)(F)F)c1 ZINC000004900766 570359977 /nfs/dbraw/zinc/35/99/77/570359977.db2.gz POHBEDIMLFHLSV-IBGZPJMESA-N 0 0 383.373 5.180 50 0 GKAARN Cc1cc(C)cc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)c1 ZINC000035446365 570360015 /nfs/dbraw/zinc/36/00/15/570360015.db2.gz NUYPBKSISMYETP-UHFFFAOYSA-N 0 0 393.450 5.707 50 0 GKAARN O=C(CCc1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004156059 570360168 /nfs/dbraw/zinc/36/01/68/570360168.db2.gz CIVWKLHAHVELOJ-UHFFFAOYSA-N 0 0 377.296 5.688 50 0 GKAARN Cc1c(C(c2c(C)n(C)c3ccccc32)c2ccccc2O)c2ccccc2n1C ZINC000004151552 570360232 /nfs/dbraw/zinc/36/02/32/570360232.db2.gz YNJDYTIHQUDBQH-UHFFFAOYSA-N 0 0 394.518 6.173 50 0 GKAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(C)c1 ZINC000035446698 570360328 /nfs/dbraw/zinc/36/03/28/570360328.db2.gz XMNLCXDTBNJSPO-UHFFFAOYSA-N 0 0 386.499 5.043 50 0 biogenic GKAARN CCCc1ccc(Oc2c(=O)c3ccc(OC)c(C)c3oc2C(F)(F)F)cc1 ZINC000004174191 570360916 /nfs/dbraw/zinc/36/09/16/570360916.db2.gz LYEAVXDCZHAXOX-UHFFFAOYSA-N 0 0 392.373 5.874 50 0 biogenic GKAARN CCc1cccc(C)c1NC(=S)NCCc1c(C)[nH]c2ccc(Cl)cc21 ZINC000004905121 570360951 /nfs/dbraw/zinc/36/09/51/570360951.db2.gz HRKBCPRQBZKVMC-UHFFFAOYSA-N 0 0 385.964 5.530 50 0 GKAARN C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004179587 570361652 /nfs/dbraw/zinc/36/16/52/570361652.db2.gz RXCBQXBLUMZWLZ-KRGUIMPISA-N 0 0 387.523 5.645 50 0 GKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000004194728 570362233 /nfs/dbraw/zinc/36/22/33/570362233.db2.gz ZYOOYSUWZXGQBF-UHFFFAOYSA-N 0 0 380.472 6.369 50 0 GKAARN CCCCCC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O ZINC000004190328 570362258 /nfs/dbraw/zinc/36/22/58/570362258.db2.gz LELSJHVJXZQDIX-VLIAUNLRSA-N 0 0 392.952 6.289 50 0 GKAARN Cc1ccc2cc3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)oc3nc2c1 ZINC000004905878 570362299 /nfs/dbraw/zinc/36/22/99/570362299.db2.gz DNEHQPKJGPJOMC-UHFFFAOYSA-N 0 0 394.430 6.334 50 0 GKAARN CCCCN(C)c1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000023437771 570362563 /nfs/dbraw/zinc/36/25/63/570362563.db2.gz SAFLYLBMLHEFMT-UHFFFAOYSA-N 0 0 383.495 6.325 50 0 GKAARN CCc1ccccc1Nc1cc(C(=O)NC2CCC(C)CC2)c2ccccc2n1 ZINC000004910286 570362778 /nfs/dbraw/zinc/36/27/78/570362778.db2.gz VQEVVMQDEADINC-UHFFFAOYSA-N 0 0 387.527 5.849 50 0 GKAARN CCCCN(CC)c1nc(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000023445802 570362861 /nfs/dbraw/zinc/36/28/61/570362861.db2.gz RZWGRBFMXWSNQI-UHFFFAOYSA-N 0 0 397.522 6.716 50 0 GKAARN CCc1ccc(Nc2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc1 ZINC000004910421 570362831 /nfs/dbraw/zinc/36/28/31/570362831.db2.gz KDCWYMZFXDEFJA-UHFFFAOYSA-N 0 0 387.527 5.993 50 0 GKAARN Cc1ccccc1Nc1cc(C(=O)NC2CCCCCCC2)c2ccccc2n1 ZINC000004910779 570363262 /nfs/dbraw/zinc/36/32/62/570363262.db2.gz VQYMBXHPTXRQNQ-UHFFFAOYSA-N 0 0 387.527 6.130 50 0 GKAARN Cc1ccc(CNC(=O)c2cc(Nc3cc(C)cc(C)c3)nc3ccccc32)cc1 ZINC000004911263 570363265 /nfs/dbraw/zinc/36/32/65/570363265.db2.gz HGTHJTSQFQWIAD-UHFFFAOYSA-N 0 0 395.506 5.834 50 0 GKAARN CC(C)c1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000004910753 570363297 /nfs/dbraw/zinc/36/32/97/570363297.db2.gz GVGRGXGRWJEBMD-FQEVSTJZSA-N 0 0 389.543 5.322 50 0 GKAARN CCn1cc(CN(C(=S)Nc2ccc(C)c(C)c2)C(C)C)c2ccccc21 ZINC000004913348 570363511 /nfs/dbraw/zinc/36/35/11/570363511.db2.gz QVZVSQUIUSJXEC-UHFFFAOYSA-N 0 0 379.573 5.885 50 0 GKAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccc(C)cc2C)cc1 ZINC000004913316 570363604 /nfs/dbraw/zinc/36/36/04/570363604.db2.gz UKPBKEVMAKLXKM-XMMPIXPASA-N 0 0 396.490 5.554 50 0 GKAARN Cc1cccc(CSc2nc3ccncc3n2Cc2c(C)cc(C)cc2C)c1 ZINC000004913659 570363760 /nfs/dbraw/zinc/36/37/60/570363760.db2.gz ZVGIGAUVEZJWBG-UHFFFAOYSA-N 0 0 387.552 6.006 50 0 GKAARN Cc1ccc(C)c(Cn2c3cnccc3nc2SCc2ccc(F)cc2)c1 ZINC000004914263 570363828 /nfs/dbraw/zinc/36/38/28/570363828.db2.gz FXSOFQTYZCKAPD-UHFFFAOYSA-N 0 0 377.488 5.528 50 0 GKAARN Cc1ccc(CSc2nc3ccncc3n2Cc2ccccc2Cl)cc1 ZINC000004913922 570363917 /nfs/dbraw/zinc/36/39/17/570363917.db2.gz FRCUYVVKBFYASU-UHFFFAOYSA-N 0 0 379.916 5.734 50 0 GKAARN Cc1ccc(C)c(CSc2nc3ccncc3n2Cc2ccccc2F)c1 ZINC000004914404 570363919 /nfs/dbraw/zinc/36/39/19/570363919.db2.gz QTQSSXMGSQPPSL-UHFFFAOYSA-N 0 0 377.488 5.528 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1ccc(OC)cc1 ZINC000004913707 570363921 /nfs/dbraw/zinc/36/39/21/570363921.db2.gz GZPWNLJODADAPH-QGZVFWFLSA-N 0 0 395.572 5.667 50 0 GKAARN CC[C@@H](C)N(Cc1cn(CC)c2ccccc12)C(=S)Nc1cccc(C)c1 ZINC000004913626 570363928 /nfs/dbraw/zinc/36/39/28/570363928.db2.gz QTOTXJJFZVHOMN-GOSISDBHSA-N 0 0 379.573 5.967 50 0 GKAARN CC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915030 570364033 /nfs/dbraw/zinc/36/40/33/570364033.db2.gz JBDINUQSFCGWFR-JOCHJYFZSA-N 0 0 390.870 5.309 50 0 GKAARN Cc1ccc(C)c(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 ZINC000004915153 570364051 /nfs/dbraw/zinc/36/40/51/570364051.db2.gz HNEUZOHRPZCALD-QFIPXVFZSA-N 0 0 376.887 5.724 50 0 GKAARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004262223 570364096 /nfs/dbraw/zinc/36/40/96/570364096.db2.gz QYIXCDOBOSTCEI-QCYZZNICSA-N 0 0 388.680 7.469 50 0 endogenous,in-man GKAARN CCc1cccc(C)c1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004914931 570364165 /nfs/dbraw/zinc/36/41/65/570364165.db2.gz QHMCMRDIVAZUHU-HSZRJFAPSA-N 0 0 390.914 5.978 50 0 GKAARN CC(C)c1ccc(Nc2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1 ZINC000004911707 570364275 /nfs/dbraw/zinc/36/42/75/570364275.db2.gz LGNMUYZYHYOPFA-UHFFFAOYSA-N 0 0 387.527 6.118 50 0 GKAARN CCc1ccccc1NC(=S)N(Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000004912115 570364293 /nfs/dbraw/zinc/36/42/93/570364293.db2.gz ZIJIKJGRMBGGGM-UHFFFAOYSA-N 0 0 391.584 6.262 50 0 GKAARN Cc1ccc(NC(=S)N(Cc2c[nH]c3ccccc23)C2CCCCC2)c(C)c1 ZINC000004911969 570364333 /nfs/dbraw/zinc/36/43/33/570364333.db2.gz HUZBVLSHVXTLOD-UHFFFAOYSA-N 0 0 391.584 6.316 50 0 GKAARN CCc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000035463106 570364337 /nfs/dbraw/zinc/36/43/37/570364337.db2.gz QDQYBHYVYIVXDZ-DEOSSOPVSA-N 0 0 383.491 5.344 50 0 GKAARN Cc1cccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCC2)c1 ZINC000004912637 570365026 /nfs/dbraw/zinc/36/50/26/570365026.db2.gz UIQSKXFUGSKOKO-UHFFFAOYSA-N 0 0 377.557 5.628 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2[C@H]1Nc1ccc(Br)cc1 ZINC000004918698 570365692 /nfs/dbraw/zinc/36/56/92/570365692.db2.gz QAFNBJDYAGBSQT-FQEVSTJZSA-N 0 0 393.284 5.529 50 0 GKAARN c1ccc(N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000004301217 570366367 /nfs/dbraw/zinc/36/63/67/570366367.db2.gz IXKZYCTZTHFKKO-XMMPIXPASA-N 0 0 392.458 5.924 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1cccc2ccccc21 ZINC000004300867 570366375 /nfs/dbraw/zinc/36/63/75/570366375.db2.gz HDMWSXJZXAEOQY-GNMGOMLTSA-N 0 0 399.578 6.943 50 0 GKAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)/C(=C/c5ccccc5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118912726 570366442 /nfs/dbraw/zinc/36/64/42/570366442.db2.gz CGFWQQQWRBBZTJ-QRINFTRYSA-N 0 0 394.599 5.835 50 0 GKAARN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118912388 570366456 /nfs/dbraw/zinc/36/64/56/570366456.db2.gz HVYWMOMLDIMFJA-QGCYDVEPSA-N 0 0 386.664 7.389 50 0 GKAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000006302901 570366543 /nfs/dbraw/zinc/36/65/43/570366543.db2.gz CPDKAUOEJRCABH-QGZVFWFLSA-N 0 0 382.851 5.067 50 0 GKAARN N=c1scc(-c2ccccc2)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004307023 570366888 /nfs/dbraw/zinc/36/68/88/570366888.db2.gz DTDLFOWKXXSVQQ-UHFFFAOYSA-N 0 0 388.336 5.723 50 0 GKAARN CC(C)c1ccccc1OCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000006306248 570367043 /nfs/dbraw/zinc/36/70/43/570367043.db2.gz KGWQACXGHUQTAZ-UHFFFAOYSA-N 0 0 387.523 5.527 50 0 GKAARN Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000004309997 570367063 /nfs/dbraw/zinc/36/70/63/570367063.db2.gz WGYUVFNCFBGRMK-IRLDBZIGSA-N 0 0 395.289 6.236 50 0 GKAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000004309615 570367115 /nfs/dbraw/zinc/36/71/15/570367115.db2.gz AMPROBWNLJZHSM-JTHBVZDNSA-N 0 0 390.870 5.591 50 0 GKAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004309671 570367149 /nfs/dbraw/zinc/36/71/49/570367149.db2.gz BDLCHTBVAQIDHY-GHTZIAJQSA-N 0 0 380.900 5.952 50 0 GKAARN Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000004310000 570367172 /nfs/dbraw/zinc/36/71/72/570367172.db2.gz HSUBMQNOTXTJKH-UNMCSNQZSA-N 0 0 378.834 5.721 50 0 GKAARN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000004309658 570367175 /nfs/dbraw/zinc/36/71/75/570367175.db2.gz FPSFHRDXOXPXAN-UNMCSNQZSA-N 0 0 395.289 6.236 50 0 GKAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915875 570367277 /nfs/dbraw/zinc/36/72/77/570367277.db2.gz WDZHDVCCYZLFGX-LQDRYOBXSA-N 0 0 388.548 5.203 50 0 GKAARN CC(C)Oc1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000006307234 570367284 /nfs/dbraw/zinc/36/72/84/570367284.db2.gz LUJJPUDLLKUQLX-UHFFFAOYSA-N 0 0 395.509 5.459 50 0 GKAARN Cc1ccc(C(=O)Nc2cc3c4c(c2)[C@H]2CCC[C@@H]2CN4C[C@H]2CCC[C@H]32)cc1 ZINC000004320318 570367513 /nfs/dbraw/zinc/36/75/13/570367513.db2.gz CGPSPHOKEVZXFM-WKDRNLAYSA-N 0 0 386.539 5.848 50 0 GKAARN CCOc1ccccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000006303812 570367654 /nfs/dbraw/zinc/36/76/54/570367654.db2.gz HRBZBAGTRUGDQO-UHFFFAOYSA-N 0 0 387.435 5.663 50 0 GKAARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cn1 ZINC000118921982 570368090 /nfs/dbraw/zinc/36/80/90/570368090.db2.gz VWKJCCARGYKAHQ-DVQVTGRSSA-N 0 0 382.592 5.690 50 0 GKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2ncsc2c1 ZINC000023660745 570368872 /nfs/dbraw/zinc/36/88/72/570368872.db2.gz XBOSREYWCXJPBQ-UHFFFAOYSA-N 0 0 394.521 5.209 50 0 GKAARN CC(C)n1c2ccc(C(F)(F)F)cc2nc1SCc1ccc(Cl)cc1 ZINC000004339211 570369468 /nfs/dbraw/zinc/36/94/68/570369468.db2.gz LKFDLARKWQLDKG-UHFFFAOYSA-N 0 0 384.854 6.582 50 0 GKAARN CC(C)c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 ZINC000004343842 570369708 /nfs/dbraw/zinc/36/97/08/570369708.db2.gz BMCOQLBJRKTNLQ-CJFMBICVSA-N 0 0 385.532 6.786 50 0 GKAARN O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12N=NC[C@H]2c1ccc(Cl)cc1 ZINC000004343400 570369712 /nfs/dbraw/zinc/36/97/12/570369712.db2.gz OAQHVOFDSXZHLQ-WWPVKYPJSA-N 0 0 388.854 5.645 50 0 GKAARN Cc1cc(C)c(NC(=S)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000004347979 570370127 /nfs/dbraw/zinc/37/01/27/570370127.db2.gz GZHGYPZWCBRBFN-QGZVFWFLSA-N 0 0 398.572 5.190 50 0 GKAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000004349403 570370302 /nfs/dbraw/zinc/37/03/02/570370302.db2.gz DHIUQGRWKKLBOW-UHFFFAOYSA-N 0 0 375.299 5.240 50 0 GKAARN COc1ccc([C@@H]2SC2(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000004350207 570370351 /nfs/dbraw/zinc/37/03/51/570370351.db2.gz CHIZQMMDEYDLML-QFIPXVFZSA-N 0 0 378.493 5.444 50 0 GKAARN FC(F)(F)c1cccc(Nc2c3cc(Cl)ccc3nc3c2CCCC3)c1 ZINC000004923924 570370558 /nfs/dbraw/zinc/37/05/58/570370558.db2.gz AELNHBOUBMVYSC-UHFFFAOYSA-N 0 0 376.809 6.529 50 0 GKAARN CCc1cccc(C)c1NC(=S)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004925161 570370638 /nfs/dbraw/zinc/37/06/38/570370638.db2.gz AEFLRQJPWLCCCK-UHFFFAOYSA-N 0 0 377.557 5.404 50 0 GKAARN Cc1ccc(-n2c(SCc3ccccc3F)nnc2-c2cccc(C)c2)cc1 ZINC000004365631 570371014 /nfs/dbraw/zinc/37/10/14/570371014.db2.gz PTDPWXCFAZOPAJ-UHFFFAOYSA-N 0 0 389.499 5.983 50 0 GKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccco2)cc1 ZINC000004928788 570371239 /nfs/dbraw/zinc/37/12/39/570371239.db2.gz KKUVXPIKPFEHEB-OAQYLSRUSA-N 0 0 389.842 5.381 50 0 GKAARN Cc1ccc(N2C(=O)c3n[nH]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccco2)cc1 ZINC000004928789 570371340 /nfs/dbraw/zinc/37/13/40/570371340.db2.gz KKUVXPIKPFEHEB-NRFANRHFSA-N 0 0 389.842 5.381 50 0 GKAARN COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC ZINC000575624003 570371487 /nfs/dbraw/zinc/37/14/87/570371487.db2.gz PEKZLFZZBGBOPJ-UHFFFAOYSA-N 0 0 387.439 5.491 50 0 in-vitro GKAARN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)NCCCOC(C)C)ccc1S2 ZINC000004930033 570371551 /nfs/dbraw/zinc/37/15/51/570371551.db2.gz JIIBYNGWXHEGBR-UHFFFAOYSA-N 0 0 382.529 5.145 50 0 GKAARN CCC1=Nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Sc2ccccc21 ZINC000004929405 570371695 /nfs/dbraw/zinc/37/16/95/570371695.db2.gz BOBHPQWSSXTORP-MRXNPFEDSA-N 0 0 386.520 6.173 50 0 GKAARN CCCC1=Nc2cc(C(=O)NCCCOC(C)C)ccc2Sc2ccccc21 ZINC000004929687 570371734 /nfs/dbraw/zinc/37/17/34/570371734.db2.gz YKEXPJRZPYKXOF-UHFFFAOYSA-N 0 0 396.556 5.617 50 0 GKAARN CCCCCCNc1ncnc2c1S[C@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 ZINC000006310006 570372407 /nfs/dbraw/zinc/37/24/07/570372407.db2.gz XRUDZQMRWWYRQL-PGRDOPGGSA-N 0 0 384.593 6.110 50 0 GKAARN O=C(c1ccc(Cl)cc1)N(Cc1cccs1)Cc1ccc(Cl)cc1 ZINC000004382774 570372485 /nfs/dbraw/zinc/37/24/85/570372485.db2.gz ZWCVLBGORBCWEO-UHFFFAOYSA-N 0 0 376.308 5.898 50 0 GKAARN CCCCCCNc1ncnc2c1S[C@@H]1N=C(CCCC)C3=C(CCC3)[C@@H]21 ZINC000006310008 570372653 /nfs/dbraw/zinc/37/26/53/570372653.db2.gz 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ZINC000004390747 570373487 /nfs/dbraw/zinc/37/34/87/570373487.db2.gz AGFYQMNJMOSMHR-UHFFFAOYSA-N 0 0 388.241 7.111 50 0 GKAARN Cc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1C ZINC000004935348 570373754 /nfs/dbraw/zinc/37/37/54/570373754.db2.gz GTZVKFLYFSVRPQ-UHFFFAOYSA-N 0 0 398.510 5.201 50 0 GKAARN Cn1c(/C=C(/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 ZINC000004418806 570374477 /nfs/dbraw/zinc/37/44/77/570374477.db2.gz SBKMTBNACNYRHF-KGENOOAVSA-N 0 0 390.389 5.207 50 0 GKAARN Cc1cc(C)cc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)c1 ZINC000004937737 570374599 /nfs/dbraw/zinc/37/45/99/570374599.db2.gz HHBGAXSDFZBVDO-VHXPQNKSSA-N 0 0 389.476 5.115 50 0 GKAARN Cc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004937761 570374620 /nfs/dbraw/zinc/37/46/20/570374620.db2.gz WQBLTIIZKRACLX-VHXPQNKSSA-N 0 0 389.476 5.115 50 0 GKAARN C[C@H](Oc1ccccc1F)c1nnc(SCc2nc3ccccc3s2)o1 ZINC000004937773 570374690 /nfs/dbraw/zinc/37/46/90/570374690.db2.gz QPBIKCNUUKXJAO-NSHDSACASA-N 0 0 387.461 5.251 50 0 GKAARN COC(=O)c1ccccc1NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938159 570374730 /nfs/dbraw/zinc/37/47/30/570374730.db2.gz YGMWWEYVDCJUJA-UHFFFAOYSA-N 0 0 396.855 5.142 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938070 570374745 /nfs/dbraw/zinc/37/47/45/570374745.db2.gz TYMKXJIDAXQLCB-UHFFFAOYSA-N 0 0 395.896 5.965 50 0 GKAARN CC(C)N(Cc1ccccc1)C(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938476 570374927 /nfs/dbraw/zinc/37/49/27/570374927.db2.gz WFHKGJYAIZCOKE-UHFFFAOYSA-N 0 0 394.927 6.154 50 0 GKAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000023912265 570374997 /nfs/dbraw/zinc/37/49/97/570374997.db2.gz AXKLQGWNDTUZKE-KRWDZBQOSA-N 0 0 383.495 5.192 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938396 570374986 /nfs/dbraw/zinc/37/49/86/570374986.db2.gz OCHFQKWWWXDUND-AWEZNQCLSA-N 0 0 394.927 5.854 50 0 GKAARN COc1ccccc1[C@@H](C)N[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000023955510 570375543 /nfs/dbraw/zinc/37/55/43/570375543.db2.gz WLBYVSGCKDROEZ-OSPHWJPCSA-N 0 0 384.479 5.451 50 0 GKAARN CCc1ccc(N(CC)C(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1 ZINC000004939391 570375644 /nfs/dbraw/zinc/37/56/44/570375644.db2.gz MGOUMWAJKIBZNM-UHFFFAOYSA-N 0 0 391.492 5.545 50 0 GKAARN Cc1ccc2oc(=O)c3cc(C(=O)N(C)c4ccccc4Cl)sc3c2c1 ZINC000004939416 570375712 /nfs/dbraw/zinc/37/57/12/570375712.db2.gz VVXYZVWEKMYVRI-UHFFFAOYSA-N 0 0 383.856 5.246 50 0 GKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(F)cc1 ZINC000004451739 570375726 /nfs/dbraw/zinc/37/57/26/570375726.db2.gz PLTHCBBZEADQJT-VWLOTQADSA-N 0 0 388.486 6.353 50 0 GKAARN O=C(c1c[nH]c2ccccc12)[C@H](N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000023956110 570375982 /nfs/dbraw/zinc/37/59/82/570375982.db2.gz UPFCETRJPVBKGT-LADGPHEKSA-N 0 0 382.463 5.205 50 0 GKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000006313467 570376071 /nfs/dbraw/zinc/37/60/71/570376071.db2.gz CPBVBHYGVULKMV-UHFFFAOYSA-N 0 0 375.468 6.037 50 0 GKAARN Cc1ccc2oc(=O)c3cc(C(=O)N[C@@H](C)CCc4ccccc4)sc3c2c1 ZINC000004939527 570376677 /nfs/dbraw/zinc/37/66/77/570376677.db2.gz VFCKUSROUWRVBF-HNNXBMFYSA-N 0 0 391.492 5.067 50 0 GKAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)c2cc(C)ccc2C)c1 ZINC000006315322 570376788 /nfs/dbraw/zinc/37/67/88/570376788.db2.gz PJKMLLGMUANDNJ-UHFFFAOYSA-N 0 0 386.520 5.926 50 0 GKAARN Cc1cccc(-n2c3ccccc3nc2SCc2ccc(C(C)(C)C)cc2)c1 ZINC000006315326 570376795 /nfs/dbraw/zinc/37/67/95/570376795.db2.gz MWMWLOWUZYXRCY-UHFFFAOYSA-N 0 0 386.564 6.924 50 0 GKAARN CCN(CC)c1ccc(-c2nnc(SCc3cc(C)ccc3OC)o2)cc1 ZINC000008395270 570376805 /nfs/dbraw/zinc/37/68/05/570376805.db2.gz WURDIAUUKIUVES-UHFFFAOYSA-N 0 0 383.517 5.192 50 0 GKAARN Cc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012770399 570377030 /nfs/dbraw/zinc/37/70/30/570377030.db2.gz POYAGHDJXHITPX-OUKQBFOZSA-N 0 0 390.527 5.009 50 0 GKAARN COc1ccc2[nH]cc(CCNC(=O)c3sc4ccccc4c3Cl)c2c1 ZINC000004487705 570378058 /nfs/dbraw/zinc/37/80/58/570378058.db2.gz ODRZPROYFVNIEQ-UHFFFAOYSA-N 0 0 384.888 5.017 50 0 GKAARN Cc1cccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)c1 ZINC000035503813 570378435 /nfs/dbraw/zinc/37/84/35/570378435.db2.gz MSSYNKHDDBVZKT-UHFFFAOYSA-N 0 0 379.419 5.016 50 0 GKAARN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)c1 ZINC000035504190 570378618 /nfs/dbraw/zinc/37/86/18/570378618.db2.gz FMAKHPXVNSGATK-UHFFFAOYSA-N 0 0 395.260 5.173 50 0 GKAARN O=C(CCCOc1ccc(Cl)cc1Cl)NCCCCc1ccccc1 ZINC000004946938 570378778 /nfs/dbraw/zinc/37/87/78/570378778.db2.gz UGBVSADWNNJJPD-UHFFFAOYSA-N 0 0 380.315 5.292 50 0 GKAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)n1C ZINC000004947865 570378793 /nfs/dbraw/zinc/37/87/93/570378793.db2.gz UVYAYRVPUMIVAJ-AWEZNQCLSA-N 0 0 383.517 5.045 50 0 GKAARN CCOc1ccc(-n2c3ccccc3nc2SCCc2ccncc2)cc1 ZINC000089267750 570379843 /nfs/dbraw/zinc/37/98/43/570379843.db2.gz PEKDALJTRLOHLH-UHFFFAOYSA-N 0 0 375.497 5.154 50 0 GKAARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc4ccccc43)C12 ZINC000102674003 570380212 /nfs/dbraw/zinc/38/02/12/570380212.db2.gz VFIWKOXMMBVNCD-NYHFZMIOSA-N 0 0 398.491 5.558 50 0 GKAARN C[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc(Cl)cc1 ZINC000024209111 570380759 /nfs/dbraw/zinc/38/07/59/570380759.db2.gz YKWLFFZQWPQUIG-CYBMUJFWSA-N 0 0 395.915 5.156 50 0 GKAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000033580760 570380845 /nfs/dbraw/zinc/38/08/45/570380845.db2.gz BDVRMUXWLOJMHR-VWLOTQADSA-N 0 0 395.506 5.895 50 0 GKAARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 ZINC000006718442 570380967 /nfs/dbraw/zinc/38/09/67/570380967.db2.gz PAFKTGFSEFKSQG-PAASFTFBSA-N 0 0 388.555 5.811 50 0 investigational GKAARN CCCCOc1ccc(-c2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000004952391 570381139 /nfs/dbraw/zinc/38/11/39/570381139.db2.gz BSTZVMYSQCTWQQ-UHFFFAOYSA-N 0 0 397.522 6.397 50 0 GKAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 ZINC000004952331 570381280 /nfs/dbraw/zinc/38/12/80/570381280.db2.gz QIJKJEQOIMRNLN-UHFFFAOYSA-N 0 0 396.494 5.122 50 0 GKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C/C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000004521515 570381397 /nfs/dbraw/zinc/38/13/97/570381397.db2.gz HTJZKHLYRXPLLS-NGHDTEGZSA-N 0 0 392.580 5.551 50 0 GKAARN CCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccccc1F ZINC000004958459 570381339 /nfs/dbraw/zinc/38/13/39/570381339.db2.gz YTTHBOMEGXVFMU-UHFFFAOYSA-N 0 0 382.866 5.573 50 0 GKAARN CCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1cccc(C)c1 ZINC000004958484 570381486 /nfs/dbraw/zinc/38/14/86/570381486.db2.gz IYOISVHKYWCLDM-UHFFFAOYSA-N 0 0 378.903 5.742 50 0 GKAARN Cc1cccc(CCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)c1 ZINC000004958578 570381538 /nfs/dbraw/zinc/38/15/38/570381538.db2.gz HARLFWYCZBZNMJ-UHFFFAOYSA-N 0 0 378.903 5.048 50 0 GKAARN CCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 ZINC000004525946 570381986 /nfs/dbraw/zinc/38/19/86/570381986.db2.gz XLEHKSBNOQWWPC-UHFFFAOYSA-N 0 0 388.294 6.556 50 0 GKAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1Cl ZINC000004960476 570382050 /nfs/dbraw/zinc/38/20/50/570382050.db2.gz NAGWJPDLCWEFPY-OAQYLSRUSA-N 0 0 378.859 5.115 50 0 GKAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)c3ccc(F)cc3)cc12 ZINC000035509920 570382255 /nfs/dbraw/zinc/38/22/55/570382255.db2.gz QXBGOVPQDPJRIE-UHFFFAOYSA-N 0 0 399.878 5.465 50 0 GKAARN C1=C\c2ccc(cc2)CSCc2ccc(s2)CSCc2ccc/1cc2 ZINC000004532750 570382240 /nfs/dbraw/zinc/38/22/40/570382240.db2.gz OVEOABSJVQENCT-UPHRSURJSA-N 0 0 380.603 7.099 50 0 GKAARN O=C1c2ccccc2[C@H](Nc2ccc(Cl)cc2Cl)N1Cc1ccccc1 ZINC000004960788 570382325 /nfs/dbraw/zinc/38/23/25/570382325.db2.gz WDOLSBMCVHSQCD-HXUWFJFHSA-N 0 0 383.278 5.760 50 0 GKAARN O=C1c2ccccc2[C@H](Nc2ccc(Br)cc2)N1Cc1ccccc1 ZINC000004960763 570382352 /nfs/dbraw/zinc/38/23/52/570382352.db2.gz BTSNPRDZCDYPMN-HXUWFJFHSA-N 0 0 393.284 5.216 50 0 GKAARN O=C(CCc1ccco1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000024352055 570382348 /nfs/dbraw/zinc/38/23/48/570382348.db2.gz XJDMBHFIALUOQB-IBGZPJMESA-N 0 0 392.886 5.295 50 0 GKAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)c(Cl)c1 ZINC000004961363 570382658 /nfs/dbraw/zinc/38/26/58/570382658.db2.gz IWSSJVZZHULKRG-HXUWFJFHSA-N 0 0 383.278 6.073 50 0 GKAARN CSc1cccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000004961358 570382692 /nfs/dbraw/zinc/38/26/92/570382692.db2.gz LHWWQEUQUXFZGJ-FQEVSTJZSA-N 0 0 380.900 5.833 50 0 GKAARN CCOc1ccccc1N[C@H]1c2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000004961356 570382721 /nfs/dbraw/zinc/38/27/21/570382721.db2.gz XFXDYTDQDMXTLQ-OAQYLSRUSA-N 0 0 378.859 5.510 50 0 GKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N(C)c4ccccc4F)sc3c2c1 ZINC000004961594 570383021 /nfs/dbraw/zinc/38/30/21/570383021.db2.gz YIKWZGQGQUPDRF-UHFFFAOYSA-N 0 0 384.863 5.827 50 0 GKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N[C@@H](C)CCc4ccco4)sc3c2c1 ZINC000004961659 570383084 /nfs/dbraw/zinc/38/30/84/570383084.db2.gz LOFLPQFPQCWHFH-ZDUSSCGKSA-N 0 0 398.915 5.755 50 0 GKAARN Cc1ccc2nc(Cl)c3cc(C(=O)N4CCc5ccccc5C4)sc3c2c1 ZINC000004961642 570383094 /nfs/dbraw/zinc/38/30/94/570383094.db2.gz NLUILUQUUIAIRZ-UHFFFAOYSA-N 0 0 392.911 5.610 50 0 GKAARN O=C(CCn1ccc2ccccc21)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024385272 570383098 /nfs/dbraw/zinc/38/30/98/570383098.db2.gz QZYVDCADUDQRLN-FQEVSTJZSA-N 0 0 389.524 5.395 50 0 GKAARN Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(C)c1 ZINC000024456106 570384189 /nfs/dbraw/zinc/38/41/89/570384189.db2.gz KENLECPGEHBPLE-UHFFFAOYSA-N 0 0 389.417 5.057 50 0 GKAARN Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N3CCCCC3)c2c1 ZINC000004555252 570384406 /nfs/dbraw/zinc/38/44/06/570384406.db2.gz UFJIFGWQCLMUDF-UHFFFAOYSA-N 0 0 392.930 6.107 50 0 GKAARN Clc1cccc(Cl)c1[C@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000101230635 570384491 /nfs/dbraw/zinc/38/44/91/570384491.db2.gz PINSVEAHVZLONM-AZUAARDMSA-N 0 0 394.305 6.489 50 0 GKAARN O[C@](c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1cccc2ccccc21 ZINC000004566068 570384912 /nfs/dbraw/zinc/38/49/12/570384912.db2.gz UKINYWKVNYJUIK-GDLZYMKVSA-N 0 0 386.494 6.791 50 0 GKAARN CCc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000004969973 570384926 /nfs/dbraw/zinc/38/49/26/570384926.db2.gz XSLCKLDOLWPYRZ-UHFFFAOYSA-N 0 0 383.882 6.457 50 0 GKAARN Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970034 570384952 /nfs/dbraw/zinc/38/49/52/570384952.db2.gz DTOZKBXKLYMIQL-UHFFFAOYSA-N 0 0 383.882 6.511 50 0 GKAARN COc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1 ZINC000004969930 570385022 /nfs/dbraw/zinc/38/50/22/570385022.db2.gz HQHOJXXFYNLHIN-UHFFFAOYSA-N 0 0 385.854 5.903 50 0 GKAARN Fc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1 ZINC000004969914 570385039 /nfs/dbraw/zinc/38/50/39/570385039.db2.gz ATMFKEDZZGEXJY-UHFFFAOYSA-N 0 0 391.808 6.172 50 0 GKAARN COc1cc(-c2ccccc2O)ccc1-c1ccc(-c2cccc(O)c2)c(OC)c1 ZINC000004566065 570385091 /nfs/dbraw/zinc/38/50/91/570385091.db2.gz ZRQDGJOZFKMLPH-UHFFFAOYSA-N 0 0 398.458 6.116 50 0 GKAARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc(F)c4)c3c2c1 ZINC000004970000 570385077 /nfs/dbraw/zinc/38/50/77/570385077.db2.gz PQQZUFACFAMCMM-UHFFFAOYSA-N 0 0 381.454 6.251 50 0 GKAARN Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1 ZINC000004969985 570385116 /nfs/dbraw/zinc/38/51/16/570385116.db2.gz ONPLKDCPPFDGCK-UHFFFAOYSA-N 0 0 379.419 5.278 50 0 GKAARN CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000004969969 570385130 /nfs/dbraw/zinc/38/51/30/570385130.db2.gz ZOWBOYICDAECBV-UHFFFAOYSA-N 0 0 377.491 6.420 50 0 GKAARN COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3c2cc1OC ZINC000004970123 570385268 /nfs/dbraw/zinc/38/52/68/570385268.db2.gz AUCPSMHOIDUFBS-UHFFFAOYSA-N 0 0 399.425 5.397 50 0 GKAARN Cc1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)c1C ZINC000004970214 570385287 /nfs/dbraw/zinc/38/52/87/570385287.db2.gz AUXRIEQXDZTOQW-UHFFFAOYSA-N 0 0 385.417 6.136 50 0 GKAARN Fc1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000004970177 570385397 /nfs/dbraw/zinc/38/53/97/570385397.db2.gz JCEYVHSJSBYAFB-UHFFFAOYSA-N 0 0 383.382 5.109 50 0 GKAARN CCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccccc32)cc1 ZINC000004970247 570385622 /nfs/dbraw/zinc/38/56/22/570385622.db2.gz IFHIWVJXVHOMBP-UHFFFAOYSA-N 0 0 379.463 5.812 50 0 GKAARN CCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970352 570385641 /nfs/dbraw/zinc/38/56/41/570385641.db2.gz MIXDGWIXVRGFFO-UHFFFAOYSA-N 0 0 397.453 6.087 50 0 GKAARN CCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000004970264 570385716 /nfs/dbraw/zinc/38/57/16/570385716.db2.gz WHGCRSINRUGYRF-UHFFFAOYSA-N 0 0 385.417 6.081 50 0 GKAARN Cc1ccccc1CSC[C@H]1COC(c2cccn2Cc2ccc(F)cc2)=N1 ZINC000004970828 570386234 /nfs/dbraw/zinc/38/62/34/570386234.db2.gz WAMYTOAZVJKXJL-OAQYLSRUSA-N 0 0 394.515 5.063 50 0 GKAARN Cc1ccc(CSC[C@@H]2COC(c3cccn3Cc3cccc(C)c3)=N2)cc1 ZINC000004970945 570386307 /nfs/dbraw/zinc/38/63/07/570386307.db2.gz JLMVRYMOFGUOHW-QFIPXVFZSA-N 0 0 390.552 5.232 50 0 GKAARN O=C(Nc1ccnn1Cc1ccccc1Cl)c1cc2ccccc2c(Cl)n1 ZINC000024575381 570386434 /nfs/dbraw/zinc/38/64/34/570386434.db2.gz JZGCJGJMUDBAAN-UHFFFAOYSA-N 0 0 397.265 5.039 50 0 GKAARN Cc1ccc(CSC[C@@H]2COC(c3cccn3Cc3ccc(C)cc3)=N2)cc1 ZINC000004970972 570386443 /nfs/dbraw/zinc/38/64/43/570386443.db2.gz IJMXYXDRNXDPHI-QFIPXVFZSA-N 0 0 390.552 5.232 50 0 GKAARN COc1ccc(C)cc1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000004972059 570386885 /nfs/dbraw/zinc/38/68/85/570386885.db2.gz VSYSPBPFOZLVNV-UHFFFAOYSA-N 0 0 385.419 5.029 50 0 GKAARN CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000004599954 570386856 /nfs/dbraw/zinc/38/68/56/570386856.db2.gz YBIOIMORGSGCNP-PXLXIMEGSA-N 0 0 399.519 5.521 50 0 GKAARN Cc1cccc(OCc2nc3ccccc3n2CC(=O)Nc2c(C)cccc2C)c1 ZINC000031903556 570386989 /nfs/dbraw/zinc/38/69/89/570386989.db2.gz UOAKRVZAJLFPBL-UHFFFAOYSA-N 0 0 399.494 5.179 50 0 GKAARN Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004610394 570387223 /nfs/dbraw/zinc/38/72/23/570387223.db2.gz OTTJLNLTIJULJA-UHFFFAOYSA-N 0 0 389.520 5.525 50 0 GKAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000004611043 570387415 /nfs/dbraw/zinc/38/74/15/570387415.db2.gz QTWUVGLIVZCJOB-UHFFFAOYSA-N 0 0 395.311 5.709 50 0 GKAARN COc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1OC ZINC000004614460 570387584 /nfs/dbraw/zinc/38/75/84/570387584.db2.gz FBOOABNBHJFPOZ-UHFFFAOYSA-N 0 0 379.481 5.248 50 0 GKAARN CCCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CCCC2 ZINC000004612007 570387652 /nfs/dbraw/zinc/38/76/52/570387652.db2.gz UFQGCZVNGCZGQB-UHFFFAOYSA-N 0 0 393.508 5.599 50 0 GKAARN Cc1ccc(-c2nc3ccccc3c(C(=O)NC3CCCCCCC3)c2C)cc1 ZINC000004612003 570387670 /nfs/dbraw/zinc/38/76/70/570387670.db2.gz COQRPHLEXHDBMA-UHFFFAOYSA-N 0 0 386.539 6.361 50 0 GKAARN Cc1ccc(-c2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)no2)cc1 ZINC000526052266 570388172 /nfs/dbraw/zinc/38/81/72/570388172.db2.gz MNZQCURQRPSHLJ-UHFFFAOYSA-N 0 0 392.842 5.493 50 0 GKAARN COc1ccc2nc(NC(=O)c3cc(C)c(-c4ccccc4)s3)sc2c1 ZINC000526052483 570388218 /nfs/dbraw/zinc/38/82/18/570388218.db2.gz SXJHRIOJKYMITE-UHFFFAOYSA-N 0 0 380.494 5.594 50 0 GKAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccccc2)on1 ZINC000526052277 570388234 /nfs/dbraw/zinc/38/82/34/570388234.db2.gz PDSDDQPMNQYQKF-UHFFFAOYSA-N 0 0 378.815 5.185 50 0 GKAARN Fc1ccccc1OCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000004618942 570388324 /nfs/dbraw/zinc/38/83/24/570388324.db2.gz XBNORZVRUFQMGE-UHFFFAOYSA-N 0 0 390.483 6.054 50 0 GKAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3)csc21 ZINC000035511610 570388321 /nfs/dbraw/zinc/38/83/21/570388321.db2.gz FZXHDCWBBRGZGG-INIZCTEOSA-N 0 0 379.481 5.297 50 0 GKAARN COc1ccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1OC ZINC000004979965 570388621 /nfs/dbraw/zinc/38/86/21/570388621.db2.gz ZWJVHRZRRIDJLC-UHFFFAOYSA-N 0 0 391.854 5.508 50 0 GKAARN CN(C(=O)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1)C1CCCCC1 ZINC000035511813 570388639 /nfs/dbraw/zinc/38/86/39/570388639.db2.gz PAPXXKBXESPVLK-UHFFFAOYSA-N 0 0 392.547 5.293 50 0 GKAARN CCOc1cccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)c1O ZINC000004631181 570389046 /nfs/dbraw/zinc/38/90/46/570389046.db2.gz NFZSHIIXXJHQGK-BMRADRMJSA-N 0 0 397.474 6.089 50 0 GKAARN CC(C)(C)c1cc(CCCOC(=O)CNc2ccccc2)cc(C(C)(C)C)c1O ZINC000004644750 570389081 /nfs/dbraw/zinc/38/90/81/570389081.db2.gz AYDWGVUMYPJPTJ-UHFFFAOYSA-N 0 0 397.559 5.575 50 0 biogenic GKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccccn2)nc2ccccc21 ZINC000032101705 570389147 /nfs/dbraw/zinc/38/91/47/570389147.db2.gz ZIAFMQJNKQSZTE-UHFFFAOYSA-N 0 0 394.261 5.856 50 0 GKAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NC4CCCCC4)c3)nc2)c1 ZINC000035514239 570389221 /nfs/dbraw/zinc/38/92/21/570389221.db2.gz MEUSDGXQCPZJAV-UHFFFAOYSA-N 0 0 386.499 5.258 50 0 GKAARN Clc1ccc2c(c1)C1=Nc3ccccc3S[C@@H](c3cccs3)[C@H]1CO2 ZINC000004648764 570389399 /nfs/dbraw/zinc/38/93/99/570389399.db2.gz FZTQSRLMUIWSRN-VBKZILBWSA-N 0 0 383.925 6.378 50 0 GKAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000035515032 570389489 /nfs/dbraw/zinc/38/94/89/570389489.db2.gz WJAYNIYDLCLJEL-QGZVFWFLSA-N 0 0 383.451 5.011 50 0 GKAARN Clc1cc(Br)ccc1OCc1nnc(/C=C/c2cccs2)o1 ZINC000004657204 570390021 /nfs/dbraw/zinc/39/00/21/570390021.db2.gz FCHQODDRGOLLKL-GQCTYLIASA-N 0 0 397.681 5.296 50 0 GKAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc2ccccc21 ZINC000004659206 570390112 /nfs/dbraw/zinc/39/01/12/570390112.db2.gz GQHPIUZDEMLSEP-UHFFFAOYSA-N 0 0 385.850 5.977 50 0 GKAARN Cc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)c(C)c1 ZINC000035534881 570390168 /nfs/dbraw/zinc/39/01/68/570390168.db2.gz JKBPRIUGRSZCIH-UHFFFAOYSA-N 0 0 383.904 5.215 50 0 GKAARN Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4Cl)cc(C)c3O)nc2c1 ZINC000004988526 570390218 /nfs/dbraw/zinc/39/02/18/570390218.db2.gz RXWYIXALTUGWNK-UHFFFAOYSA-N 0 0 392.842 5.723 50 0 GKAARN CC[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000004660010 570390340 /nfs/dbraw/zinc/39/03/40/570390340.db2.gz QWRCKYIOMVSZKX-IBGZPJMESA-N 0 0 392.886 5.725 50 0 GKAARN O=C1c2ccccc2[C@@H](Nc2ccc(Cl)cc2)N1Cc1ccccc1Cl ZINC000004991997 570390591 /nfs/dbraw/zinc/39/05/91/570390591.db2.gz PNBCATNNYIDFMW-FQEVSTJZSA-N 0 0 383.278 5.760 50 0 GKAARN CCOc1ccc(NC(=O)N(Cc2c[nH]c3ccccc23)C2CCCCC2)cc1 ZINC000004990659 570390646 /nfs/dbraw/zinc/39/06/46/570390646.db2.gz IOTZVRVZAOVRDO-UHFFFAOYSA-N 0 0 391.515 5.933 50 0 GKAARN Cc1ccccc1NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000023136582 570390693 /nfs/dbraw/zinc/39/06/93/570390693.db2.gz RAHBFKCNLGUSCX-UHFFFAOYSA-N 0 0 391.418 5.395 50 0 GKAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1C ZINC000004660873 570390700 /nfs/dbraw/zinc/39/07/00/570390700.db2.gz GYYONLFFDRQVTB-CYBMUJFWSA-N 0 0 383.513 5.284 50 0 GKAARN O=C(Nc1ccccc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000004661103 570390712 /nfs/dbraw/zinc/39/07/12/570390712.db2.gz RCPQMDPRNBTMPV-ALQIVBFESA-N 0 0 394.518 6.235 50 0 GKAARN CCCCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000033644962 570390764 /nfs/dbraw/zinc/39/07/64/570390764.db2.gz CKDQNQHCYODVQP-MSUUIHNZSA-N 0 0 387.527 5.510 50 0 GKAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(Br)c(C)c1 ZINC000035536550 570390856 /nfs/dbraw/zinc/39/08/56/570390856.db2.gz QPCDJPYSPCEPPZ-UHFFFAOYSA-N 0 0 389.224 5.112 50 0 GKAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000004664746 570390951 /nfs/dbraw/zinc/39/09/51/570390951.db2.gz RJCUVTSPLCJZSI-ATVHPVEESA-N 0 0 381.840 5.429 50 0 GKAARN O=C(NC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000004664769 570390989 /nfs/dbraw/zinc/39/09/89/570390989.db2.gz QBXRDPJUNOOKIT-UHFFFAOYSA-N 0 0 377.487 5.724 50 0 GKAARN COc1cc(Cl)c(C)cc1N[C@H]1c2ccccc2C(=O)N1c1ccccc1C ZINC000004992384 570391010 /nfs/dbraw/zinc/39/10/10/570391010.db2.gz GAWPKVVKISTXQF-JOCHJYFZSA-N 0 0 392.886 5.737 50 0 GKAARN COc1ccc(C(=O)Nc2ccc(-c3noc(/C=C/c4ccccc4)n3)cc2)cc1 ZINC000004670668 570391772 /nfs/dbraw/zinc/39/17/72/570391772.db2.gz TZKBSSZCXHUOER-FRKPEAEDSA-N 0 0 397.434 5.168 50 0 GKAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000006342135 570391843 /nfs/dbraw/zinc/39/18/43/570391843.db2.gz RVFNQEWVAPKYOM-LLVKDONJSA-N 0 0 376.840 5.009 50 0 GKAARN CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1 ZINC000004671130 570391919 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Cc1cccc(-c2nccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)n2)c1 ZINC000035527212 570392461 /nfs/dbraw/zinc/39/24/61/570392461.db2.gz RZKNWWKACHPOPB-UHFFFAOYSA-N 0 0 381.435 5.497 50 0 GKAARN O=C(NC1CCCCC1)c1ccc(Oc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000035527254 570392503 /nfs/dbraw/zinc/39/25/03/570392503.db2.gz AXLJUEDTAGCIDS-UHFFFAOYSA-N 0 0 391.446 5.138 50 0 GKAARN O=C(NCc1ccccc1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000035527289 570392611 /nfs/dbraw/zinc/39/26/11/570392611.db2.gz XZJHJAMCFNNSFU-UHFFFAOYSA-N 0 0 399.425 5.005 50 0 GKAARN O=C(NC1CCCCC1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000035527285 570392615 /nfs/dbraw/zinc/39/26/15/570392615.db2.gz AKMZTBOSNMOXHN-UHFFFAOYSA-N 0 0 391.446 5.138 50 0 GKAARN CC(C)CC(=O)Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000024769238 570392690 /nfs/dbraw/zinc/39/26/90/570392690.db2.gz ABLSETDOAPQXAX-UHFFFAOYSA-N 0 0 384.907 5.385 50 0 GKAARN CC(=O)Nc1cc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)ccc1C ZINC000035527588 570392823 /nfs/dbraw/zinc/39/28/23/570392823.db2.gz 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570422858 /nfs/dbraw/zinc/42/28/58/570422858.db2.gz KHZXTCFDHQFOSC-UHFFFAOYSA-N 0 0 398.409 6.234 50 0 GKAARN Cc1cc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c(C)c1 ZINC000026158813 570422949 /nfs/dbraw/zinc/42/29/49/570422949.db2.gz WCBXSCUWCSCJIL-UHFFFAOYSA-N 0 0 377.463 5.068 50 0 GKAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(Br)c2)cc1 ZINC000001775865 570422997 /nfs/dbraw/zinc/42/29/97/570422997.db2.gz GKVIUYCUSGNXPR-UHFFFAOYSA-N 0 0 390.321 5.544 50 0 GKAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000001776891 570423126 /nfs/dbraw/zinc/42/31/26/570423126.db2.gz BXDBLOJXTIQNKD-UHFFFAOYSA-N 0 0 394.780 5.827 50 0 GKAARN CCCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(C)cccc32)c1 ZINC000001775423 570423155 /nfs/dbraw/zinc/42/31/55/570423155.db2.gz AUEKVSOGLJONJQ-UHFFFAOYSA-N 0 0 392.455 5.030 50 0 GKAARN Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)c(Cl)c1 ZINC000005131870 570423219 /nfs/dbraw/zinc/42/32/19/570423219.db2.gz LYLNBNUSVNWGJG-UHFFFAOYSA-N 0 0 394.883 5.618 50 0 GKAARN Cc1c(C(=O)Nc2cccc(Cl)c2F)sc2nc(C3CC3)nc(C)c12 ZINC000026214488 570423384 /nfs/dbraw/zinc/42/33/84/570423384.db2.gz KERKUTSEEICAIW-UHFFFAOYSA-N 0 0 375.856 5.230 50 0 GKAARN CCCCN(C)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000001780601 570423478 /nfs/dbraw/zinc/42/34/78/570423478.db2.gz IYHIKKHYNOSVBX-UHFFFAOYSA-N 0 0 388.540 5.632 50 0 GKAARN CCc1ccc2nc(Cl)c([C@@H]3Nc4sc5c(c4C(=O)N3)CCCC5)cc2c1 ZINC000005007455 570423556 /nfs/dbraw/zinc/42/35/56/570423556.db2.gz KUZQKTCDYRQDHS-IBGZPJMESA-N 0 0 397.931 5.245 50 0 GKAARN COc1ccccc1-c1coc2cc(OCc3cccc(Cl)c3)ccc2c1=O ZINC000001782009 570423642 /nfs/dbraw/zinc/42/36/42/570423642.db2.gz BKPBSSQOJJDBKC-UHFFFAOYSA-N 0 0 392.838 5.701 50 0 biogenic GKAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(OC(C)C)cc1 ZINC000005136975 570423714 /nfs/dbraw/zinc/42/37/14/570423714.db2.gz OMSJBCPZRLWDLC-UHFFFAOYSA-N 0 0 398.503 5.017 50 0 GKAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1nc2ccccc2s1 ZINC000006440940 570423806 /nfs/dbraw/zinc/42/38/06/570423806.db2.gz 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ZINC000005027639 570424633 /nfs/dbraw/zinc/42/46/33/570424633.db2.gz VFKDURDHZJQCMG-UHFFFAOYSA-N 0 0 387.483 5.090 50 0 GKAARN COC(=O)c1sccc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000005021167 570424665 /nfs/dbraw/zinc/42/46/65/570424665.db2.gz MVSRNCZQRYIUBO-UHFFFAOYSA-N 0 0 394.477 5.064 50 0 GKAARN CCOC(=O)c1c(NC(=O)C=C(C)C)sc(C)c1-c1ccc(Cl)cc1 ZINC000001791054 570424926 /nfs/dbraw/zinc/42/49/26/570424926.db2.gz NGWFRUVQAGOEAX-UHFFFAOYSA-N 0 0 377.893 5.458 50 0 GKAARN Clc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)c(Cl)c1 ZINC000001794877 570424956 /nfs/dbraw/zinc/42/49/56/570424956.db2.gz KAWKJZWWKDDSPM-UHFFFAOYSA-N 0 0 389.311 5.582 50 0 GKAARN CC(C)(C)c1ccc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000001789846 570425094 /nfs/dbraw/zinc/42/50/94/570425094.db2.gz UPEWJHHVJVNCQW-UHFFFAOYSA-N 0 0 392.499 5.610 50 0 GKAARN COc1ccc(OC)c([C@@H](C)NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000005041549 570425491 /nfs/dbraw/zinc/42/54/91/570425491.db2.gz FSCPUBLHAZVWDN-SNVBAGLBSA-N 0 0 385.316 5.058 50 0 GKAARN COc1cc2c(cc1NC(=S)Nc1cccc(C(C)=O)c1)oc1ccccc12 ZINC000005041818 570425541 /nfs/dbraw/zinc/42/55/41/570425541.db2.gz ZNDPXRGRDFBIBO-UHFFFAOYSA-N 0 0 390.464 5.606 50 0 GKAARN COc1cc2c(cc1NC(=S)Nc1ccc(F)cc1F)oc1ccccc12 ZINC000005041293 570425615 /nfs/dbraw/zinc/42/56/15/570425615.db2.gz WMUMVNWNAWKCCC-UHFFFAOYSA-N 0 0 384.407 5.682 50 0 GKAARN Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(Br)c1 ZINC000001800573 570425722 /nfs/dbraw/zinc/42/57/22/570425722.db2.gz DMCCMCUNYZFUQV-UHFFFAOYSA-N 0 0 394.312 5.795 50 0 GKAARN O=C(C[C@H](Sc1ccc(Cl)cc1)c1cccs1)c1ccc(Cl)cc1 ZINC000001799268 570425770 /nfs/dbraw/zinc/42/57/70/570425770.db2.gz DTOQBRWDICKSLX-IBGZPJMESA-N 0 0 393.360 7.161 50 0 GKAARN Cc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)NCc1cccs1 ZINC000005048305 570425876 /nfs/dbraw/zinc/42/58/76/570425876.db2.gz BBERXFKILUDNRC-UHFFFAOYSA-N 0 0 392.911 5.855 50 0 GKAARN Cc1sc2nc(SCc3ccccc3C)n(Cc3ccco3)c(=O)c2c1C ZINC000005047348 570425972 /nfs/dbraw/zinc/42/59/72/570425972.db2.gz HUDUOQGQUHOORK-UHFFFAOYSA-N 0 0 396.537 5.317 50 0 GKAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3F)nc2c1C ZINC000005142323 570425995 /nfs/dbraw/zinc/42/59/95/570425995.db2.gz HTZXKINLMBPVRS-UHFFFAOYSA-N 0 0 391.471 5.294 50 0 GKAARN CC(C)Cc1nc2sc3c(ncnc3NC3CCCCC3)c2c2c1CCCC2 ZINC000001805967 570426048 /nfs/dbraw/zinc/42/60/48/570426048.db2.gz LBVSJYPXEGBHKS-UHFFFAOYSA-N 0 0 394.588 6.061 50 0 GKAARN O=C(Nc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccco1 ZINC000005048963 570426255 /nfs/dbraw/zinc/42/62/55/570426255.db2.gz FFRJUZIUFOLPRO-UHFFFAOYSA-N 0 0 394.515 5.640 50 0 GKAARN COc1ccc([C@H]2CC(=O)N(Cc3cccc(F)c3)c3ccccc3S2)cc1 ZINC000005053285 570426393 /nfs/dbraw/zinc/42/63/93/570426393.db2.gz QIEXVXKTHGRAFX-JOCHJYFZSA-N 0 0 393.483 5.605 50 0 GKAARN COc1ccc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)c3ccccc3S2)cc1 ZINC000005053289 570426476 /nfs/dbraw/zinc/42/64/76/570426476.db2.gz KTMLXLXLYVMRFM-QFIPXVFZSA-N 0 0 393.483 5.605 50 0 GKAARN CC1CCN(c2nc3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3s2)CC1 ZINC000005145206 570426727 /nfs/dbraw/zinc/42/67/27/570426727.db2.gz UZPLNESIHVNODX-SOLBZPMBSA-N 0 0 385.577 5.087 50 0 GKAARN CC1CCN(c2nc3ccc(C(=O)NCCC4=CCCCC4)cc3s2)CC1 ZINC000005145225 570426880 /nfs/dbraw/zinc/42/68/80/570426880.db2.gz URMUUQXBFAJPHB-UHFFFAOYSA-N 0 0 383.561 5.153 50 0 GKAARN COc1ccc2c(CSc3nc4cc(Cl)ccc4s3)cc(=O)oc2c1 ZINC000006458032 570426953 /nfs/dbraw/zinc/42/69/53/570426953.db2.gz ZFFXELXKSQXROA-UHFFFAOYSA-N 0 0 389.885 5.357 50 0 GKAARN Cc1ccc(-c2cn3c(CC(=O)Nc4c(C)cccc4C)csc3n2)cc1 ZINC000005147152 570427018 /nfs/dbraw/zinc/42/70/18/570427018.db2.gz VTQAMRCEIPDQSI-UHFFFAOYSA-N 0 0 375.497 5.169 50 0 GKAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055323 570427026 /nfs/dbraw/zinc/42/70/26/570427026.db2.gz CMKBSZYXYXLWHQ-QGZVFWFLSA-N 0 0 381.888 5.174 50 0 GKAARN Cc1ccc(O)c([C@@H](CC(=O)NCc2ccccc2Cl)c2ccccc2)c1 ZINC000005059481 570427334 /nfs/dbraw/zinc/42/73/34/570427334.db2.gz BPOKFAKORYVHMA-IBGZPJMESA-N 0 0 379.887 5.192 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)oc2C)cc1 ZINC000005063711 570427839 /nfs/dbraw/zinc/42/78/39/570427839.db2.gz BJWBRKXAKRKZQC-UHFFFAOYSA-N 0 0 376.239 5.823 50 0 GKAARN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccc(F)cc3Cl)c2)o1 ZINC000005065139 570427884 /nfs/dbraw/zinc/42/78/84/570427884.db2.gz RAWSHRFXYLMXKW-UHFFFAOYSA-N 0 0 393.197 5.562 50 0 GKAARN CCCCn1nc(NC(=O)c2ccccc2F)c2cc3cccc(C)c3nc21 ZINC000005149632 570427932 /nfs/dbraw/zinc/42/79/32/570427932.db2.gz PEOREPSDGRLBAY-UHFFFAOYSA-N 0 0 376.435 5.084 50 0 GKAARN Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc3ccccc3c2)c1 ZINC000005149581 570427991 /nfs/dbraw/zinc/42/79/91/570427991.db2.gz PVYJVECGUOBTTH-DTQAZKPQSA-N 0 0 388.470 6.018 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc2ccccc2oc1=O ZINC000005069072 570428124 /nfs/dbraw/zinc/42/81/24/570428124.db2.gz VXPFKGOMXMZHTG-UHFFFAOYSA-N 0 0 398.443 5.322 50 0 GKAARN Clc1ccc(-c2nc3c4ccccc4oc3c(NC3CCCCC3)n2)cc1 ZINC000005149777 570428203 /nfs/dbraw/zinc/42/82/03/570428203.db2.gz ZMNAFCKOZPCSPN-UHFFFAOYSA-N 0 0 377.875 6.441 50 0 GKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1OC ZINC000005073980 570428308 /nfs/dbraw/zinc/42/83/08/570428308.db2.gz GEMARUXNGYWZLQ-OAQYLSRUSA-N 0 0 376.431 5.199 50 0 GKAARN CC[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(C)cc1 ZINC000026748519 570428333 /nfs/dbraw/zinc/42/83/33/570428333.db2.gz HBHAIQIXLUNOIO-MRXNPFEDSA-N 0 0 382.485 5.091 50 0 GKAARN COc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000005073984 570428338 /nfs/dbraw/zinc/42/83/38/570428338.db2.gz PQAPCPBSOSMGGG-QFIPXVFZSA-N 0 0 380.850 5.843 50 0 GKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2F)cc1OC ZINC000005073965 570428368 /nfs/dbraw/zinc/42/83/68/570428368.db2.gz XFOXREVTSKXOPJ-OAQYLSRUSA-N 0 0 394.421 5.338 50 0 GKAARN CC(C)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1 ZINC000005150528 570428545 /nfs/dbraw/zinc/42/85/45/570428545.db2.gz RVRYHFPYZPPBCJ-UHFFFAOYSA-N 0 0 397.521 5.078 50 0 GKAARN Clc1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc1 ZINC000005092363 570428905 /nfs/dbraw/zinc/42/89/05/570428905.db2.gz MRBSITHPQUVLRN-UHFFFAOYSA-N 0 0 376.872 5.110 50 0 GKAARN Fc1ccc(COc2cccc(NCc3nc(-c4cccs4)no3)c2)cc1 ZINC000026787906 570428894 /nfs/dbraw/zinc/42/88/94/570428894.db2.gz SRVXQBZIXQEPSQ-UHFFFAOYSA-N 0 0 381.432 5.128 50 0 GKAARN N=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1 ZINC000005093843 570428935 /nfs/dbraw/zinc/42/89/35/570428935.db2.gz JKKGUXPHBANSAW-RBCZPYDQSA-N 0 0 387.873 5.112 50 0 GKAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2cc(C)ccc2C)c1N ZINC000032952390 570429196 /nfs/dbraw/zinc/42/91/96/570429196.db2.gz GKLWDYIEJLKZRZ-UHFFFAOYSA-N 0 0 399.541 5.118 50 0 GKAARN O=C(CSCc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005102976 570429464 /nfs/dbraw/zinc/42/94/64/570429464.db2.gz UNYYKXHLGITBSN-UHFFFAOYSA-N 0 0 395.955 5.802 50 0 GKAARN CCCCC1CCC(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CC1 ZINC000026898419 570429711 /nfs/dbraw/zinc/42/97/11/570429711.db2.gz HICKFNGFESBAGH-UHFFFAOYSA-N 0 0 396.575 5.066 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000005107527 570429796 /nfs/dbraw/zinc/42/97/96/570429796.db2.gz HXBCFYKNXATYFB-HKOYGPOVSA-N 0 0 381.431 6.251 50 0 GKAARN COc1ccc(C)cc1[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)c(C)c2)o1 ZINC000026915633 570430058 /nfs/dbraw/zinc/43/00/58/570430058.db2.gz USPUPOJDPKHHMJ-SFHVURJKSA-N 0 0 392.499 5.085 50 0 GKAARN COc1ccccc1-n1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O ZINC000026957645 570430318 /nfs/dbraw/zinc/43/03/18/570430318.db2.gz NFZXEKJJGDVASO-CCEZHUSRSA-N 0 0 388.854 5.218 50 0 GKAARN CCCOc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)c(Cl)c1 ZINC000037613989 570430588 /nfs/dbraw/zinc/43/05/88/570430588.db2.gz OYONTWWIHQIHJK-UHFFFAOYSA-N 0 0 390.867 5.644 50 0 GKAARN Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)nc3ccc(C)cn32)cc1 ZINC000026964346 570430595 /nfs/dbraw/zinc/43/05/95/570430595.db2.gz REWSWBDODZZDRI-UHFFFAOYSA-N 0 0 375.859 5.524 50 0 GKAARN CCc1ccc(-c2nc(CC(=O)N(C)c3nc4ccccc4s3)cs2)cc1 ZINC000026964350 570430605 /nfs/dbraw/zinc/43/06/05/570430605.db2.gz RRFQMBNGXOQYRW-UHFFFAOYSA-N 0 0 393.537 5.188 50 0 GKAARN CCCOc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)c(Cl)c1 ZINC000037613986 570430664 /nfs/dbraw/zinc/43/06/64/570430664.db2.gz ACZUVFKBDGJTOG-UHFFFAOYSA-N 0 0 386.904 5.813 50 0 GKAARN O=C(Nc1nc2ccccc2s1)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000005175731 570430755 /nfs/dbraw/zinc/43/07/55/570430755.db2.gz BXHIIXFLBAITDZ-UHFFFAOYSA-N 0 0 379.485 5.067 50 0 GKAARN Cc1cccn2c1nc(-c1ccc(F)cc1)c2NC(=O)c1ccc(Cl)cc1 ZINC000027015723 570431004 /nfs/dbraw/zinc/43/10/04/570431004.db2.gz YOFWLGXGDABLQX-UHFFFAOYSA-N 0 0 379.822 5.355 50 0 GKAARN C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000027041651 570431147 /nfs/dbraw/zinc/43/11/47/570431147.db2.gz FKVLRDVAXKDIAK-SNVBAGLBSA-N 0 0 390.270 5.451 50 0 GKAARN CCn1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)n1 ZINC000011738244 570431234 /nfs/dbraw/zinc/43/12/34/570431234.db2.gz BCLBAGZLBHDDIY-UHFFFAOYSA-N 0 0 396.903 5.013 50 0 GKAARN CC(C)(C)c1ccc(-c2cc(C(=O)NCCCCc3ccccc3)no2)cc1 ZINC000022653251 570432748 /nfs/dbraw/zinc/43/27/48/570432748.db2.gz JGCROMPORKNDNU-UHFFFAOYSA-N 0 0 376.500 5.392 50 0 GKAARN COC(=O)CCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000005275693 570433017 /nfs/dbraw/zinc/43/30/17/570433017.db2.gz AGCCCDFZUSVZQF-ZOGLATAOSA-N 0 0 390.564 5.284 50 0 GKAARN O=C(c1nc2scc(-c3ccc(F)cc3)n2c1-c1ccccc1)c1ccccc1 ZINC000005297764 570433273 /nfs/dbraw/zinc/43/32/73/570433273.db2.gz IYJCVAGNDXESOJ-UHFFFAOYSA-N 0 0 398.462 6.100 50 0 GKAARN COc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3)cc(OC)c2c1 ZINC000038652173 570433515 /nfs/dbraw/zinc/43/35/15/570433515.db2.gz NOBTULSDDNGZGZ-UHFFFAOYSA-N 0 0 384.435 5.171 50 0 GKAARN COc1ccc(-c2c(C)sc3nc(-c4ccccc4)c(-c4ccccc4)n32)cc1 ZINC000005313471 570433646 /nfs/dbraw/zinc/43/36/46/570433646.db2.gz VATACMVLXMIHTQ-UHFFFAOYSA-N 0 0 396.515 6.714 50 0 GKAARN C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2C1 ZINC000027377319 570433849 /nfs/dbraw/zinc/43/38/49/570433849.db2.gz PXPTZDOIAUWKCF-LSDHHAIUSA-N 0 0 380.513 5.034 50 0 GKAARN Cc1cccc(NC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1C ZINC000032953735 570433906 /nfs/dbraw/zinc/43/39/06/570433906.db2.gz FNQLYALWOXOBEI-UHFFFAOYSA-N 0 0 388.515 5.794 50 0 GKAARN COc1cccc(NC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1 ZINC000032953723 570433914 /nfs/dbraw/zinc/43/39/14/570433914.db2.gz LCLZBLZFDHRCND-UHFFFAOYSA-N 0 0 390.487 5.186 50 0 GKAARN CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC(C)C ZINC000005318772 570433921 /nfs/dbraw/zinc/43/39/21/570433921.db2.gz CQTQEDUIWMFZRJ-UHFFFAOYSA-N 0 0 390.405 5.818 50 0 GKAARN CCN(CC)c1cc(C)c2cc(NC(=O)Nc3ccc(C)cc3Cl)ccc2n1 ZINC000032953946 570434176 /nfs/dbraw/zinc/43/41/76/570434176.db2.gz FBEIVZGKCWHKTD-UHFFFAOYSA-N 0 0 396.922 5.995 50 0 GKAARN Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccco3)nc2n1 ZINC000027408426 570434489 /nfs/dbraw/zinc/43/44/89/570434489.db2.gz NMYGPIIGOPMXCK-UHFFFAOYSA-N 0 0 399.237 5.152 50 0 GKAARN COc1ccc(C2=C(Oc3cccc(C)c3)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000248004822 570434993 /nfs/dbraw/zinc/43/49/93/570434993.db2.gz VCLMFABCCMMMHP-NDEPHWFRSA-N 0 0 392.476 5.038 50 0 GKAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1 ZINC000027580499 570436253 /nfs/dbraw/zinc/43/62/53/570436253.db2.gz AVZUXNQVWWMSTC-UHFFFAOYSA-N 0 0 391.427 5.059 50 0 GKAARN Clc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2c2ccc(Cl)cc2)cc1 ZINC000005379329 570436670 /nfs/dbraw/zinc/43/66/70/570436670.db2.gz BDSMXLUZOSFQEI-FYYLOGMGSA-N 0 0 393.317 6.521 50 0 GKAARN CCCCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001830895 570436811 /nfs/dbraw/zinc/43/68/11/570436811.db2.gz XZWFQDQJBSJLBA-UHFFFAOYSA-N 0 0 396.604 6.309 50 0 GKAARN COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000027583398 570436972 /nfs/dbraw/zinc/43/69/72/570436972.db2.gz ISGQKCKOZOMOFA-LBPRGKRZSA-N 0 0 378.925 5.208 50 0 GKAARN CCCCc1ccc(Nc2cc(CCC)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027585199 570437117 /nfs/dbraw/zinc/43/71/17/570437117.db2.gz DQYIZGOCXCGVJX-UHFFFAOYSA-N 0 0 384.527 6.435 50 0 GKAARN CCc1nc(C)cn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000027587987 570437166 /nfs/dbraw/zinc/43/71/66/570437166.db2.gz RWUMZWPSOJSSRQ-UHFFFAOYSA-N 0 0 376.566 5.361 50 0 GKAARN c1nn2c(nc(-c3ccccc3)cc2NCCc2ccccc2)c1-c1ccccc1 ZINC000027585931 570437204 /nfs/dbraw/zinc/43/72/04/570437204.db2.gz ZCKXZMXONZFIEX-UHFFFAOYSA-N 0 0 390.490 5.718 50 0 GKAARN Cc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000026805903 570438030 /nfs/dbraw/zinc/43/80/30/570438030.db2.gz ACHSYSCJXKFEHS-UHFFFAOYSA-N 0 0 378.859 5.082 50 0 GKAARN COc1ccc(-c2nsc(NC(=O)c3oc4c(ccc(C)c4C)c3C)n2)cc1 ZINC000027662385 570438110 /nfs/dbraw/zinc/43/81/10/570438110.db2.gz CJIJEMUXDNKRDI-UHFFFAOYSA-N 0 0 393.468 5.137 50 0 GKAARN Cc1ccc(OCC(=O)N(Cc2cccc3ccccc32)c2ccccn2)cc1 ZINC000027661967 570438302 /nfs/dbraw/zinc/43/83/02/570438302.db2.gz WWEPKMMWMZEHAC-UHFFFAOYSA-N 0 0 382.463 5.155 50 0 GKAARN Cc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1Cl ZINC000001892125 570439074 /nfs/dbraw/zinc/43/90/74/570439074.db2.gz CNZBHLKKGZICCO-LKUDQCMESA-N 0 0 380.274 6.947 50 0 GKAARN CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCOC(C)(C)C1)Cc1ccccc1 ZINC000027666481 570439659 /nfs/dbraw/zinc/43/96/59/570439659.db2.gz ZBCGKASJFUFLGS-SANMLTNESA-N 0 0 393.571 5.651 50 0 GKAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc2ccccc2c1 ZINC000006461118 570439923 /nfs/dbraw/zinc/43/99/23/570439923.db2.gz WZDZQBOIOOUQEZ-UHFFFAOYSA-N 0 0 396.446 5.110 50 0 GKAARN COc1ccc(-c2c/c(=N\c3ccc(C)cc3C)c3ccccc3o2)cc1OC ZINC000001901244 570440105 /nfs/dbraw/zinc/44/01/05/570440105.db2.gz ARVDXJYLOASWAP-YYADALCUSA-N 0 0 385.463 5.966 50 0 biogenic GKAARN CCC(=O)Nc1oc2c3ccccc3sc2c(=O)c1-c1ccc(OC)cc1 ZINC000005452010 570440240 /nfs/dbraw/zinc/44/02/40/570440240.db2.gz OGMSAMHUTKYUCI-UHFFFAOYSA-N 0 0 379.437 5.032 50 0 GKAARN CCC(=O)N(c1ccc(C)cc1)[C@@H]1C[C@H](C)N(C(=O)CC)c2ccc(C)cc21 ZINC000005451604 570440323 /nfs/dbraw/zinc/44/03/23/570440323.db2.gz QDNWYXOCZAFFDK-PGRDOPGGSA-N 0 0 378.516 5.323 50 0 GKAARN Cc1ccccc1NC(=O)[C@]1(c2ccc(C(C)C)cc2)CC(=O)N1c1ccccc1 ZINC000005451411 570440337 /nfs/dbraw/zinc/44/03/37/570440337.db2.gz JRRDNAMKHBAVPL-AREMUKBSSA-N 0 0 398.506 5.389 50 0 GKAARN CCc1cc2c(cc1OCc1c(F)cccc1Cl)oc(=O)c1c2CCCC1 ZINC000001902697 570440411 /nfs/dbraw/zinc/44/04/11/570440411.db2.gz IBKTXUBVLVLKOJ-UHFFFAOYSA-N 0 0 386.850 5.606 50 0 GKAARN CCOc1ccccc1NC(=O)c1c2cc(OC)ccc2oc1-c1ccccc1 ZINC000011866455 570441396 /nfs/dbraw/zinc/44/13/96/570441396.db2.gz SCNFQGKYFRWISK-UHFFFAOYSA-N 0 0 387.435 5.759 50 0 GKAARN CCOc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000027747033 570441610 /nfs/dbraw/zinc/44/16/10/570441610.db2.gz PJENWSLHXDSDPO-QFIPXVFZSA-N 0 0 384.479 5.129 50 0 GKAARN C[C@H](SCc1ccccc1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000006467775 570442743 /nfs/dbraw/zinc/44/27/43/570442743.db2.gz ULFVKFMZFIQHIY-HNNXBMFYSA-N 0 0 379.978 5.011 50 0 GKAARN Cc1cc(C)cc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000027793678 570442902 /nfs/dbraw/zinc/44/29/02/570442902.db2.gz IKDNUOMPFPRSNM-QHCPKHFHSA-N 0 0 398.506 5.112 50 0 GKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000027793669 570443030 /nfs/dbraw/zinc/44/30/30/570443030.db2.gz OSFKRDZZSDBZKO-ZCUVORPTSA-N 0 0 398.550 5.632 50 0 GKAARN CCCCCC[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000005502415 570443086 /nfs/dbraw/zinc/44/30/86/570443086.db2.gz FZKULYFBGDSOKG-JTHBVZDNSA-N 0 0 382.935 6.570 50 0 GKAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795287 570443328 /nfs/dbraw/zinc/44/33/28/570443328.db2.gz ZJDDZQUBNSNWJJ-UHFFFAOYSA-N 0 0 376.239 5.199 50 0 GKAARN Cc1ccc(OCC(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccc(C)cc2)cc1 ZINC000027795375 570443427 /nfs/dbraw/zinc/44/34/27/570443427.db2.gz HOSSZUFIIIJYKE-AREMUKBSSA-N 0 0 398.506 5.412 50 0 GKAARN Cn1cc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)c2ccccc21 ZINC000027816122 570443853 /nfs/dbraw/zinc/44/38/53/570443853.db2.gz OMLYZSUNGKCGGA-IBGZPJMESA-N 0 0 399.519 5.283 50 0 GKAARN Clc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1Cl ZINC000005528815 570444309 /nfs/dbraw/zinc/44/43/09/570444309.db2.gz OGPHAGHRWZPXNV-UHFFFAOYSA-N 0 0 395.702 5.263 50 0 GKAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)CSC3)c(C)c1 ZINC000006472936 570444360 /nfs/dbraw/zinc/44/43/60/570444360.db2.gz BMFXXVVXOQRLTM-UHFFFAOYSA-N 0 0 399.519 5.641 50 0 GKAARN CC(C)(C)c1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc1 ZINC000044421767 570446337 /nfs/dbraw/zinc/44/63/37/570446337.db2.gz FRFSPKHEXRUQOQ-HNNXBMFYSA-N 0 0 395.890 5.208 50 0 GKAARN Clc1ccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)c(Cl)c1 ZINC000005562655 570446360 /nfs/dbraw/zinc/44/63/60/570446360.db2.gz OJTKHDRNEUHNLV-UHFFFAOYSA-N 0 0 395.702 5.263 50 0 GKAARN CC(C)Oc1ccc(C(=O)N(Cc2cccs2)c2ccc(Cl)cc2)cc1 ZINC000011916547 570447155 /nfs/dbraw/zinc/44/71/55/570447155.db2.gz BRRGCEGEFBYHMA-UHFFFAOYSA-N 0 0 385.916 6.036 50 0 GKAARN COc1ccc(-c2cc(=Nc3cccc(C(C)=O)c3)c3cc(C)ccc3o2)cc1 ZINC000001912149 570447423 /nfs/dbraw/zinc/44/74/23/570447423.db2.gz MJJFUAKRRWJTKM-WNAAXNPUSA-N 0 0 383.447 5.852 50 0 GKAARN Clc1ccccc1CSc1nnc(Nc2ccccc2)n1-c1ccccc1 ZINC000005589830 570447720 /nfs/dbraw/zinc/44/77/20/570447720.db2.gz NCBFKXQWLKELKF-UHFFFAOYSA-N 0 0 392.915 5.957 50 0 GKAARN Cc1ccc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc2c1C ZINC000006478521 570447941 /nfs/dbraw/zinc/44/79/41/570447941.db2.gz MDGQMMMKVJGHQP-UHFFFAOYSA-N 0 0 381.284 5.237 50 0 GKAARN Cc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C1CCCCC1 ZINC000006479878 570448000 /nfs/dbraw/zinc/44/80/00/570448000.db2.gz SWVXRAHDXYQSHW-UHFFFAOYSA-N 0 0 389.912 5.087 50 0 GKAARN CCOc1ccccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000027989040 570447999 /nfs/dbraw/zinc/44/79/99/570447999.db2.gz OUJPTRZVDWHVTQ-OAQYLSRUSA-N 0 0 384.479 5.129 50 0 GKAARN Cc1cc(OCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)ccc1Cl ZINC000011917343 570448058 /nfs/dbraw/zinc/44/80/58/570448058.db2.gz RMYGZHWAPVTWHZ-CYBMUJFWSA-N 0 0 392.952 5.273 50 0 GKAARN Cc1cccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C ZINC000011915921 570448113 /nfs/dbraw/zinc/44/81/13/570448113.db2.gz GOUVZVXQZNAHTN-QGZVFWFLSA-N 0 0 394.540 5.087 50 0 GKAARN FC(F)(F)c1ccc(Cl)c(N2C(=S)N=NC2[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000005593956 570448162 /nfs/dbraw/zinc/44/81/62/570448162.db2.gz ZYUXKGDCCODIMB-CHWSQXEVSA-N 0 0 395.837 5.499 50 0 GKAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000011917485 570448205 /nfs/dbraw/zinc/44/82/05/570448205.db2.gz HIEQGWOLILXKII-AWEZNQCLSA-N 0 0 376.387 5.040 50 0 GKAARN Cc1c2cc(F)ccc2oc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000027991678 570448242 /nfs/dbraw/zinc/44/82/42/570448242.db2.gz ZVMAVPHWUZVWBX-UHFFFAOYSA-N 0 0 394.471 5.285 50 0 GKAARN CCCCOc1cccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)c1 ZINC000027990218 570448337 /nfs/dbraw/zinc/44/83/37/570448337.db2.gz QZDQCBOUSGWPPE-UHFFFAOYSA-N 0 0 394.540 5.270 50 0 GKAARN COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)cc(C)c4c3C)n2)cc1 ZINC000027992158 570448706 /nfs/dbraw/zinc/44/87/06/570448706.db2.gz VPAPVAWMECCKMS-UHFFFAOYSA-N 0 0 393.468 5.137 50 0 GKAARN O=C(NCCc1csc(-c2ccccc2)n1)C(c1ccccc1)c1ccccc1 ZINC000027992571 570448735 /nfs/dbraw/zinc/44/87/35/570448735.db2.gz JOOYOXJOAVXLEV-UHFFFAOYSA-N 0 0 398.531 5.301 50 0 GKAARN Cc1c(C(=O)N(Cc2cccs2)c2ccccn2)oc2cc(C)cc(C)c12 ZINC000027993371 570448741 /nfs/dbraw/zinc/44/87/41/570448741.db2.gz AOSFMPYGIVCCSU-UHFFFAOYSA-N 0 0 376.481 5.662 50 0 GKAARN CCN(C(=O)c1ccc(F)cc1)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000027993241 570448751 /nfs/dbraw/zinc/44/87/51/570448751.db2.gz PFERZZMWZBVJGS-DEOSSOPVSA-N 0 0 386.470 5.867 50 0 GKAARN CCN(C(=O)c1ccccc1)[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000027993279 570448792 /nfs/dbraw/zinc/44/87/92/570448792.db2.gz QTFOGPFEFBVNOT-XMMPIXPASA-N 0 0 384.479 5.428 50 0 GKAARN Cc1ccccc1NC(=O)COC(=O)CSc1cccc2cccc(Cl)c21 ZINC000006486005 570449074 /nfs/dbraw/zinc/44/90/74/570449074.db2.gz DEMUDXDLQRPUTO-UHFFFAOYSA-N 0 0 399.899 5.076 50 0 GKAARN CC[C@H]1CCc2sc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2C1 ZINC000006489696 570449703 /nfs/dbraw/zinc/44/97/03/570449703.db2.gz XHGGSANLUPWOSC-KRWDZBQOSA-N 0 0 391.536 6.094 50 0 GKAARN COc1ccc([C@H]2CCCN2Cc2csc(Cc3ccccc3)n2)c(OC)c1 ZINC000070016954 570449985 /nfs/dbraw/zinc/44/99/85/570449985.db2.gz QBSDGJCSSIYHCC-OAQYLSRUSA-N 0 0 394.540 5.088 50 0 GKAARN Cc1cc2nnc(SCc3ccc(Br)cc3)n2c2ccccc12 ZINC000001924359 570450140 /nfs/dbraw/zinc/45/01/40/570450140.db2.gz JKLAQYCDYUCDHY-UHFFFAOYSA-N 0 0 384.302 5.246 50 0 GKAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2c(s1)CC[C@@H](CC)C2 ZINC000006489858 570450196 /nfs/dbraw/zinc/45/01/96/570450196.db2.gz UCIQSUCBUBTEGB-GFCCVEGCSA-N 0 0 391.558 5.316 50 0 GKAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000001948917 570450851 /nfs/dbraw/zinc/45/08/51/570450851.db2.gz UIDJEOIHKYVQJG-UHFFFAOYSA-N 0 0 383.488 5.058 50 0 GKAARN Brc1ccccc1-c1nc(SCc2cccc3cccnc32)n[nH]1 ZINC000054154862 570451097 /nfs/dbraw/zinc/45/10/97/570451097.db2.gz JLEXBMHXZLWGSX-UHFFFAOYSA-N 0 0 397.301 5.075 50 0 GKAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccc(Br)c1 ZINC000001957379 570451482 /nfs/dbraw/zinc/45/14/82/570451482.db2.gz LDPQWMHLUNKDDW-AUWJEWJLSA-N 0 0 397.055 5.100 50 0 GKAARN CCN(C(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2s1 ZINC000026907258 570451990 /nfs/dbraw/zinc/45/19/90/570451990.db2.gz ZBPQHIDJARAJPP-UHFFFAOYSA-N 0 0 378.453 5.135 50 0 GKAARN Cc1nc([C@@H](C)Nc2ccc(O[C@H]3CCOC3)cc2)oc1-c1ccc(Cl)cc1 ZINC000130348127 570451997 /nfs/dbraw/zinc/45/19/97/570451997.db2.gz WCRXNXPOEGAVMT-QRWLVFNGSA-N 0 0 398.890 5.644 50 0 GKAARN O=c1oc2cc3occ(-c4ccc(Br)cc4)c3cc2c2c1CCCC2 ZINC000002121541 570452864 /nfs/dbraw/zinc/45/28/64/570452864.db2.gz QKOQDIWTUMYITQ-UHFFFAOYSA-N 0 0 395.252 5.848 50 0 biogenic GKAARN COc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000028231967 570453124 /nfs/dbraw/zinc/45/31/24/570453124.db2.gz OAXISHXBFPOXSI-UHFFFAOYSA-N 0 0 393.414 5.325 50 0 GKAARN Cc1c(O[C@H](C)C(=O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002434126 570453511 /nfs/dbraw/zinc/45/35/11/570453511.db2.gz HCZPDEHMDGIRDW-QGZVFWFLSA-N 0 0 384.431 5.419 50 0 biogenic GKAARN C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1cccc2ncccc21 ZINC000028281896 570453815 /nfs/dbraw/zinc/45/38/15/570453815.db2.gz QEZBFPHALWUABM-GFCCVEGCSA-N 0 0 398.438 5.099 50 0 GKAARN Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005739414 570454132 /nfs/dbraw/zinc/45/41/32/570454132.db2.gz ZWFKIXZXLGPQOX-PXNSSMCTSA-N 0 0 395.256 5.284 50 0 GKAARN COc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1 ZINC000028287342 570454171 /nfs/dbraw/zinc/45/41/71/570454171.db2.gz VOYNJNYLPQYBNV-UHFFFAOYSA-N 0 0 386.451 5.300 50 0 GKAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 ZINC000028287297 570454241 /nfs/dbraw/zinc/45/42/41/570454241.db2.gz DSIXTHNQYMUHRN-UHFFFAOYSA-N 0 0 384.479 5.908 50 0 GKAARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1)c1ccccc1O ZINC000252620199 570454523 /nfs/dbraw/zinc/45/45/23/570454523.db2.gz LZHMMDSNELZFGP-UHFFFAOYSA-N 0 0 396.450 5.058 50 0 GKAARN CN(N=Cc1c(OC(=O)c2ccccc2)ccc2ccccc21)c1ccccc1 ZINC000252627060 570454627 /nfs/dbraw/zinc/45/46/27/570454627.db2.gz RLBJIXOIAZOICZ-UHFFFAOYSA-N 0 0 380.447 5.529 50 0 GKAARN CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl ZINC000028287549 570454604 /nfs/dbraw/zinc/45/46/04/570454604.db2.gz PGRCPEBNOHLXOQ-OAHLLOKOSA-N 0 0 393.339 5.241 50 0 GKAARN CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2F)c2ccccn2)cc1 ZINC000028288070 570454662 /nfs/dbraw/zinc/45/46/62/570454662.db2.gz SWXYGEIKWFMKBC-UHFFFAOYSA-N 0 0 392.474 5.130 50 0 GKAARN CN(Cc1ccccc1)c1nc(-c2ccccc2)nc2oc(-c3ccccc3)nc21 ZINC000028287701 570454735 /nfs/dbraw/zinc/45/47/35/570454735.db2.gz IHKVHOHBUKERDL-UHFFFAOYSA-N 0 0 392.462 5.588 50 0 GKAARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1)c1ccccc1 ZINC000252644136 570454981 /nfs/dbraw/zinc/45/49/81/570454981.db2.gz ZZTOZADEMOKZKJ-UHFFFAOYSA-N 0 0 380.451 5.352 50 0 GKAARN O=C(c1ccco1)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccn1 ZINC000028289157 570455037 /nfs/dbraw/zinc/45/50/37/570455037.db2.gz JEQJHHFSQGHUJB-UHFFFAOYSA-N 0 0 384.435 5.101 50 0 GKAARN COc1ccc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000028289243 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Cc1ccc(-c2csc(C(=O)Nc3ccc(C)c(C)c3)c2-n2cccc2)cc1 ZINC000064472531 570467433 /nfs/dbraw/zinc/46/74/33/570467433.db2.gz JMUOLLMUDSHBEE-UHFFFAOYSA-N 0 0 386.520 6.383 50 0 GKAARN Cc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c(Cl)c1 ZINC000064471906 570467446 /nfs/dbraw/zinc/46/74/46/570467446.db2.gz BFFXAPXQIPJIIB-UHFFFAOYSA-N 0 0 397.881 5.705 50 0 GKAARN CCc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(OC)cc32)c1 ZINC000064473996 570467455 /nfs/dbraw/zinc/46/74/55/570467455.db2.gz MQLAVCIEQODGIN-UHFFFAOYSA-N 0 0 389.499 5.176 50 0 GKAARN COc1cccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c1 ZINC000064472496 570467626 /nfs/dbraw/zinc/46/76/26/570467626.db2.gz MIDGWDGTCUNYCS-UHFFFAOYSA-N 0 0 388.492 5.775 50 0 GKAARN Cc1nc2c3ccccc3oc2c(NCC[C@@H](Cc2ccccc2)c2ccco2)n1 ZINC000005164059 570469310 /nfs/dbraw/zinc/46/93/10/570469310.db2.gz CEOKVVFVRYMBQA-IBGZPJMESA-N 0 0 397.478 6.106 50 0 GKAARN O=C(Nc1nnc(C2CCCCC2)s1)c1csc(-c2ccsc2)n1 ZINC000029185778 570469871 /nfs/dbraw/zinc/46/98/71/570469871.db2.gz 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ZINC000035892836 570474346 /nfs/dbraw/zinc/47/43/46/570474346.db2.gz OPKMPMJESNRZDA-INIZCTEOSA-N 0 0 377.557 5.397 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000006254579 570474348 /nfs/dbraw/zinc/47/43/48/570474348.db2.gz NRMLWCVEQREPMJ-VAWYXSNFSA-N 0 0 380.831 5.146 50 0 GKAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3cccs3)sc2c1 ZINC000006552823 570475256 /nfs/dbraw/zinc/47/52/56/570475256.db2.gz CKDMVTNZWYGIFL-UHFFFAOYSA-N 0 0 394.521 5.142 50 0 GKAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c(C)c1 ZINC000006271764 570475360 /nfs/dbraw/zinc/47/53/60/570475360.db2.gz AXYUDNSNKSZYPX-UGKGYDQZSA-N 0 0 394.927 6.261 50 0 GKAARN CN(Cc1nc2ccccc2s1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000006550900 570475422 /nfs/dbraw/zinc/47/54/22/570475422.db2.gz SPZPBKROOAQGDJ-UHFFFAOYSA-N 0 0 388.521 5.604 50 0 GKAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2CSc2nc3ccccc3o2)C1 ZINC000029516836 570475938 /nfs/dbraw/zinc/47/59/38/570475938.db2.gz SVMVHPSQFJXCHJ-HOTGVXAUSA-N 0 0 380.513 5.238 50 0 GKAARN Cc1nc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)sc1C ZINC000029582226 570476103 /nfs/dbraw/zinc/47/61/03/570476103.db2.gz VQYGFUBIYRLNED-UHFFFAOYSA-N 0 0 393.390 5.218 50 0 GKAARN O=C(Nc1nnc(Cc2ccccc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000006334424 570477478 /nfs/dbraw/zinc/47/74/78/570477478.db2.gz IMLMIWJJLORWTC-UHFFFAOYSA-N 0 0 399.475 5.005 50 0 GKAARN Cc1ccc(OCCSc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000006559264 570477896 /nfs/dbraw/zinc/47/78/96/570477896.db2.gz VIWXTZYLHSYAJW-UHFFFAOYSA-N 0 0 378.522 5.838 50 0 GKAARN CCCC[C@@H](CC)CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000029708648 570477958 /nfs/dbraw/zinc/47/79/58/570477958.db2.gz VKRODYUBYRWYLC-LJQANCHMSA-N 0 0 394.559 5.025 50 0 GKAARN Cc1nc2ccc(NC(=O)c3cccnc3Sc3ccccc3)cc2s1 ZINC000006560946 570478325 /nfs/dbraw/zinc/47/83/25/570478325.db2.gz BYDGVCRVUHJSAL-UHFFFAOYSA-N 0 0 377.494 5.403 50 0 GKAARN Cc1ccccc1-n1c(-c2ccccc2)nnc1-c1ccc(-c2ccccc2)cc1 ZINC000002026178 570478660 /nfs/dbraw/zinc/47/86/60/570478660.db2.gz 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570487464 /nfs/dbraw/zinc/48/74/64/570487464.db2.gz AFNSGRVGOOFPGG-UHFFFAOYSA-N 0 0 385.813 5.808 50 0 GKAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000030476385 570489468 /nfs/dbraw/zinc/48/94/68/570489468.db2.gz XLMAQPPYPNPKET-UHFFFAOYSA-N 0 0 394.471 5.220 50 0 GKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccccc3Cl)n2)cc1OC ZINC000006720340 570490226 /nfs/dbraw/zinc/49/02/26/570490226.db2.gz VUIVZNIXEHKWLG-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN COc1cc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc(OC)c1 ZINC000006720382 570490383 /nfs/dbraw/zinc/49/03/83/570490383.db2.gz RDENPQGKBIUXSN-UHFFFAOYSA-N 0 0 391.858 5.711 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)cc1C ZINC000006727876 570490704 /nfs/dbraw/zinc/49/07/04/570490704.db2.gz MWHCVKRGUMJMNE-UHFFFAOYSA-N 0 0 392.458 6.517 50 0 GKAARN CC(C)C(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000035977832 570490976 /nfs/dbraw/zinc/49/09/76/570490976.db2.gz YGYSNLKMMOUQSW-UHFFFAOYSA-N 0 0 389.499 5.026 50 0 GKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C(C)C ZINC000035977859 570490996 /nfs/dbraw/zinc/49/09/96/570490996.db2.gz IPNGIRPQHZPFAF-UHFFFAOYSA-N 0 0 391.515 5.274 50 0 GKAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C1CC1 ZINC000035977873 570491054 /nfs/dbraw/zinc/49/10/54/570491054.db2.gz ROFALPVSZDSHSC-UHFFFAOYSA-N 0 0 389.499 5.028 50 0 GKAARN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)c1ccc(Cl)cc1 ZINC000005170397 570491088 /nfs/dbraw/zinc/49/10/88/570491088.db2.gz REHAOEWCIGWYIK-SNVBAGLBSA-N 0 0 379.268 5.407 50 0 GKAARN CC(C)Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000006732340 570491159 /nfs/dbraw/zinc/49/11/59/570491159.db2.gz WSIWAJCXUOXHOJ-NZQKXSOJSA-N 0 0 390.508 5.778 50 0 GKAARN CC(C)Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000006732341 570491346 /nfs/dbraw/zinc/49/13/46/570491346.db2.gz WSIWAJCXUOXHOJ-REWPJTCUSA-N 0 0 390.508 5.778 50 0 GKAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cnc(Cl)c(Cl)c1 ZINC000005171503 570491581 /nfs/dbraw/zinc/49/15/81/570491581.db2.gz WTTDSXDFBZKRAJ-UHFFFAOYSA-N 0 0 398.702 5.341 50 0 GKAARN C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 ZINC000005171594 570491631 /nfs/dbraw/zinc/49/16/31/570491631.db2.gz LVGWRVPBGXYQDA-MRXNPFEDSA-N 0 0 386.882 6.046 50 0 GKAARN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1cc2ccccc2oc1=O ZINC000005173368 570492395 /nfs/dbraw/zinc/49/23/95/570492395.db2.gz HOODMRLIYWPLKN-UHFFFAOYSA-N 0 0 389.838 5.674 50 0 GKAARN Cn1ccnc1[C@@H](NCc1ccc(-c2ccccc2F)s1)c1ccccc1 ZINC000030642855 570492711 /nfs/dbraw/zinc/49/27/11/570492711.db2.gz UIXWJDZALXNYLX-NRFANRHFSA-N 0 0 377.488 5.167 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1-c1nc2ccccc2o1 ZINC000005174186 570492856 /nfs/dbraw/zinc/49/28/56/570492856.db2.gz BIFDUODBWYMNPH-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN CC[C@H](C)c1ccc(-c2cc(C3N=NC(=S)N3CC)c3ccccc3n2)cc1 ZINC000006791486 570493364 /nfs/dbraw/zinc/49/33/64/570493364.db2.gz ZPTOPERBFPTBNP-HNNXBMFYSA-N 0 0 388.540 5.982 50 0 GKAARN CCCN(C(=O)Cn1ncc2c1-c1ccccc1OC2)c1ccc(C(C)C)cc1 ZINC000006805308 570494015 /nfs/dbraw/zinc/49/40/15/570494015.db2.gz HWMFAGSUHXOLCB-UHFFFAOYSA-N 0 0 389.499 5.009 50 0 GKAARN Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000006819387 570495438 /nfs/dbraw/zinc/49/54/38/570495438.db2.gz YHIUVDXKDHKBEE-QGZVFWFLSA-N 0 0 393.870 5.246 50 0 GKAARN CCOc1cc([C@H]2CC(=O)Nc3c4ccccc4ccc32)ccc1OC(C)C ZINC000006819417 570495452 /nfs/dbraw/zinc/49/54/52/570495452.db2.gz PIVITUJJNNRAHO-HXUWFJFHSA-N 0 0 375.468 5.500 50 0 GKAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000030763639 570495693 /nfs/dbraw/zinc/49/56/93/570495693.db2.gz IRSFBIUYDKXLFQ-IBGZPJMESA-N 0 0 380.488 5.105 50 0 GKAARN CCCN(CCC)C(=O)c1cccc(Nc2ncc(-c3cccc(C)c3)cn2)c1 ZINC000064605754 570496198 /nfs/dbraw/zinc/49/61/98/570496198.db2.gz CSMHEUSFXJVNPV-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN CCN(C(=O)Nc1ccc(C)c(Cl)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000006826668 570496268 /nfs/dbraw/zinc/49/62/68/570496268.db2.gz 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6.258 50 0 GKAARN C[C@@H](Nc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21)c1ccccc1 ZINC000006773484 570583934 /nfs/dbraw/zinc/58/39/34/570583934.db2.gz GSOPSUTUSSONSW-CQSZACIVSA-N 0 0 377.850 6.262 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1 ZINC000064896623 570584066 /nfs/dbraw/zinc/58/40/66/570584066.db2.gz HOQNXVGAIMZBGI-UHFFFAOYSA-N 0 0 388.858 5.148 50 0 GKAARN Fc1ccc(Nc2nc(-c3ccccc3Cl)nc3cc(Cl)ccc32)cc1 ZINC000006773638 570584109 /nfs/dbraw/zinc/58/41/09/570584109.db2.gz MMRZVJRHCDXRJU-UHFFFAOYSA-N 0 0 384.241 6.486 50 0 GKAARN Brc1cccc(-c2nc3ccccc3c(NCc3ccccc3)n2)c1 ZINC000006775246 570584804 /nfs/dbraw/zinc/58/48/04/570584804.db2.gz UDGJOOCRCIKXCV-UHFFFAOYSA-N 0 0 390.284 5.671 50 0 GKAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(Cl)cc1Cl ZINC000001884873 570585872 /nfs/dbraw/zinc/58/58/72/570585872.db2.gz NZAGTARCWQEYRI-LHHJGKSTSA-N 0 0 387.049 5.645 50 0 GKAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(C2CCCCC2)cc1 ZINC000005401356 570586309 /nfs/dbraw/zinc/58/63/09/570586309.db2.gz 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Cc1c(C(=O)NC(C)(C)C)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000006787308 570592976 /nfs/dbraw/zinc/59/29/76/570592976.db2.gz CEXPYWUJBSZUPC-UHFFFAOYSA-N 0 0 398.475 5.880 50 0 GKAARN CCCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000005431203 570593204 /nfs/dbraw/zinc/59/32/04/570593204.db2.gz DIKFLBAXAIMGKF-UHFFFAOYSA-N 0 0 387.479 5.414 50 0 GKAARN COc1cccc(-c2nc(CSc3nnc(-c4cccc(C)c4)o3)cs2)c1 ZINC000005434682 570593586 /nfs/dbraw/zinc/59/35/86/570593586.db2.gz VCUIIAGWTAKWGY-UHFFFAOYSA-N 0 0 395.509 5.469 50 0 GKAARN CCCCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000002659736 570593664 /nfs/dbraw/zinc/59/36/64/570593664.db2.gz CKDQNQHCYODVQP-WUKNDPDISA-N 0 0 387.527 5.510 50 0 GKAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@H](O)c1ccccc1 ZINC000005446775 570594586 /nfs/dbraw/zinc/59/45/86/570594586.db2.gz PBFZSWXDPNPAAM-DHVCVAGQSA-N 0 0 386.472 5.759 50 0 GKAARN Nn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1cccc(Cl)c1 ZINC000006788826 570595058 /nfs/dbraw/zinc/59/50/58/570595058.db2.gz LHWNVTAIPCYZNG-UHFFFAOYSA-N 0 0 392.915 5.272 50 0 GKAARN COCc1c(C(=O)Nc2ccc(OC)c(Cl)c2)sc2cccc(F)c21 ZINC000006789335 570595141 /nfs/dbraw/zinc/59/51/41/570595141.db2.gz XPFOYTJUUDCXBG-UHFFFAOYSA-N 0 0 379.840 5.101 50 0 GKAARN CSc1nc2cc(Oc3ccc4ccccc4c3Cl)c(Cl)cc2[nH]1 ZINC000005445811 570595297 /nfs/dbraw/zinc/59/52/97/570595297.db2.gz DIRWTZXEMWXPIK-UHFFFAOYSA-N 0 0 375.280 6.537 50 0 GKAARN CN(Cc1nc2ccccc2s1)C(=O)COc1ccccc1-c1ccccc1 ZINC000006789768 570595507 /nfs/dbraw/zinc/59/55/07/570595507.db2.gz HNNVHSHKYHAASW-UHFFFAOYSA-N 0 0 388.492 5.001 50 0 GKAARN Cc1ccccc1-c1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c2cccc(Cl)c2n1 ZINC000006789856 570595532 /nfs/dbraw/zinc/59/55/32/570595532.db2.gz WIOJSSMHSAOOAV-IRXDYDNUSA-N 0 0 392.930 6.267 50 0 GKAARN C[C@H]1Cc2ccccc2N1P1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000005446818 570595797 /nfs/dbraw/zinc/59/57/97/570595797.db2.gz KBGJNBINSHUYFQ-IBGZPJMESA-N 0 0 399.430 6.743 50 0 GKAARN C[C@@H]1Cc2ccccc2N1P1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000005446817 570595817 /nfs/dbraw/zinc/59/58/17/570595817.db2.gz KBGJNBINSHUYFQ-LJQANCHMSA-N 0 0 399.430 6.743 50 0 GKAARN O=C(Nc1ccc2ccccc2c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000003184018 570596080 /nfs/dbraw/zinc/59/60/80/570596080.db2.gz GGVSNCAECZMQQZ-UHFFFAOYSA-N 0 0 380.472 6.369 50 0 GKAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000003194117 570596180 /nfs/dbraw/zinc/59/61/80/570596180.db2.gz YHJKCIGDXGBPAI-UHFFFAOYSA-N 0 0 386.382 5.022 50 0 GKAARN CC1=CC(C)(C)Nc2cc(-c3ncc(C(Cl)=C(Cl)Cl)cn3)ccc21 ZINC000003069150 570596429 /nfs/dbraw/zinc/59/64/29/570596429.db2.gz XWSQUYPTJJPNOF-UHFFFAOYSA-N 0 0 380.706 6.094 50 0 GKAARN CC(C)(C)N(P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(C)(C)C ZINC000003122351 570596728 /nfs/dbraw/zinc/59/67/28/570596728.db2.gz ZBBOXTSVJBXURE-UHFFFAOYSA-N 0 0 395.953 6.938 50 0 GKAARN Clc1ccccc1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003244524 570596769 /nfs/dbraw/zinc/59/67/69/570596769.db2.gz 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Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C3CCCCC3)c2C(=O)[O-])cc1 ZINC000006795488 570598655 /nfs/dbraw/zinc/59/86/55/570598655.db2.gz FAVZYUKBWMLZQX-UHFFFAOYSA-N 0 0 390.527 5.427 50 0 GKAARN Cc1ccc(Sc2c3ccccc3[nH]c2C(=O)NCc2ccccc2C)cc1 ZINC000006798770 570598778 /nfs/dbraw/zinc/59/87/78/570598778.db2.gz QZYYNDDYCARPDU-UHFFFAOYSA-N 0 0 386.520 5.866 50 0 GKAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C1CCCC1 ZINC000003231051 570599109 /nfs/dbraw/zinc/59/91/09/570599109.db2.gz XXUMOGSIUMZFGS-UHFFFAOYSA-N 0 0 377.893 5.374 50 0 GKAARN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1F ZINC000003235466 570599348 /nfs/dbraw/zinc/59/93/48/570599348.db2.gz BUIIXZUWTIOUDP-UHFFFAOYSA-N 0 0 399.805 5.067 50 0 GKAARN O=C(Oc1ccccc1Cc1ccccc1)c1sc2ccccc2c1Cl ZINC000003290584 570599734 /nfs/dbraw/zinc/59/97/34/570599734.db2.gz XXVOXCWSKTZPCQ-UHFFFAOYSA-N 0 0 378.880 6.365 50 0 GKAARN Fc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 ZINC000005460127 570600165 /nfs/dbraw/zinc/60/01/65/570600165.db2.gz 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Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NCc2ccccc2)cc1 ZINC000003307977 570602582 /nfs/dbraw/zinc/60/25/82/570602582.db2.gz HPMGVEDQQWSWOC-WUKNDPDISA-N 0 0 393.490 5.177 50 0 GKAARN CCCCc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000003309681 570602608 /nfs/dbraw/zinc/60/26/08/570602608.db2.gz YLNSAZILXPRPPA-UHFFFAOYSA-N 0 0 386.520 6.558 50 0 GKAARN C[C@H](OC(=O)CSc1ccc2ccccc2c1)c1nnc(-c2cccs2)o1 ZINC000005466477 570602717 /nfs/dbraw/zinc/60/27/17/570602717.db2.gz YCTQASHZYFJPDD-ZDUSSCGKSA-N 0 0 396.493 5.348 50 0 GKAARN Cc1cccc(-n2cc(CN(C)[C@@H](C)c3ccon3)c(-c3cccc(F)c3)n2)c1 ZINC000012057211 570603041 /nfs/dbraw/zinc/60/30/41/570603041.db2.gz WYWWSFHVSWCUOF-KRWDZBQOSA-N 0 0 390.462 5.168 50 0 GKAARN O=C(OCc1c(Cl)cccc1Cl)c1ccccc1C(=O)c1ccccc1 ZINC000003314005 570603059 /nfs/dbraw/zinc/60/30/59/570603059.db2.gz SBWCWWNGVHLMHO-UHFFFAOYSA-N 0 0 385.246 5.581 50 0 GKAARN Cc1c(C)c(C(=O)Nc2ccc(C(C)C)cc2)n(Cc2ccccc2F)c1C ZINC000006800915 570603237 /nfs/dbraw/zinc/60/32/37/570603237.db2.gz 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COc1ccc(-c2cc3c4c(C)n(C5CCCCC5)c(C)c4c(C)nn3c2)cc1 ZINC000006811701 570616168 /nfs/dbraw/zinc/61/61/68/570616168.db2.gz TXTQCIQJPOFRTF-UHFFFAOYSA-N 0 0 387.527 6.395 50 0 GKAARN CCCCCCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000006811477 570616244 /nfs/dbraw/zinc/61/62/44/570616244.db2.gz WXXVNPNYAVBQFR-UHFFFAOYSA-N 0 0 378.472 5.861 50 0 GKAARN Cc1ccc2c(c1)nc(-c1ccc(NS(C)(=O)=O)cc1)cc2-c1ccccc1 ZINC000225783313 570617233 /nfs/dbraw/zinc/61/72/33/570617233.db2.gz BUCSDEMZZMGTDQ-UHFFFAOYSA-N 0 0 388.492 5.249 50 0 GKAARN CCCn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2cc(C)ccc21 ZINC000064963687 570617601 /nfs/dbraw/zinc/61/76/01/570617601.db2.gz YHIXAPVQSULZLH-UHFFFAOYSA-N 0 0 379.847 5.090 50 0 GKAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000033003960 570617795 /nfs/dbraw/zinc/61/77/95/570617795.db2.gz LRZDMAAXYGQCGU-NRFANRHFSA-N 0 0 386.451 5.599 50 0 GKAARN O=C(C1CCC1)N(Cc1cccc(OCCc2cccs2)c1)C1CCCC1 ZINC000012149217 570617989 /nfs/dbraw/zinc/61/79/89/570617989.db2.gz 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CCCN(CCC)C(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1 ZINC000033010450 570622120 /nfs/dbraw/zinc/62/21/20/570622120.db2.gz JRCNWFGKVZRHGP-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN CCCCN(CC)C(=O)c1ccc(Nc2cc(-c3cccc(C)c3)ncn2)cc1 ZINC000033010662 570622257 /nfs/dbraw/zinc/62/22/57/570622257.db2.gz BQLHHPQBDZDHHM-UHFFFAOYSA-N 0 0 388.515 5.458 50 0 GKAARN Cc1cccc(NC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)c1 ZINC000033010609 570622260 /nfs/dbraw/zinc/62/22/60/570622260.db2.gz IWRJJHTUYLDDGY-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN O=C(Oc1cccc(F)c1)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000064977299 570622392 /nfs/dbraw/zinc/62/23/92/570622392.db2.gz SATJCBWEZDXWOC-UHFFFAOYSA-N 0 0 393.801 5.002 50 0 GKAARN Cc1ccccc1NC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033010604 570622344 /nfs/dbraw/zinc/62/23/44/570622344.db2.gz KQKGGPOGWYAIRE-UHFFFAOYSA-N 0 0 398.441 5.587 50 0 GKAARN O=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)c1nsc2ccccc21 ZINC000064972538 570622500 /nfs/dbraw/zinc/62/25/00/570622500.db2.gz 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CCN(CC)C(=S)N=P(N1CCCCC1)(N1CCCCC1)C(C)(C)C ZINC000005525235 570624754 /nfs/dbraw/zinc/62/47/54/570624754.db2.gz CBFQDBMODUJNHS-UHFFFAOYSA-N 0 0 386.590 5.415 50 0 GKAARN C[C@@H](c1ccco1)N(C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)c1ccccn1 ZINC000005526072 570624851 /nfs/dbraw/zinc/62/48/51/570624851.db2.gz NLQVQAITVCMXKF-PZXFSNNKSA-N 0 0 392.543 6.156 50 0 GKAARN COc1ccc(CSc2nccc(-c3cc(Cl)sc3Cl)n2)cc1 ZINC000005527005 570625406 /nfs/dbraw/zinc/62/54/06/570625406.db2.gz WIUBHEZHGWSDAY-UHFFFAOYSA-N 0 0 383.325 5.813 50 0 GKAARN CCCN(C(=O)Nc1ccccc1OCC)c1nc(-c2ccccc2)cs1 ZINC000006826604 570625442 /nfs/dbraw/zinc/62/54/42/570625442.db2.gz MGIROUFBJQPQHZ-UHFFFAOYSA-N 0 0 381.501 5.657 50 0 GKAARN Cc1noc(-c2sccc2NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000207959100 570626112 /nfs/dbraw/zinc/62/61/12/570626112.db2.gz SIJCSWOYJJEEOO-UHFFFAOYSA-N 0 0 389.480 5.267 50 0 GKAARN FC(F)(F)c1cccc([C@@H]2CCN(Cc3cc[nH]n3)c3ccccc3S2)c1 ZINC000012218840 570626916 /nfs/dbraw/zinc/62/69/16/570626916.db2.gz 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GKAARN COc1cccc(CSc2nc(Oc3cccc(F)c3)cc(C(C)C)n2)c1 ZINC000036349772 570633319 /nfs/dbraw/zinc/63/33/19/570633319.db2.gz LIZGJNOLVKTZAX-UHFFFAOYSA-N 0 0 384.476 5.832 50 0 GKAARN COc1cccc(CSc2nc(Oc3ccc(C)cc3)cc(C(C)C)n2)c1 ZINC000036349770 570633356 /nfs/dbraw/zinc/63/33/56/570633356.db2.gz QAYIZWYWWQIEOS-UHFFFAOYSA-N 0 0 380.513 6.002 50 0 GKAARN CC(C)c1cc(Oc2cccc(F)c2)nc(SCc2cccc(Cl)c2)n1 ZINC000036349660 570633375 /nfs/dbraw/zinc/63/33/75/570633375.db2.gz JDDNSRAOAKYNAI-UHFFFAOYSA-N 0 0 388.895 6.477 50 0 GKAARN Cc1cccc(CSc2nc(Oc3ccccc3Cl)cc(C(C)C)n2)c1 ZINC000036349612 570633401 /nfs/dbraw/zinc/63/34/01/570633401.db2.gz HSSLPNBSPCLIDP-UHFFFAOYSA-N 0 0 384.932 6.646 50 0 GKAARN Cc1ccccc1Oc1cc(C(C)C)nc(SCc2ccc(F)cc2F)n1 ZINC000036349762 570633426 /nfs/dbraw/zinc/63/34/26/570633426.db2.gz CWDJPMPCVZRPBX-UHFFFAOYSA-N 0 0 386.467 6.271 50 0 GKAARN CC(C)c1cc(Oc2ccc(F)cc2F)nc(SCc2cccc(F)c2)n1 ZINC000036349692 570633465 /nfs/dbraw/zinc/63/34/65/570633465.db2.gz OFXBPNRJDPZHBG-UHFFFAOYSA-N 0 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O=C1OC(c2ccccc2)=N/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000005556766 570639621 /nfs/dbraw/zinc/63/96/21/570639621.db2.gz XSRAGTQBZYOTJP-PXLXIMEGSA-N 0 0 378.431 5.034 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1-c1ccccc1F ZINC000006837128 570639623 /nfs/dbraw/zinc/63/96/23/570639623.db2.gz PLXCWBWPJILBSI-UHFFFAOYSA-N 0 0 398.409 5.095 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(COc5ccccc5)nc4c23)C1 ZINC000005556555 570639642 /nfs/dbraw/zinc/63/96/42/570639642.db2.gz MDXYAOHYHOCJFI-CQSZACIVSA-N 0 0 392.528 5.069 50 0 GKAARN CCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2CC)c1 ZINC000006838945 570639628 /nfs/dbraw/zinc/63/96/28/570639628.db2.gz VHFWGOHSPLXKDY-HSZRJFAPSA-N 0 0 396.556 5.546 50 0 GKAARN CC(C)c1ccc(CSc2nnc(NC(=O)CCC3CCCC3)s2)cc1 ZINC000006836852 570639777 /nfs/dbraw/zinc/63/97/77/570639777.db2.gz WKIOIMSJLXSHSI-UHFFFAOYSA-N 0 0 389.590 5.863 50 0 GKAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C(C)(C)C)cc2)c1C ZINC000006836803 570639791 /nfs/dbraw/zinc/63/97/91/570639791.db2.gz 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570741765 /nfs/dbraw/zinc/74/17/65/570741765.db2.gz GPRCYBDIIIBPOL-UHFFFAOYSA-N 0 0 379.843 5.628 50 0 biogenic GKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1cccc2c1CCC[C@H]2O ZINC000032691372 570742179 /nfs/dbraw/zinc/74/21/79/570742179.db2.gz IONGWGCHMKUCRJ-OAQYLSRUSA-N 0 0 381.516 5.321 50 0 GKAARN Clc1ccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000013030665 570742681 /nfs/dbraw/zinc/74/26/81/570742681.db2.gz KUAXAPWRGYIRSQ-UHFFFAOYSA-N 0 0 383.278 5.970 50 0 GKAARN Cc1ccc(-c2cn3cc(-c4ccc(Cl)cc4Cl)c4c3n2CCCC4)cc1 ZINC000007026776 570742755 /nfs/dbraw/zinc/74/27/55/570742755.db2.gz QXNPISLBIPSOEB-UHFFFAOYSA-N 0 0 395.333 7.026 50 0 GKAARN O=C1Nc2ccccc2S[C@H](c2cccc3ccccc32)[C@@H]1c1ccccc1 ZINC000000984728 570743418 /nfs/dbraw/zinc/74/34/18/570743418.db2.gz IGFQMKXQRLVIKV-BJKOFHAPSA-N 0 0 381.500 6.409 50 0 GKAARN Cc1cc(OCCCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1Cl ZINC000013042367 570743662 /nfs/dbraw/zinc/74/36/62/570743662.db2.gz NIHHHGUHPKKHHX-UHFFFAOYSA-N 0 0 387.951 6.693 50 0 GKAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)c1ccccc1 ZINC000013041333 570743690 /nfs/dbraw/zinc/74/36/90/570743690.db2.gz ADJHLKPMVFLKPX-UHFFFAOYSA-N 0 0 398.450 5.251 50 0 GKAARN Cc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1-c1nc2ncccc2o1 ZINC000000986621 570743822 /nfs/dbraw/zinc/74/38/22/570743822.db2.gz PAORUMLQXFBCSE-UHFFFAOYSA-N 0 0 393.446 5.912 50 0 GKAARN C[C@H]1C[C@@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(N)cc1 ZINC000000988152 570743914 /nfs/dbraw/zinc/74/39/14/570743914.db2.gz XMKKRVVUMDXINS-LHSJRXKWSA-N 0 0 393.437 5.139 50 0 GKAARN Cc1nc2c(sc3c2[C@@H](c2ccccc2)CC(c2cccs2)=N3)c(=O)o1 ZINC000000989335 570743916 /nfs/dbraw/zinc/74/39/16/570743916.db2.gz MMJKTADZSUWMGQ-CYBMUJFWSA-N 0 0 378.478 5.218 50 0 GKAARN Cc1ccc(Cn2c(COc3cc(C)ccc3C(C)C)nc3ccccc32)cc1 ZINC000013063151 570744643 /nfs/dbraw/zinc/74/46/43/570744643.db2.gz UIKGFTQMQRGCMJ-UHFFFAOYSA-N 0 0 384.523 6.404 50 0 GKAARN CCn1cc(-c2nc(C)c(C(=O)Nc3ccc(F)c(F)c3)s2)c2cccnc21 ZINC000065240891 570744942 /nfs/dbraw/zinc/74/49/42/570744942.db2.gz ZJFGNVHDOKLZSI-UHFFFAOYSA-N 0 0 398.438 5.019 50 0 GKAARN O=C(c1cccs1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000000991460 570745039 /nfs/dbraw/zinc/74/50/39/570745039.db2.gz RCHNWCWZERRWOV-QFIPXVFZSA-N 0 0 382.488 5.893 50 0 GKAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCc1ccco1 ZINC000021797993 570745865 /nfs/dbraw/zinc/74/58/65/570745865.db2.gz HHQFDUMVOJAUNC-UHFFFAOYSA-N 0 0 380.451 5.601 50 0 GKAARN COc1cc(C(=O)Oc2cccc(Cl)c2Cl)cc(Cl)c1OC(C)C ZINC000013095353 570745883 /nfs/dbraw/zinc/74/58/83/570745883.db2.gz ZDOVYMUZMLHTBG-UHFFFAOYSA-N 0 0 389.662 5.662 50 0 GKAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCc1cccc(Cl)c1 ZINC000033059898 570746937 /nfs/dbraw/zinc/74/69/37/570746937.db2.gz LJBOFHNFFGOXPL-UHFFFAOYSA-N 0 0 395.915 5.287 50 0 GKAARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc(Br)cc1 ZINC000001021977 570747187 /nfs/dbraw/zinc/74/71/87/570747187.db2.gz FFCYDPVVIIJFAT-ZOXUKVPXSA-N 0 0 397.316 5.317 50 0 GKAARN Oc1ccc(Cl)cc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1 ZINC000013124969 570747434 /nfs/dbraw/zinc/74/74/34/570747434.db2.gz BGEQLFZGFNMJFG-UHFFFAOYSA-N 0 0 382.744 5.527 50 0 aggregator GKAARN Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCC4)c(C)c1 ZINC000001029504 570747783 /nfs/dbraw/zinc/74/77/83/570747783.db2.gz HQPUBTZZDNRTEL-UHFFFAOYSA-N 0 0 399.519 5.277 50 0 GKAARN Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)c2cccc(C(F)(F)F)c2)cc1 ZINC000001042052 570748295 /nfs/dbraw/zinc/74/82/95/570748295.db2.gz UPNSMEOTGCFBPR-CYBMUJFWSA-N 0 0 393.434 5.544 50 0 GKAARN O=C(OCc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000013133836 570748350 /nfs/dbraw/zinc/74/83/50/570748350.db2.gz VPUGUYRLJIGNBN-YQQQUEKLSA-N 0 0 384.566 5.496 50 0 GKAARN Cc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c(C)c1 ZINC000033062445 570748545 /nfs/dbraw/zinc/74/85/45/570748545.db2.gz KDMXXZGUYSOVIW-NRFANRHFSA-N 0 0 383.495 5.738 50 0 GKAARN Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1CC(Cl)(Cl)Cl ZINC000001051149 570748699 /nfs/dbraw/zinc/74/86/99/570748699.db2.gz JASKFDWTAMVZLA-UHFFFAOYSA-N 0 0 399.130 5.662 50 0 GKAARN Cc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000033062259 570748710 /nfs/dbraw/zinc/74/87/10/570748710.db2.gz PVSMXCUGPBXRKG-OAQYLSRUSA-N 0 0 387.458 5.569 50 0 GKAARN CCC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000004413704 570749270 /nfs/dbraw/zinc/74/92/70/570749270.db2.gz JPOWIHSCCIJXSK-MRXNPFEDSA-N 0 0 380.513 5.406 50 0 GKAARN Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(C(C)C)cc3)[nH]c12 ZINC000033064129 570749439 /nfs/dbraw/zinc/74/94/39/570749439.db2.gz KXFNQBQZORDYOX-UHFFFAOYSA-N 0 0 394.540 5.140 50 0 GKAARN Brc1ccc2c(c1)C1(CC=CC1)c1cc(Br)ccc1-2 ZINC000063142576 570749922 /nfs/dbraw/zinc/74/99/22/570749922.db2.gz QPQANYVXSVAJFZ-UHFFFAOYSA-N 0 0 376.091 5.828 50 0 GKAARN Cc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 ZINC000013165412 570749874 /nfs/dbraw/zinc/74/98/74/570749874.db2.gz URJJODMEUNAKFI-UHFFFAOYSA-N 0 0 388.492 5.359 50 0 GKAARN Cc1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)o1 ZINC000001080137 570750796 /nfs/dbraw/zinc/75/07/96/570750796.db2.gz MFWNSDZRXMNLKW-RFEBNVGISA-N 0 0 382.544 5.266 50 0 GKAARN Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000001080595 570751161 /nfs/dbraw/zinc/75/11/61/570751161.db2.gz BLKBFRWEZKDRDP-KRWDZBQOSA-N 0 0 383.463 5.112 50 0 GKAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCCC[C@@H]1C ZINC000063855668 570751638 /nfs/dbraw/zinc/75/16/38/570751638.db2.gz QHKAKRJOBCPMNK-KRWDZBQOSA-N 0 0 376.504 5.002 50 0 GKAARN CCc1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc2c1 ZINC000001085258 570751672 /nfs/dbraw/zinc/75/16/72/570751672.db2.gz FCTZNEZYZMBGPZ-UHFFFAOYSA-N 0 0 376.843 5.963 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3c(C)cccc3C)c12 ZINC000036615877 570751653 /nfs/dbraw/zinc/75/16/53/570751653.db2.gz WCXRHBSMUZVYRV-UHFFFAOYSA-N 0 0 388.446 5.046 50 0 GKAARN Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnc(C(C)C)nc3)nc2c1C ZINC000063857361 570751872 /nfs/dbraw/zinc/75/18/72/570751872.db2.gz JZIYHNDPWKGAAF-MRXNPFEDSA-N 0 0 388.515 5.057 50 0 GKAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1 ZINC000001088700 570752160 /nfs/dbraw/zinc/75/21/60/570752160.db2.gz WXTOZZOBIZKQGI-RUZDIDTESA-N 0 0 396.490 5.273 50 0 GKAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(C)c3)c12 ZINC000036616469 570752483 /nfs/dbraw/zinc/75/24/83/570752483.db2.gz URHUXUDAVHJGHG-UHFFFAOYSA-N 0 0 382.467 5.167 50 0 GKAARN Cc1ccc2cccc(Oc3ncnc4scc(-c5ccc(F)cc5)c43)c2n1 ZINC000001096560 570752588 /nfs/dbraw/zinc/75/25/88/570752588.db2.gz VYHOMFYBIQDKJP-UHFFFAOYSA-N 0 0 387.439 6.146 50 0 GKAARN CCCCCc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)nc1 ZINC000004419979 570752950 /nfs/dbraw/zinc/75/29/50/570752950.db2.gz MAFMWDCKUSWADI-UHFFFAOYSA-N 0 0 392.930 6.695 50 0 GKAARN O=C(N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000003150348 570753138 /nfs/dbraw/zinc/75/31/38/570753138.db2.gz PBGTYZJPHWFPCP-AWEZNQCLSA-N 0 0 395.138 5.558 50 0 GKAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cccc(Cl)c1 ZINC000036616854 570753894 /nfs/dbraw/zinc/75/38/94/570753894.db2.gz IOLCEZYRXMNZNU-UHFFFAOYSA-N 0 0 376.847 5.024 50 0 GKAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3cccnc3Cl)cc12 ZINC000013362723 570753998 /nfs/dbraw/zinc/75/39/98/570753998.db2.gz ISLDLDYSYXATTJ-UHFFFAOYSA-N 0 0 394.906 5.080 50 0 GKAARN Cc1nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)n(C2CCCC2)c1C ZINC000007030948 570756430 /nfs/dbraw/zinc/75/64/30/570756430.db2.gz SXQIKVXIXUUIOT-OAHLLOKOSA-N 0 0 397.544 5.331 50 0 GKAARN O=C(COc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000096537841 570756529 /nfs/dbraw/zinc/75/65/29/570756529.db2.gz BPUOMTCFFUFQDI-UHFFFAOYSA-N 0 0 397.268 5.290 50 0 GKAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)n1 ZINC000064800800 570756573 /nfs/dbraw/zinc/75/65/73/570756573.db2.gz BYZSBNBQLPSJQJ-UHFFFAOYSA-N 0 0 399.857 5.005 50 0 GKAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064984165 570757206 /nfs/dbraw/zinc/75/72/06/570757206.db2.gz IFWXQSYVZLHGIL-QFIPXVFZSA-N 0 0 387.520 5.011 50 0 GKAARN COc1ccc(C2(c3ccc(OC)cc3)C=C[C@@H]3c4ccccc4C=C[C@H]3O2)cc1 ZINC000007036804 570757249 /nfs/dbraw/zinc/75/72/49/570757249.db2.gz DWJXATUUXRGHSN-CLJLJLNGSA-N 0 0 396.486 5.713 50 0 GKAARN COc1ccc(C2(c3ccc(OC)cc3)C=C[C@H]3c4ccccc4C=C[C@@H]3O2)cc1 ZINC000007036803 570757283 /nfs/dbraw/zinc/75/72/83/570757283.db2.gz DWJXATUUXRGHSN-UIOOFZCWSA-N 0 0 396.486 5.713 50 0 GKAARN Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@H]2c2cccc(F)c2)cc1C ZINC000064984314 570757391 /nfs/dbraw/zinc/75/73/91/570757391.db2.gz KVMFROHJZHQYRT-FQEVSTJZSA-N 0 0 375.509 5.057 50 0 GKAARN O=S(=O)(NC1CCCCCC1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004624 570757696 /nfs/dbraw/zinc/75/76/96/570757696.db2.gz YCYKDGBFTYNXAQ-UHFFFAOYSA-N 0 0 394.562 5.062 50 0 GKAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc4c(c3)CCC4)c12 ZINC000036614108 570758017 /nfs/dbraw/zinc/75/80/17/570758017.db2.gz NWLFJITUUDNISJ-UHFFFAOYSA-N 0 0 387.414 5.078 50 0 GKAARN CCCCn1c2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036614363 570758118 /nfs/dbraw/zinc/75/81/18/570758118.db2.gz PQQJMUWUSYSPBY-UHFFFAOYSA-N 0 0 385.436 5.001 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3cccc(C)c3C)c2C)c1-c1cccc(C)c1 ZINC000021914363 570758594 /nfs/dbraw/zinc/75/85/94/570758594.db2.gz HQIABTNZNLWFPS-UHFFFAOYSA-N 0 0 384.483 5.191 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3cc(C)ccc3C)c2C)c1-c1ccc(F)cc1 ZINC000021914149 570758679 /nfs/dbraw/zinc/75/86/79/570758679.db2.gz ALCXECFSWCGZHY-UHFFFAOYSA-N 0 0 388.446 5.021 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3C)c2C)c1-c1ccccc1 ZINC000021914784 570758688 /nfs/dbraw/zinc/75/86/88/570758688.db2.gz ZCDSMZMJIQSQSW-UHFFFAOYSA-N 0 0 390.874 5.227 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(F)cc1 ZINC000021914169 570758689 /nfs/dbraw/zinc/75/86/89/570758689.db2.gz HOYHDFPCJMVQBQ-UHFFFAOYSA-N 0 0 388.446 5.021 50 0 GKAARN c1ccc(-c2nc(Nc3ccc4ccccc4c3)sc2-c2ccccc2)cc1 ZINC000096558693 570759015 /nfs/dbraw/zinc/75/90/15/570759015.db2.gz JXLLIHPRUAVLRC-UHFFFAOYSA-N 0 0 378.500 7.374 50 0 GKAARN Brc1ccc(/C=C/C=C/c2ccc(Br)s2)s1 ZINC000096558635 570759040 /nfs/dbraw/zinc/75/90/40/570759040.db2.gz DMGBVYDBUAGUCI-ZPUQHVIOSA-N 0 0 376.138 6.061 50 0 GKAARN C[C@@H](c1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000013570548 570759335 /nfs/dbraw/zinc/75/93/35/570759335.db2.gz QNNUHVJICMZNBP-SNVBAGLBSA-N 0 0 393.299 5.641 50 0 GKAARN CC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c21 ZINC000036618434 570759436 /nfs/dbraw/zinc/75/94/36/570759436.db2.gz UECZACWVNOAEGH-LBPRGKRZSA-N 0 0 395.459 5.286 50 0 GKAARN Cc1ccc(-c2noc3nc(C4CC4)cc(C(=O)N4CCCC[C@@H]4C)c32)cc1 ZINC000036618472 570759851 /nfs/dbraw/zinc/75/98/51/570759851.db2.gz SXNUXFWGFFMCAU-HNNXBMFYSA-N 0 0 375.472 5.090 50 0 GKAARN Cc1ccc(-c2noc3nc(C4CC4)cc(C(=O)N4CCCCCC4)c32)cc1 ZINC000036618453 570759886 /nfs/dbraw/zinc/75/98/86/570759886.db2.gz LKALGQMEZVZPDW-UHFFFAOYSA-N 0 0 375.472 5.092 50 0 GKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)oc2c1 ZINC000004426562 570760158 /nfs/dbraw/zinc/76/01/58/570760158.db2.gz RCOFZYNGVSSWPK-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN CC(C)Cc1cc(Cn2cnc(-c3ccccc3)c2-c2cnn(C(C)C)c2)on1 ZINC000065371060 570761629 /nfs/dbraw/zinc/76/16/29/570761629.db2.gz OGVVIMARKQASMT-UHFFFAOYSA-N 0 0 389.503 5.229 50 0 GKAARN CC[C@@H](NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1)c1ccc(OC)cc1 ZINC000032721518 570761901 /nfs/dbraw/zinc/76/19/01/570761901.db2.gz LXHSYFJAMWGWBH-WAIKUNEKSA-N 0 0 377.484 5.228 50 0 GKAARN Cc1csc(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)n1 ZINC000013598138 570761965 /nfs/dbraw/zinc/76/19/65/570761965.db2.gz XQAMSKBUGFVQFY-LLVKDONJSA-N 0 0 385.539 5.270 50 0 GKAARN Cc1cc(C)cc(/N=c2\ssc3c2-c2cc(C)cc(C)c2NC3(C)C)c1 ZINC000013617663 570763364 /nfs/dbraw/zinc/76/33/64/570763364.db2.gz OYWMJVASMVWUSM-LNVKXUELSA-N 0 0 380.582 6.603 50 0 GKAARN CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000032719499 570763686 /nfs/dbraw/zinc/76/36/86/570763686.db2.gz WEBIXIHENLABFF-CQSZACIVSA-N 0 0 387.932 5.716 50 0 GKAARN Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2[C@H](C)CCCC(C)(C)O)n1 ZINC000065387347 570763884 /nfs/dbraw/zinc/76/38/84/570763884.db2.gz FQJFVOQREZHDRJ-LJQANCHMSA-N 0 0 394.563 5.108 50 0 GKAARN Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000036620386 570764390 /nfs/dbraw/zinc/76/43/90/570764390.db2.gz CRXYRLSOFLZTCZ-QHCPKHFHSA-N 0 0 383.557 5.569 50 0 GKAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000036620584 570764593 /nfs/dbraw/zinc/76/45/93/570764593.db2.gz IHZXIXPHETTYEA-HSZRJFAPSA-N 0 0 383.557 5.569 50 0 GKAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@H]1c1ccccc1F ZINC000036619742 570765564 /nfs/dbraw/zinc/76/55/64/570765564.db2.gz YFAZBBUKDHNBLC-QFIPXVFZSA-N 0 0 387.520 5.399 50 0 GKAARN Cc1nn2c(ncc(C(=O)Nc3c(C)cccc3C)c2C)c1-c1ccc(F)cc1 ZINC000021914101 570766601 /nfs/dbraw/zinc/76/66/01/570766601.db2.gz SMHSPBNPXIMCRM-UHFFFAOYSA-N 0 0 388.446 5.021 50 0 GKAARN O[C@H](Cn1cnc(-c2ccccc2)c1-c1cc2ccccc2o1)c1cccnc1 ZINC000065405754 570766632 /nfs/dbraw/zinc/76/66/32/570766632.db2.gz IOWNEJNHMJAFBR-HXUWFJFHSA-N 0 0 381.435 5.092 50 0 GKAARN OCCCCn1cnc(-c2ccccc2)c1-c1ccc2cccc(Cl)c2n1 ZINC000065404767 570766677 /nfs/dbraw/zinc/76/66/77/570766677.db2.gz XOEYQNNAHCFTRU-UHFFFAOYSA-N 0 0 377.875 5.191 50 0 GKAARN COc1ccccc1Cn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000013648286 570766960 /nfs/dbraw/zinc/76/69/60/570766960.db2.gz USFNEGFNDJYVSU-FQEVSTJZSA-N 0 0 398.550 6.444 50 0 GKAARN O=C(c1cccc2ccccc21)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206992383 570767200 /nfs/dbraw/zinc/76/72/00/570767200.db2.gz IERMZVFEENAITQ-NRFANRHFSA-N 0 0 381.928 5.814 50 0 GKAARN CN(Cc1nc2ccccc2s1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000036624936 570767613 /nfs/dbraw/zinc/76/76/13/570767613.db2.gz ARBBIGMWEYCIBJ-UHFFFAOYSA-N 0 0 386.476 5.397 50 0 GKAARN O=C(CSc1ccc(F)cc1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206993657 570767782 /nfs/dbraw/zinc/76/77/82/570767782.db2.gz XDRRFMKCOVOQLF-GOSISDBHSA-N 0 0 395.952 5.278 50 0 GKAARN CSc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206992873 570767785 /nfs/dbraw/zinc/76/77/85/570767785.db2.gz XHPMRDRMPFMTOQ-GOSISDBHSA-N 0 0 377.962 5.382 50 0 GKAARN Cc1nc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n(C2CCCCC2)c1C ZINC000032724301 570769129 /nfs/dbraw/zinc/76/91/29/570769129.db2.gz DBBJZYSHTQDHGO-INIZCTEOSA-N 0 0 381.545 5.850 50 0 GKAARN COc1ccccc1-c1cc(NC(=O)c2ccccc2C)n(-c2ccccc2)n1 ZINC000021944924 570772889 /nfs/dbraw/zinc/77/28/89/570772889.db2.gz HWYUKOSAVHMHRW-UHFFFAOYSA-N 0 0 383.451 5.109 50 0 GKAARN COC(=O)C(c1ccc(OC)c2ccccc21)c1ccc(OC)c2ccccc21 ZINC000096601886 570774183 /nfs/dbraw/zinc/77/41/83/570774183.db2.gz JOAXDQHISNUODO-UHFFFAOYSA-N 0 0 386.447 5.315 50 0 GKAARN Cc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(c2ccccc2)=NO3)cc1 ZINC000096601909 570774251 /nfs/dbraw/zinc/77/42/51/570774251.db2.gz OBGGVICBHZKFLJ-HOYKHHGWSA-N 0 0 386.520 5.931 50 0 GKAARN Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1ccccc1)O2 ZINC000013688334 570774734 /nfs/dbraw/zinc/77/47/34/570774734.db2.gz ZQCXPUWIDFXPJG-YLJYHZDGSA-N 0 0 395.256 5.284 50 0 GKAARN c1ccc(-c2cc([C@@H]3c4ccccc4-c4ncccc43)c(-c3ccccc3)nn2)cc1 ZINC000096602602 570774799 /nfs/dbraw/zinc/77/47/99/570774799.db2.gz DBSKZBPOZJFAMA-AREMUKBSSA-N 0 0 397.481 6.366 50 0 GKAARN C[C@H](Sc1ncccc1C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl ZINC000022996662 570775285 /nfs/dbraw/zinc/77/52/85/570775285.db2.gz RTKVJEMEPXWBLA-ZETCQYMHSA-N 0 0 386.748 6.021 50 0 GKAARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2cc(Cl)ccc2O)C1=O ZINC000097990725 570775313 /nfs/dbraw/zinc/77/53/13/570775313.db2.gz KWKCSDBGGGWSMY-CPNJWEJPSA-N 0 0 389.838 5.082 50 0 GKAARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 ZINC000004644436 570776103 /nfs/dbraw/zinc/77/61/03/570776103.db2.gz BHACFEFDXOYMQY-UHFFFAOYSA-N 0 0 397.261 6.362 50 0 GKAARN Cc1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)Nc3ccc(Cl)cc3)nn21 ZINC000004644340 570776117 /nfs/dbraw/zinc/77/61/17/570776117.db2.gz FVBBAOGMLLHDRU-UHFFFAOYSA-N 0 0 397.265 5.264 50 0 GKAARN Cn1c2ccc3ccccc3c2s/c1=N\C(=O)c1cccc(C(F)(F)F)c1 ZINC000100842155 570776156 /nfs/dbraw/zinc/77/61/56/570776156.db2.gz GHDWLLMQGQCGNW-CLCOLTQESA-N 0 0 386.398 5.153 50 0 GKAARN Cc1onc(-c2ccccc2)c1C1=N/C(=C\c2cccc3ccccc23)C(=O)O1 ZINC000004644593 570776910 /nfs/dbraw/zinc/77/69/10/570776910.db2.gz KRCANSRVHJACEX-ZHZULCJRSA-N 0 0 380.403 5.148 50 0 GKAARN Cc1ccc(-c2nc(CSc3nncn3-c3ccc(C)cc3C)co2)c(C)c1 ZINC000023006581 570777742 /nfs/dbraw/zinc/77/77/42/570777742.db2.gz BBTONANXVFQNTK-UHFFFAOYSA-N 0 0 390.512 5.448 50 0 GKAARN O=C1CS[C@@H](c2ccccc2Br)N1c1ccc(F)cc1Cl ZINC000002949796 570778441 /nfs/dbraw/zinc/77/84/41/570778441.db2.gz BJLVAOCJPJEAGC-HNNXBMFYSA-N 0 0 386.673 5.020 50 0 GKAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(C)c(F)c3)c2n1 ZINC000007062349 570781758 /nfs/dbraw/zinc/78/17/58/570781758.db2.gz FDYLDSQWMZSMJQ-UHFFFAOYSA-N 0 0 393.245 5.315 50 0 GKAARN O=C(COc1cccc2ccccc21)Nc1ccccc1C(=O)c1ccccc1 ZINC000007063592 570782264 /nfs/dbraw/zinc/78/22/64/570782264.db2.gz HIQBZGKPAFNBOC-UHFFFAOYSA-N 0 0 381.431 5.088 50 0 GKAARN COc1ccc(N(Cc2ccco2)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000013731602 570783169 /nfs/dbraw/zinc/78/31/69/570783169.db2.gz AMJMMVXQFWPESY-UHFFFAOYSA-N 0 0 386.835 5.189 50 0 GKAARN CCC[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169620093 570784051 /nfs/dbraw/zinc/78/40/51/570784051.db2.gz LEZGVYQYVCUQBH-HOLAOCEGSA-N 0 0 376.327 6.001 50 0 GKAARN Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 ZINC000013751091 570784956 /nfs/dbraw/zinc/78/49/56/570784956.db2.gz OPEPUFOVTAKYNC-UHFFFAOYSA-N 0 0 388.511 5.120 50 0 GKAARN CCc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000013756551 570785933 /nfs/dbraw/zinc/78/59/33/570785933.db2.gz AFWKPFHQRDPZOA-LNVKXUELSA-N 0 0 380.582 6.549 50 0 GKAARN Cc1nc2ccc(C(=O)Nc3nc4c(ccc5ccccc45)s3)cc2nc1C ZINC000032740661 570786269 /nfs/dbraw/zinc/78/62/69/570786269.db2.gz BBWDJWZMAIDSGL-UHFFFAOYSA-N 0 0 384.464 5.262 50 0 GKAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nc2ccccc2s1 ZINC000013765293 570786627 /nfs/dbraw/zinc/78/66/27/570786627.db2.gz SHHSUIYRERPQSK-UHFFFAOYSA-N 0 0 386.501 5.956 50 0 GKAARN Cc1ccc2nc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)oc2c1 ZINC000005815163 570786649 /nfs/dbraw/zinc/78/66/49/570786649.db2.gz XODBMVQWRJHCSG-UHFFFAOYSA-N 0 0 376.843 5.638 50 0 GKAARN COc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101032288 570786860 /nfs/dbraw/zinc/78/68/60/570786860.db2.gz HYLIEPAYTAEYAH-QHCPKHFHSA-N 0 0 383.451 5.110 50 0 GKAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c(Cl)c1 ZINC000013770614 570787991 /nfs/dbraw/zinc/78/79/91/570787991.db2.gz SWVLUBLAJIUGEU-PZJWPPBQSA-N 0 0 396.277 5.631 50 0 GKAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCCC2)cc1 ZINC000013771032 570788013 /nfs/dbraw/zinc/78/80/13/570788013.db2.gz FNAWBHGPNKFNNQ-UHFFFAOYSA-N 0 0 388.511 5.258 50 0 GKAARN CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013770654 570788097 /nfs/dbraw/zinc/78/80/97/570788097.db2.gz UICNKHYZLYXAHL-PXDATVDWSA-N 0 0 398.462 5.220 50 0 GKAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc(Cl)c3)=NN21 ZINC000013778216 570789963 /nfs/dbraw/zinc/78/99/63/570789963.db2.gz QPNNSRKONMREQW-OFNKIYASSA-N 0 0 390.870 5.591 50 0 GKAARN COc1ccc([C@H](C)N(C)C(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 ZINC000032752816 570791871 /nfs/dbraw/zinc/79/18/71/570791871.db2.gz XDKAHWPMYUXSSE-KRWDZBQOSA-N 0 0 379.456 5.009 50 0 GKAARN Cc1nc(-c2ccc(N[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[nH]3)cc2)cs1 ZINC000052712499 570792115 /nfs/dbraw/zinc/79/21/15/570792115.db2.gz LMBSYCDYBIZJKA-NSHDSACASA-N 0 0 396.541 5.206 50 0 GKAARN COc1cccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 ZINC000010971638 570793317 /nfs/dbraw/zinc/79/33/17/570793317.db2.gz GOWJXFXDCTYGBW-UHFFFAOYSA-N 0 0 392.402 5.014 50 0 GKAARN CCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2cccc3c(=O)cc(C)[nH]c23)c1 ZINC000534583402 570793361 /nfs/dbraw/zinc/79/33/61/570793361.db2.gz VMGZZROLSTTWNE-HXUWFJFHSA-N 0 0 386.495 5.074 50 0 GKAARN COc1ccc2c(c1)sc1nc(-c3ccc(O)c(OC)c3)c(NC(C)(C)C)n21 ZINC000065319324 570793316 /nfs/dbraw/zinc/79/33/16/570793316.db2.gz SOXXXTZCRCUIAG-UHFFFAOYSA-N 0 0 397.500 5.149 50 0 GKAARN CC(C)C[C@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)c1cccnc1 ZINC000534589133 570793589 /nfs/dbraw/zinc/79/35/89/570793589.db2.gz RIHYCCNPEDWZQX-QFIPXVFZSA-N 0 0 380.536 5.108 50 0 GKAARN COCC1(N(C)C(=O)c2ccc(-c3cc(C)c4ccc(C)c(C)c4n3)cc2)CC1 ZINC000534633460 570793643 /nfs/dbraw/zinc/79/36/43/570793643.db2.gz JJXOZPVFWBCERY-UHFFFAOYSA-N 0 0 388.511 5.078 50 0 GKAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)c(NCCOC)n21 ZINC000065319374 570793594 /nfs/dbraw/zinc/79/35/94/570793594.db2.gz QCRREFYDNLZUDR-UHFFFAOYSA-N 0 0 395.528 5.290 50 0 GKAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1ccc(F)cc1 ZINC000004463672 570793856 /nfs/dbraw/zinc/79/38/56/570793856.db2.gz RMIKZRQYKHMTLA-UHFFFAOYSA-N 0 0 394.446 5.015 50 0 GKAARN COc1ccc([C@@H]2CCCN2Cc2csc(-c3ccsc3)n2)c(OC)c1 ZINC000032759688 570795109 /nfs/dbraw/zinc/79/51/09/570795109.db2.gz NPDQYQUDFXZRGK-SFHVURJKSA-N 0 0 386.542 5.226 50 0 GKAARN C[C@]12CCC(=O)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C ZINC000005825837 570795229 /nfs/dbraw/zinc/79/52/29/570795229.db2.gz UWBPSDCYSHEQGU-ZPCJAMIHSA-N 0 0 398.631 6.420 50 0 biogenic GKAARN CCCCCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc(C)cc2)n1 ZINC000005826019 570795294 /nfs/dbraw/zinc/79/52/94/570795294.db2.gz UXSYBDITCQCKCV-UHFFFAOYSA-N 0 0 385.511 6.002 50 0 biogenic GKAARN Cc1ccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c2cccnc12 ZINC000032760447 570795609 /nfs/dbraw/zinc/79/56/09/570795609.db2.gz FAYABPDWQSGYOM-UHFFFAOYSA-N 0 0 391.471 5.071 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1cccc(C)n1 ZINC000013858358 570796019 /nfs/dbraw/zinc/79/60/19/570796019.db2.gz YWWWFWKNQUIDIL-UHFFFAOYSA-N 0 0 397.525 5.104 50 0 GKAARN O=C(/C=C\c1cccs1)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000036709574 570797054 /nfs/dbraw/zinc/79/70/54/570797054.db2.gz KBLVZWWKWISFTK-QXMHVHEDSA-N 0 0 382.872 5.306 50 0 GKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2C)no1 ZINC000065320603 570797909 /nfs/dbraw/zinc/79/79/09/570797909.db2.gz JMGWYIIICQCKAB-GOSISDBHSA-N 0 0 396.878 5.376 50 0 GKAARN COc1ccccc1/C=C1/SC(=Nc2ccccc2)N(C2CCCC2)C1=O ZINC000018059595 570797949 /nfs/dbraw/zinc/79/79/49/570797949.db2.gz KIDVENPRLZSWAT-COSNONQRSA-N 0 0 378.497 5.242 50 0 GKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3C)no2)cc1C ZINC000065320592 570798112 /nfs/dbraw/zinc/79/81/12/570798112.db2.gz JFPGAKKZJCJBDO-IBGZPJMESA-N 0 0 376.460 5.031 50 0 GKAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)s1 ZINC000005676227 570799650 /nfs/dbraw/zinc/79/96/50/570799650.db2.gz KMUXSJOFKXCCLI-UHFFFAOYSA-N 0 0 399.722 5.540 50 0 GKAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000005675023 570799652 /nfs/dbraw/zinc/79/96/52/570799652.db2.gz RQUVXLQTJFYFOD-UHFFFAOYSA-N 0 0 395.405 5.184 50 0 GKAARN CN(Cc1ccc(Br)s1)C(=O)c1cccc(Cl)c1Cl ZINC000018107777 570800083 /nfs/dbraw/zinc/80/00/83/570800083.db2.gz PENLSHXLHOKMDF-UHFFFAOYSA-N 0 0 379.106 5.090 50 0 GKAARN Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1 ZINC000068247444 570800435 /nfs/dbraw/zinc/80/04/35/570800435.db2.gz KHZOJCQBHJUJFY-UHFFFAOYSA-N 0 0 379.463 5.300 50 0 in-vitro GKAARN Cc1ccc(F)c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 ZINC000036718425 570801132 /nfs/dbraw/zinc/80/11/32/570801132.db2.gz UKJDEVJGBNBQSY-UHFFFAOYSA-N 0 0 392.455 5.820 50 0 GKAARN CCCNC(=O)Nc1cccc(-c2noc(/C=C/c3ccccc3Cl)n2)c1 ZINC000065330125 570801311 /nfs/dbraw/zinc/80/13/11/570801311.db2.gz GYKHLLIPJKJFLF-ZHACJKMWSA-N 0 0 382.851 5.092 50 0 GKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000065331187 570801703 /nfs/dbraw/zinc/80/17/03/570801703.db2.gz RACRJJBITNJGMM-LJQANCHMSA-N 0 0 395.890 5.179 50 0 GKAARN Cc1c(Cl)cccc1-n1ncc2c1NC(=O)C[C@H]2c1ccc(OC(C)C)cc1 ZINC000065331374 570801820 /nfs/dbraw/zinc/80/18/20/570801820.db2.gz LGTOGAZFIAFFPQ-KRWDZBQOSA-N 0 0 395.890 5.095 50 0 GKAARN CCCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000065331285 570801847 /nfs/dbraw/zinc/80/18/47/570801847.db2.gz YDMLZNQSBYIAPV-LJQANCHMSA-N 0 0 395.890 5.179 50 0 GKAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Oc3ccc(C)c(C)c3)cc12 ZINC000033069253 570801894 /nfs/dbraw/zinc/80/18/94/570801894.db2.gz BGXZGJACESBFMZ-UHFFFAOYSA-N 0 0 380.444 5.371 50 0 GKAARN Clc1ccc(-n2ccnc2Sc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000005903527 570802662 /nfs/dbraw/zinc/80/26/62/570802662.db2.gz MQYWIXQWYKRAAZ-UHFFFAOYSA-N 0 0 398.944 5.560 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2cccc(C)c2)o1 ZINC000005902920 570802708 /nfs/dbraw/zinc/80/27/08/570802708.db2.gz IGCCGBVJKDUGQX-CQSZACIVSA-N 0 0 377.469 5.198 50 0 GKAARN O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)c1ccc(Cl)cc1 ZINC000005903082 570802728 /nfs/dbraw/zinc/80/27/28/570802728.db2.gz MKRUQPQAIZGIJD-UHFFFAOYSA-N 0 0 394.927 5.651 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000032768261 570802874 /nfs/dbraw/zinc/80/28/74/570802874.db2.gz VRIKWGXWAHZQCY-UHFFFAOYSA-N 0 0 375.944 5.115 50 0 GKAARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)C2CCCCC2)n1 ZINC000005919696 570803468 /nfs/dbraw/zinc/80/34/68/570803468.db2.gz QGLHSTCGOUODJV-KRWDZBQOSA-N 0 0 392.474 6.050 50 0 GKAARN CC(C)CCn1c(CCCC(=O)Nc2cccc(Cl)c2)nc2cccnc21 ZINC000033072379 570803592 /nfs/dbraw/zinc/80/35/92/570803592.db2.gz OCDSGQGAJCVWJF-UHFFFAOYSA-N 0 0 384.911 5.092 50 0 GKAARN CCc1ccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)cc1 ZINC000033072393 570803714 /nfs/dbraw/zinc/80/37/14/570803714.db2.gz QQVWSYRGQNQQQP-UHFFFAOYSA-N 0 0 378.520 5.001 50 0 GKAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(OC2CCCC2)c1 ZINC000032769557 570803835 /nfs/dbraw/zinc/80/38/35/570803835.db2.gz VVFCKXCCHVTJRY-UHFFFAOYSA-N 0 0 384.526 5.374 50 0 GKAARN Cc1ccc(C)c(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000033072541 570804096 /nfs/dbraw/zinc/80/40/96/570804096.db2.gz VGBCAYUACXLSFE-UHFFFAOYSA-N 0 0 398.510 5.058 50 0 GKAARN Cc1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)c(Cl)c1 ZINC000033073203 570804557 /nfs/dbraw/zinc/80/45/57/570804557.db2.gz OKMWFRBKMHLTKD-UHFFFAOYSA-N 0 0 379.891 5.439 50 0 GKAARN Cc1ccc(-c2nc(CSC(c3ccccc3)c3ccccc3)cs2)cc1 ZINC000005936647 570805296 /nfs/dbraw/zinc/80/52/96/570805296.db2.gz XSYCNHURZKOAQH-UHFFFAOYSA-N 0 0 387.573 7.141 50 0 GKAARN Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(C)c2)c1 ZINC000033084482 570805728 /nfs/dbraw/zinc/80/57/28/570805728.db2.gz POEWOBKNPZCWSX-UHFFFAOYSA-N 0 0 388.492 5.598 50 0 GKAARN O=C(NCCc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000005938450 570805863 /nfs/dbraw/zinc/80/58/63/570805863.db2.gz NPTXYNDDJKMYBQ-UHFFFAOYSA-N 0 0 384.306 5.484 50 0 GKAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccccc1-c1ccccc1 ZINC000004484910 570805928 /nfs/dbraw/zinc/80/59/28/570805928.db2.gz JMUYUFAUBQTUIQ-UHFFFAOYSA-N 0 0 393.899 5.614 50 0 GKAARN C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C12CC3CC(CC(C3)C1)C2 ZINC000005937403 570806103 /nfs/dbraw/zinc/80/61/03/570806103.db2.gz WZRLVPVQQMVUBK-SBNSQYLKSA-N 0 0 377.528 5.185 50 0 GKAARN Cc1cc(C)cc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)c1 ZINC000007159702 570806391 /nfs/dbraw/zinc/80/63/91/570806391.db2.gz NIWJUFMZERRJDO-UHFFFAOYSA-N 0 0 379.510 5.769 50 0 GKAARN Cc1cc2occ(CC(=O)Nc3cc(Cl)cc(Cl)c3)c2cc1C(C)C ZINC000005938162 570806486 /nfs/dbraw/zinc/80/64/86/570806486.db2.gz DNSZRRVQAGOJFG-UHFFFAOYSA-N 0 0 376.283 6.353 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)OCc1cccc2ccccc21 ZINC000005938012 570806636 /nfs/dbraw/zinc/80/66/36/570806636.db2.gz KKZYPBLNOPHMLB-UHFFFAOYSA-N 0 0 384.479 5.318 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1Cl)c1ccccc1F ZINC000033084428 570807127 /nfs/dbraw/zinc/80/71/27/570807127.db2.gz XCZVXCPENCCRRE-UHFFFAOYSA-N 0 0 382.847 6.008 50 0 GKAARN FC(F)(F)c1nn(-c2ccccc2)c(-c2ccccc2)c1OCc1ccccc1 ZINC000005683258 570808123 /nfs/dbraw/zinc/80/81/23/570808123.db2.gz XCVSSXFAIYQSIQ-UHFFFAOYSA-N 0 0 394.396 6.137 50 0 GKAARN CCOC(=O)[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1ccccc1 ZINC000007160875 570808304 /nfs/dbraw/zinc/80/83/04/570808304.db2.gz DCWGLXZDZJSYQS-HNNXBMFYSA-N 0 0 392.402 5.045 50 0 GKAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccc(F)cc2)nn1 ZINC000033086755 570808580 /nfs/dbraw/zinc/80/85/80/570808580.db2.gz SNBLMALIBYZBOO-UHFFFAOYSA-N 0 0 399.541 6.068 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccc(C)cc3)n2)cc1 ZINC000013960467 570808732 /nfs/dbraw/zinc/80/87/32/570808732.db2.gz WTQSHFOEFKMECT-UHFFFAOYSA-N 0 0 384.479 5.591 50 0 GKAARN c1nn(-c2ccccc2)c2ncnc(Nc3ccc(OCc4ccccc4)cc3)c12 ZINC000004658105 570809115 /nfs/dbraw/zinc/80/91/15/570809115.db2.gz RKWYKCWRIWGDJI-UHFFFAOYSA-N 0 0 393.450 5.138 50 0 GKAARN C[C@H]1CCc2sc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)cc2C1 ZINC000036759459 570809169 /nfs/dbraw/zinc/80/91/69/570809169.db2.gz ORZWIMDFOCAEPA-NSHDSACASA-N 0 0 382.451 5.210 50 0 GKAARN CC[C@@H](C)c1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000005965753 570809571 /nfs/dbraw/zinc/80/95/71/570809571.db2.gz SKAHEXIFLQIMID-QGZVFWFLSA-N 0 0 379.504 5.083 50 0 GKAARN OCCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1ccc(F)cc1 ZINC000004491884 570809592 /nfs/dbraw/zinc/80/95/92/570809592.db2.gz FGVWAUPRXHMTLI-GYHWCHFESA-N 0 0 378.472 5.124 50 0 GKAARN CCOC(=O)c1cc(-c2ccccc2)nc2nc(Nc3ccccc3)sc21 ZINC000005688330 570809896 /nfs/dbraw/zinc/80/98/96/570809896.db2.gz XTSUCCDKGZUYCD-UHFFFAOYSA-N 0 0 375.453 5.279 50 0 GKAARN Cc1nc(SCC(=O)Nc2c(C)cccc2C(C)C)[nH]c1Cc1ccccc1 ZINC000004492626 570810019 /nfs/dbraw/zinc/81/00/19/570810019.db2.gz DLLQZDRUISUWHE-UHFFFAOYSA-N 0 0 393.556 5.472 50 0 GKAARN Cc1ccc(-n2c(/C=C/c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 ZINC000004659497 570810114 /nfs/dbraw/zinc/81/01/14/570810114.db2.gz YRZJTSUQRIPHEC-QGOAFFKASA-N 0 0 394.518 6.162 50 0 GKAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000004659684 570810159 /nfs/dbraw/zinc/81/01/59/570810159.db2.gz TXBFXTPIMRXGHJ-UHFFFAOYSA-N 0 0 390.845 5.624 50 0 GKAARN Cc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCOCC2)cc1 ZINC000005968775 570810209 /nfs/dbraw/zinc/81/02/09/570810209.db2.gz VXQJKUKFFIBNMK-VWLOTQADSA-N 0 0 398.506 5.276 50 0 GKAARN O=C(CN1CCCc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000005689038 570810300 /nfs/dbraw/zinc/81/03/00/570810300.db2.gz RERYFJRTOPQUHI-UHFFFAOYSA-N 0 0 392.886 5.524 50 0 GKAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000033106125 570810685 /nfs/dbraw/zinc/81/06/85/570810685.db2.gz RGRSFGBIICERQS-UHFFFAOYSA-N 0 0 380.444 5.083 50 0 GKAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)c1ccc(Br)o1 ZINC000033106059 570810689 /nfs/dbraw/zinc/81/06/89/570810689.db2.gz LOBJWKJXRVJRAO-UHFFFAOYSA-N 0 0 381.229 5.443 50 0 GKAARN CC(CNC(=O)c1ccccc1OC(F)F)(c1ccccc1)c1ccccc1 ZINC000032788996 570810779 /nfs/dbraw/zinc/81/07/79/570810779.db2.gz UESXEPSXUDHEKW-UHFFFAOYSA-N 0 0 381.422 5.024 50 0 GKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(C)cc1Cl ZINC000101095183 570811851 /nfs/dbraw/zinc/81/18/51/570811851.db2.gz VMOZGGTXXTXDKJ-UHFFFAOYSA-N 0 0 385.851 5.221 50 0 GKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)SCc1csc(-c2ccccc2)n1 ZINC000032778847 570812032 /nfs/dbraw/zinc/81/20/32/570812032.db2.gz PVUFUDOYMFVSST-MRXNPFEDSA-N 0 0 382.554 5.687 50 0 GKAARN O=C(CSCc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1Cl ZINC000032778836 570812038 /nfs/dbraw/zinc/81/20/38/570812038.db2.gz XAEYCDBRZDFXFV-UHFFFAOYSA-N 0 0 392.908 5.475 50 0 GKAARN O=C(CSCc1csc(-c2ccccc2)n1)Nc1ccc(F)c(F)c1F ZINC000032778839 570812143 /nfs/dbraw/zinc/81/21/43/570812143.db2.gz ZKVUFTNOZICWRQ-UHFFFAOYSA-N 0 0 394.443 5.099 50 0 GKAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cccc(Cl)c1C ZINC000101095474 570812194 /nfs/dbraw/zinc/81/21/94/570812194.db2.gz OVJZIIFOCPEDFR-UHFFFAOYSA-N 0 0 385.851 5.221 50 0 GKAARN c1c(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)nc2ccccn12 ZINC000005990046 570812249 /nfs/dbraw/zinc/81/22/49/570812249.db2.gz JFWASNIIDVNSAK-UHFFFAOYSA-N 0 0 395.491 5.146 50 0 GKAARN COc1ccc2c(Cl)c(C(=O)N[C@H](C)c3ccncc3)sc2c1Cl ZINC000007184330 570812268 /nfs/dbraw/zinc/81/22/68/570812268.db2.gz RMBINTSTPDEXKM-SECBINFHSA-N 0 0 381.284 5.103 50 0 GKAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc3ccccc3n2)c1 ZINC000033113828 570812354 /nfs/dbraw/zinc/81/23/54/570812354.db2.gz IKVVNSQOBUXJCQ-UHFFFAOYSA-N 0 0 392.455 5.150 50 0 GKAARN O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000004496751 570812449 /nfs/dbraw/zinc/81/24/49/570812449.db2.gz PQTJRCDZEOJYGN-UHFFFAOYSA-N 0 0 378.428 5.365 50 0 GKAARN CCOC(=O)c1ccc2c(c1)nc(/C=C/c1ccc(Cl)c(Cl)c1)n2CC ZINC000005693271 570812727 /nfs/dbraw/zinc/81/27/27/570812727.db2.gz GIFPPLHNNFEWRT-UXBLZVDNSA-N 0 0 389.282 5.710 50 0 GKAARN Cc1cccc(N=C2NN=C(c3ccc(NC(=O)CC(C)C)cc3)CS2)c1C ZINC000005692852 570812749 /nfs/dbraw/zinc/81/27/49/570812749.db2.gz PKWBKQIUKSOLNQ-UHFFFAOYSA-N 0 0 394.544 5.207 50 0 GKAARN Cn1cc(-c2ccccc2)c2nc(SCc3ccccc3)n(C3CC3)c(=O)c21 ZINC000033114583 570812785 /nfs/dbraw/zinc/81/27/85/570812785.db2.gz BBHTUPAKDBPKDC-UHFFFAOYSA-N 0 0 387.508 5.029 50 0 GKAARN CCCn1c(=O)c2c(nc1SCc1ccccc1)c(-c1ccccc1)cn2C ZINC000033114540 570812842 /nfs/dbraw/zinc/81/28/42/570812842.db2.gz IHWBWJOAICPYNN-UHFFFAOYSA-N 0 0 389.524 5.104 50 0 GKAARN Cc1noc(C)c1NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000063447358 570812941 /nfs/dbraw/zinc/81/29/41/570812941.db2.gz IXWXHFBUYALUHO-UHFFFAOYSA-N 0 0 377.419 5.150 50 0 GKAARN COc1cccc(-c2nc(CSc3nnc(-c4ccccc4F)o3)cs2)c1 ZINC000007193102 570813009 /nfs/dbraw/zinc/81/30/09/570813009.db2.gz UTLIJACNRCETDH-UHFFFAOYSA-N 0 0 399.472 5.300 50 0 GKAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101106391 570813330 /nfs/dbraw/zinc/81/33/30/570813330.db2.gz DTGFCBAVGQFZMV-XMMPIXPASA-N 0 0 394.478 5.222 50 0 GKAARN COc1ccccc1N1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000006007468 570813559 /nfs/dbraw/zinc/81/35/59/570813559.db2.gz ANQJAAOKKRGWMK-OVCLIPMQSA-N 0 0 380.252 5.243 50 0 GKAARN C[C@@H]1CC(=Cc2cccc(F)c2)C2=NC(=S)N[C@H](c3cccc(F)c3)C2C1 ZINC000004497952 570813713 /nfs/dbraw/zinc/81/37/13/570813713.db2.gz PYYRKZQWKUWYCM-FWZHABSESA-N 0 0 382.479 5.251 50 0 GKAARN C[C@@H](NC(=O)CCCSc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000005696053 570813761 /nfs/dbraw/zinc/81/37/61/570813761.db2.gz HOAJXHNSXIHZLW-LRYXAPPNSA-N 0 0 397.588 5.156 50 0 GKAARN CCCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000001781738 570813796 /nfs/dbraw/zinc/81/37/96/570813796.db2.gz XXBUNUOZSIJFBZ-AWNIVKPZSA-N 0 0 396.487 5.780 50 0 GKAARN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1cccc(Cl)c1 ZINC000001782063 570813821 /nfs/dbraw/zinc/81/38/21/570813821.db2.gz LYNKXMICPDXFOZ-UHFFFAOYSA-N 0 0 376.795 5.333 50 0 biogenic GKAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000004667946 570814319 /nfs/dbraw/zinc/81/43/19/570814319.db2.gz SRYYXHZMXOJEHA-OKXDZZTOSA-N 0 0 392.524 5.080 50 0 GKAARN Cc1cccc(NC(=S)N(Cc2cn(C)c3ccccc23)Cc2ccccc2)c1 ZINC000004668045 570814530 /nfs/dbraw/zinc/81/45/30/570814530.db2.gz YBCDLVITJRVOHN-UHFFFAOYSA-N 0 0 399.563 5.886 50 0 GKAARN O=C(Nc1ccccc1C(F)(F)F)N1CCS[C@H](c2cccs2)CC1 ZINC000219534673 570814498 /nfs/dbraw/zinc/81/44/98/570814498.db2.gz FHMWHEAYRYAANC-HNNXBMFYSA-N 0 0 386.464 5.479 50 0 GKAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101115109 570814566 /nfs/dbraw/zinc/81/45/66/570814566.db2.gz SQQVUPWFLQNMHA-NVPYSNMXSA-N 0 0 397.449 5.069 50 0 GKAARN CCOc1c2cc(NC(=O)[C@H](CC)c3ccccc3)ccc2sc1C(=O)OC ZINC000033123398 570815146 /nfs/dbraw/zinc/81/51/46/570815146.db2.gz JBGQDXPLLZDBDX-MRXNPFEDSA-N 0 0 397.496 5.219 50 0 GKAARN CCOc1ccccc1NC(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033123942 570815483 /nfs/dbraw/zinc/81/54/83/570815483.db2.gz GKXHDIHLXZFQPE-UHFFFAOYSA-N 0 0 389.430 6.017 50 0 GKAARN Cc1cccc(NC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000033123853 570815539 /nfs/dbraw/zinc/81/55/39/570815539.db2.gz YIRJPCSNZLEMGK-UHFFFAOYSA-N 0 0 375.859 6.441 50 0 GKAARN CCC[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000032795302 570815546 /nfs/dbraw/zinc/81/55/46/570815546.db2.gz BSPJVTAJTUCINR-GDBMZVCRSA-N 0 0 386.446 5.333 50 0 GKAARN COc1cccc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1 ZINC000033123908 570815709 /nfs/dbraw/zinc/81/57/09/570815709.db2.gz PEKKCKQDTFZGMJ-UHFFFAOYSA-N 0 0 375.403 5.627 50 0 GKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033123916 570815725 /nfs/dbraw/zinc/81/57/25/570815725.db2.gz TUAFPXYTGFLUGU-UHFFFAOYSA-N 0 0 379.822 6.271 50 0 GKAARN O=C(NCc1ccccc1)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000033123859 570815749 /nfs/dbraw/zinc/81/57/49/570815749.db2.gz IBRVDRIBBZPAJO-UHFFFAOYSA-N 0 0 375.859 5.810 50 0 GKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000033124091 570815886 /nfs/dbraw/zinc/81/58/86/570815886.db2.gz WMXVJSDUKKETEX-UHFFFAOYSA-N 0 0 397.862 6.400 50 0 GKAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1C ZINC000033124010 570815901 /nfs/dbraw/zinc/81/59/01/570815901.db2.gz QMVVAELYVYYPBU-UHFFFAOYSA-N 0 0 394.521 5.381 50 0 GKAARN COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033124093 570815965 /nfs/dbraw/zinc/81/59/65/570815965.db2.gz RTYDQPBNOVSYMZ-UHFFFAOYSA-N 0 0 375.453 5.616 50 0 GKAARN Cc1ccc(CNC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033124197 570815973 /nfs/dbraw/zinc/81/59/73/570815973.db2.gz FSOFFMGACIIBFD-UHFFFAOYSA-N 0 0 387.508 5.902 50 0 GKAARN Cc1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1C ZINC000033124177 570816004 /nfs/dbraw/zinc/81/60/04/570816004.db2.gz JFCRLCXQGHUYTR-UHFFFAOYSA-N 0 0 387.508 6.533 50 0 GKAARN Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124003 570816065 /nfs/dbraw/zinc/81/60/65/570816065.db2.gz VODQCGSEMFPNBC-UHFFFAOYSA-N 0 0 380.494 5.073 50 0 GKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000033123948 570816109 /nfs/dbraw/zinc/81/61/09/570816109.db2.gz WIQOAKLBBRYAKT-UHFFFAOYSA-N 0 0 393.849 6.580 50 0 GKAARN CCc1ccc(-c2nc(S[C@H](C)c3nc4ccccc4n3C(F)F)n[nH]2)cc1 ZINC000036811473 570816467 /nfs/dbraw/zinc/81/64/67/570816467.db2.gz PUNVCUTUKZCWAV-GFCCVEGCSA-N 0 0 399.470 5.632 50 0 GKAARN Cc1ccc(SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000004496463 570816843 /nfs/dbraw/zinc/81/68/43/570816843.db2.gz ZFOOMMAPWPUJLV-UHFFFAOYSA-N 0 0 390.533 6.003 50 0 GKAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004505961 570816854 /nfs/dbraw/zinc/81/68/54/570816854.db2.gz BNTUPNKSRJKJCV-UHFFFAOYSA-N 0 0 392.669 6.691 50 0 GKAARN CCc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc12 ZINC000001806212 570817006 /nfs/dbraw/zinc/81/70/06/570817006.db2.gz VOVUSPOMJDNSTP-UHFFFAOYSA-N 0 0 397.641 5.535 50 0 GKAARN Clc1cccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=Nc3ncnn32)c1 ZINC000101238483 570817049 /nfs/dbraw/zinc/81/70/49/570817049.db2.gz HDGDRKMDOVZGAI-QFIPXVFZSA-N 0 0 384.870 5.655 50 0 GKAARN O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)c1ccco1 ZINC000004503446 570817175 /nfs/dbraw/zinc/81/71/75/570817175.db2.gz DJBAXJMJJZSJEO-UHFFFAOYSA-N 0 0 383.473 5.010 50 0 GKAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2c3ccccc3CC[C@H]2C)o1 ZINC000007217394 570817368 /nfs/dbraw/zinc/81/73/68/570817368.db2.gz PGSJGFUJKNHLOS-OAHLLOKOSA-N 0 0 386.455 5.041 50 0 GKAARN Cc1ccc(CSc2nc3c(sc4nc(C)cc(C)c43)c(Cl)n2)cc1 ZINC000005698739 570817559 /nfs/dbraw/zinc/81/75/59/570817559.db2.gz PXIFYYWFSAKYCC-UHFFFAOYSA-N 0 0 385.945 6.110 50 0 GKAARN O=c1cc(C(F)(F)F)c2ccc(OCc3cc(F)cc4cccnc43)cc2o1 ZINC000031607754 570817500 /nfs/dbraw/zinc/81/75/00/570817500.db2.gz RONCWAJRUIGXEF-UHFFFAOYSA-N 0 0 389.304 5.078 50 0 GKAARN COc1ccccc1[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=Nc2ncnn21 ZINC000101217949 570817898 /nfs/dbraw/zinc/81/78/98/570817898.db2.gz WYJITZCEVFDNJJ-QFIPXVFZSA-N 0 0 380.451 5.010 50 0 GKAARN CCc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000033128710 570817926 /nfs/dbraw/zinc/81/79/26/570817926.db2.gz UXEVPBSMPBQZEF-UHFFFAOYSA-N 0 0 385.467 5.096 50 0 GKAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccc(Cl)c4)o3)o2)cc1 ZINC000007220993 570817965 /nfs/dbraw/zinc/81/79/65/570817965.db2.gz QOEYYYAUIBIYFM-GFCCVEGCSA-N 0 0 398.875 5.602 50 0 GKAARN Cc1cccc(CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 ZINC000033129051 570818119 /nfs/dbraw/zinc/81/81/19/570818119.db2.gz ZWTYODNPQAYBRF-UHFFFAOYSA-N 0 0 378.522 5.263 50 0 GKAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000032796617 570818614 /nfs/dbraw/zinc/81/86/14/570818614.db2.gz 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ZINC000101352714 570819778 /nfs/dbraw/zinc/81/97/78/570819778.db2.gz WABINAJUPIQEKI-QFIPXVFZSA-N 0 0 397.478 5.418 50 0 GKAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1 ZINC000004673109 570819861 /nfs/dbraw/zinc/81/98/61/570819861.db2.gz YFKWBUPZOWWOQQ-SFHVURJKSA-N 0 0 384.479 5.711 50 0 GKAARN Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)ccc1Cl ZINC000004674117 570819912 /nfs/dbraw/zinc/81/99/12/570819912.db2.gz IXRZMJBXKJWFDG-UHFFFAOYSA-N 0 0 393.314 5.310 50 0 GKAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)c1ccc2c(c1)CCC2 ZINC000031685275 570820113 /nfs/dbraw/zinc/82/01/13/570820113.db2.gz NXHDKYKSISXXNV-ZDUSSCGKSA-N 0 0 389.480 5.070 50 0 GKAARN CCCCCCNC(=O)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130409 570820786 /nfs/dbraw/zinc/82/07/86/570820786.db2.gz FUYVRHNYKJJLPN-UHFFFAOYSA-N 0 0 375.472 5.246 50 0 GKAARN Cc1ccc(-c2nc(NC(=O)c3ccccc3C)sc2-c2ccccc2)cc1C ZINC000004674896 570820826 /nfs/dbraw/zinc/82/08/26/570820826.db2.gz YWNVXTDJEDCCRX-UHFFFAOYSA-N 0 0 398.531 6.655 50 0 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570822182 /nfs/dbraw/zinc/82/21/82/570822182.db2.gz DGSNUTDKBVUGCI-UHFFFAOYSA-N 0 0 393.556 5.469 50 0 GKAARN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1C ZINC000004675854 570822536 /nfs/dbraw/zinc/82/25/36/570822536.db2.gz ZAQSDLCLJGEIDN-WCAVRKLYSA-N 0 0 386.539 6.073 50 0 GKAARN Cn1ccnc1Sc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000012506899 570822630 /nfs/dbraw/zinc/82/26/30/570822630.db2.gz PDMCZXYGZXAFML-UHFFFAOYSA-N 0 0 392.311 5.059 50 0 GKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCCC(C)C)c3)n2)cc1 ZINC000033139155 570823269 /nfs/dbraw/zinc/82/32/69/570823269.db2.gz YPSKLXVIJHIYBY-UHFFFAOYSA-N 0 0 375.472 5.020 50 0 GKAARN Cc1ccc(NC(=O)c2cccc(Oc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033139122 570823319 /nfs/dbraw/zinc/82/33/19/570823319.db2.gz BIQNVWMPASQNRD-UHFFFAOYSA-N 0 0 399.425 5.636 50 0 GKAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NC4CCCCC4)c3)n2)cc1 ZINC000033139156 570823354 /nfs/dbraw/zinc/82/33/54/570823354.db2.gz VWBUZYXBBIBRPM-UHFFFAOYSA-N 0 0 387.483 5.307 50 0 GKAARN COc1ccc(NC2=NC(=O)SC2=Cc2ccc(-c3ccccc3)o2)cc1 ZINC000007275700 570823901 /nfs/dbraw/zinc/82/39/01/570823901.db2.gz OHVJRFZNQGQDRF-UYRXBGFRSA-N 0 0 376.437 5.674 50 0 GKAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000065481806 570824313 /nfs/dbraw/zinc/82/43/13/570824313.db2.gz XUOAWOQPKJDJCL-HXUWFJFHSA-N 0 0 380.492 5.154 50 0 GKAARN COc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000101513114 570824423 /nfs/dbraw/zinc/82/44/23/570824423.db2.gz KWFXGKPCSPWGSP-QHCPKHFHSA-N 0 0 396.450 5.135 50 0 GKAARN CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(OC(C)C)cc1 ZINC000001911113 570824663 /nfs/dbraw/zinc/82/46/63/570824663.db2.gz JVAFDONTKNQMOY-UHFFFAOYSA-N 0 0 378.472 5.505 50 0 GKAARN COc1ccc(-c2cn3cc(-c4ccc(-c5ccccc5)cc4)nc3n2C)cc1 ZINC000004678665 570824709 /nfs/dbraw/zinc/82/47/09/570824709.db2.gz MKBWHLSBJRWECF-UHFFFAOYSA-N 0 0 379.463 5.682 50 0 GKAARN O=C(Nc1ccc(-c2ccccc2)cc1)C1c2nc3ccccc3n2CCC1=O ZINC000101513301 570824926 /nfs/dbraw/zinc/82/49/26/570824926.db2.gz FCEWBKOCGGXOCG-UHFFFAOYSA-N 0 0 381.435 5.015 50 0 aggregator GKAARN Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc(Cl)c3)nc21 ZINC000004678687 570824978 /nfs/dbraw/zinc/82/49/78/570824978.db2.gz DVMGZIAIFNJQQB-UHFFFAOYSA-N 0 0 383.882 6.327 50 0 GKAARN COc1ccccc1NC(=O)c1ccc(Nc2nc3ccc(Cl)cc3o2)cc1 ZINC000032801401 570825250 /nfs/dbraw/zinc/82/52/50/570825250.db2.gz XJRXGRKGPRSQIF-UHFFFAOYSA-N 0 0 393.830 5.486 50 0 GKAARN COc1ccccc1-n1c(-c2ccccc2)cnc1SCc1cc(C)on1 ZINC000007286953 570825303 /nfs/dbraw/zinc/82/53/03/570825303.db2.gz KXQIRIFHZMYMAB-UHFFFAOYSA-N 0 0 377.469 5.137 50 0 GKAARN CC(=O)Nc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000101500924 570825471 /nfs/dbraw/zinc/82/54/71/570825471.db2.gz ODJLGXFLAZDPSP-XMMPIXPASA-N 0 0 398.487 5.896 50 0 GKAARN Cc1ccc(C(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000001915578 570825672 /nfs/dbraw/zinc/82/56/72/570825672.db2.gz SHWVJYSJTPQFRQ-UHFFFAOYSA-N 0 0 394.496 5.781 50 0 GKAARN COc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000007279243 570825820 /nfs/dbraw/zinc/82/58/20/570825820.db2.gz RQBOSESZFNYSMO-QHCPKHFHSA-N 0 0 386.451 5.221 50 0 GKAARN CCCCCNC(=O)c1ccc(Oc2ncc(-c3ccccc3C)cn2)cc1 ZINC000033139251 570826009 /nfs/dbraw/zinc/82/60/09/570826009.db2.gz QTUZEIYZSZRYRH-UHFFFAOYSA-N 0 0 375.472 5.164 50 0 GKAARN C[C@]12CC[C@@H]3c4ccc(OCc5ccc(Cl)cc5)cc4CC[C@H]3[C@H]1CCC2=O ZINC000101510404 570826094 /nfs/dbraw/zinc/82/60/94/570826094.db2.gz MMHZJKVORHWTBL-WBJOIXBTSA-N 0 0 394.942 6.344 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000014169487 570826212 /nfs/dbraw/zinc/82/62/12/570826212.db2.gz XLLDEZCAHBHYIE-VWLOTQADSA-N 0 0 396.490 5.407 50 0 GKAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1F ZINC000033140103 570826915 /nfs/dbraw/zinc/82/69/15/570826915.db2.gz YGPIDKAMXXAIDI-UHFFFAOYSA-N 0 0 375.447 5.294 50 0 GKAARN O=C(Cc1csc(Cc2ccccc2)n1)Nc1cc(Cl)ccc1Cl ZINC000033145506 570827817 /nfs/dbraw/zinc/82/78/17/570827817.db2.gz SMSUBJKGVNDILQ-UHFFFAOYSA-N 0 0 377.296 5.222 50 0 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ZINC000003658713 570881688 /nfs/dbraw/zinc/88/16/88/570881688.db2.gz SWGYXLQCWYMYBN-UHFFFAOYSA-N 0 0 389.524 5.844 50 0 GKAARN CCc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000003655598 570881846 /nfs/dbraw/zinc/88/18/46/570881846.db2.gz JYCMKFJLAVRCOR-UHFFFAOYSA-N 0 0 399.446 5.244 50 0 GKAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3SCC(C)C)cc1 ZINC000003658739 570881850 /nfs/dbraw/zinc/88/18/50/570881850.db2.gz GMMBUEOKDKPWDP-UHFFFAOYSA-N 0 0 389.524 5.844 50 0 GKAARN CC(C)(C)c1ccc(CS(=O)(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000036396440 570881909 /nfs/dbraw/zinc/88/19/09/570881909.db2.gz AUTOCHAQWVSEEG-UHFFFAOYSA-N 0 0 391.583 5.284 50 0 GKAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1ccccc1F ZINC000003655568 570881900 /nfs/dbraw/zinc/88/19/00/570881900.db2.gz TZCKANKCKSWQEK-UHFFFAOYSA-N 0 0 393.801 5.709 50 0 GKAARN C/C(=C\c1ccccc1)[C@H]1CC(c2c(O)cc(C)oc2=O)=Nc2ccccc2N1 ZINC000170625859 570883002 /nfs/dbraw/zinc/88/30/02/570883002.db2.gz GUDZBJBKUDFSSZ-IZLCOFNUSA-N 0 0 386.451 5.062 50 0 GKAARN COc1cc2c(cc1OC)CN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000001227293 570883268 /nfs/dbraw/zinc/88/32/68/570883268.db2.gz QAPXPEDYZFAZMP-UHFFFAOYSA-N 0 0 375.468 5.054 50 0 biogenic GKAARN CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCc2ccccc21 ZINC000032879872 570883455 /nfs/dbraw/zinc/88/34/55/570883455.db2.gz LRAADGARVOVAGW-HXUWFJFHSA-N 0 0 394.902 5.464 50 0 GKAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1Cc2ccccc2S1 ZINC000032879919 570883486 /nfs/dbraw/zinc/88/34/86/570883486.db2.gz PGQOQTVABCTURJ-XZOQPEGZSA-N 0 0 385.488 5.355 50 0 GKAARN CCn1c(=O)c2c(nc1SCc1ccccc1)-c1ccccc1C[C@]2(C)CC ZINC000003771755 570883713 /nfs/dbraw/zinc/88/37/13/570883713.db2.gz FSZUBNTZVWVWIO-DEOSSOPVSA-N 0 0 390.552 5.446 50 0 GKAARN Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)CCCC4)cc1 ZINC000033265562 570883758 /nfs/dbraw/zinc/88/37/58/570883758.db2.gz LDZNZHBZJKYHOL-MRXNPFEDSA-N 0 0 391.540 5.835 50 0 GKAARN CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccco3)cs2)cc1 ZINC000170629004 570884172 /nfs/dbraw/zinc/88/41/72/570884172.db2.gz LYNLLEZGFQDMQE-SFHVURJKSA-N 0 0 382.485 5.168 50 0 GKAARN COc1ccc([C@H](C)N(C)Cc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000096996616 570885357 /nfs/dbraw/zinc/88/53/57/570885357.db2.gz WNVBTZQVWHRSEQ-SFHVURJKSA-N 0 0 383.495 5.498 50 0 GKAARN Cc1ccc(Sc2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)c(C)c1 ZINC000012598818 570885409 /nfs/dbraw/zinc/88/54/09/570885409.db2.gz OGQVXAODAURKNY-GOSISDBHSA-N 0 0 375.537 6.587 50 0 GKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c32)C1 ZINC000004560747 570886290 /nfs/dbraw/zinc/88/62/90/570886290.db2.gz AZSALKHHCAUJQX-AWEZNQCLSA-N 0 0 383.586 5.717 50 0 GKAARN C/C=C(\C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)CC)C2 ZINC000022332050 570886260 /nfs/dbraw/zinc/88/62/60/570886260.db2.gz TXDBKBYMEDQCQJ-GUNGLEHYSA-N 0 0 377.550 5.371 50 0 GKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c32)C1 ZINC000004560745 570886355 /nfs/dbraw/zinc/88/63/55/570886355.db2.gz AZSALKHHCAUJQX-CQSZACIVSA-N 0 0 383.586 5.717 50 0 GKAARN COc1cccc(NC(=O)N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000022343033 570886800 /nfs/dbraw/zinc/88/68/00/570886800.db2.gz JUYPDGJSYKERPE-UHFFFAOYSA-N 0 0 380.532 5.479 50 0 GKAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000032895166 570887080 /nfs/dbraw/zinc/88/70/80/570887080.db2.gz BPSUBGCGMRTWHT-QFIPXVFZSA-N 0 0 387.479 5.348 50 0 GKAARN CC(C)(C)c1ccc(CC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000022347840 570887111 /nfs/dbraw/zinc/88/71/11/570887111.db2.gz XRUHHSUOWHMFKN-UHFFFAOYSA-N 0 0 386.486 5.749 50 0 GKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccncc2)cs1 ZINC000012601607 570887166 /nfs/dbraw/zinc/88/71/66/570887166.db2.gz QJIKJJWYPUWQQX-UHFFFAOYSA-N 0 0 385.492 5.366 50 0 GKAARN Cc1ccc(CN2CCN(Cc3ccccc3F)[C@H]2c2ccc(F)cc2)cc1 ZINC000103623709 570887131 /nfs/dbraw/zinc/88/71/31/570887131.db2.gz ULHMWKUIBDHYRO-DEOSSOPVSA-N 0 0 378.466 5.290 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc(OCc3ccccn3)c2)S1 ZINC000071284540 570887882 /nfs/dbraw/zinc/88/78/82/570887882.db2.gz OHQFNLVLGLCOLI-IBGZPJMESA-N 0 0 394.500 5.030 50 0 GKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCC2)[C@@H](c2cccc(OC(F)F)c2)S1 ZINC000071284619 570887940 /nfs/dbraw/zinc/88/79/40/570887940.db2.gz KRKYVNVFPPDILU-OAHLLOKOSA-N 0 0 379.432 5.191 50 0 GKAARN Cc1[nH]c2ccccc2c1C(=O)CSCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000043731767 570888236 /nfs/dbraw/zinc/88/82/36/570888236.db2.gz KPWHQFPGCHKKAP-UHFFFAOYSA-N 0 0 395.459 5.090 50 0 GKAARN Cc1nn(C)c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000071286978 570888878 /nfs/dbraw/zinc/88/88/78/570888878.db2.gz OATXUKIRROUBND-GOSISDBHSA-N 0 0 387.553 5.111 50 0 GKAARN Cc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1F ZINC000033267793 570889494 /nfs/dbraw/zinc/88/94/94/570889494.db2.gz PPYMCTXSTQJQMO-FQEVSTJZSA-N 0 0 387.458 5.569 50 0 GKAARN Cc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c(C)c1 ZINC000033267878 570889522 /nfs/dbraw/zinc/88/95/22/570889522.db2.gz VJQXFWAGMGAUMS-OAQYLSRUSA-N 0 0 398.510 5.144 50 0 GKAARN Cc1cccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c1C ZINC000033267836 570889573 /nfs/dbraw/zinc/88/95/73/570889573.db2.gz IMRKHFXXCGGTGK-OAQYLSRUSA-N 0 0 398.510 5.144 50 0 GKAARN CCc1ccccc1NC(=O)NC[C@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267875 570889620 /nfs/dbraw/zinc/88/96/20/570889620.db2.gz RXNNAWXEMUIYNM-NRFANRHFSA-N 0 0 398.510 5.089 50 0 GKAARN Cc1ccc(C)c(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033267842 570889647 /nfs/dbraw/zinc/88/96/47/570889647.db2.gz SPZURNVVKXLIAV-OAQYLSRUSA-N 0 0 398.510 5.144 50 0 GKAARN O=c1cc(CSCc2cccc3ccccc32)nc2sc3c(n21)CCCC3 ZINC000009954776 570889801 /nfs/dbraw/zinc/88/98/01/570889801.db2.gz FJFQMKFBJPWTCB-UHFFFAOYSA-N 0 0 392.549 5.221 50 0 GKAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(CSCc3ccc(Cl)cc3)o2)[C@H]1C ZINC000103887597 570889863 /nfs/dbraw/zinc/88/98/63/570889863.db2.gz FNXZURNWUGBXOR-VCBZYWHSSA-N 0 0 391.964 5.921 50 0 GKAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nc2ccccc2s1 ZINC000012609730 570889961 /nfs/dbraw/zinc/88/99/61/570889961.db2.gz CDHBCQWIZRJRGG-CYBMUJFWSA-N 0 0 378.526 5.608 50 0 GKAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cccc(Cl)c1 ZINC000004562991 570890134 /nfs/dbraw/zinc/89/01/34/570890134.db2.gz MVPAXVGSRNJEPD-UHFFFAOYSA-N 0 0 391.254 5.471 50 0 GKAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(F)cc1F ZINC000004562889 570890204 /nfs/dbraw/zinc/89/02/04/570890204.db2.gz HBJZOZMOPSVVCY-UHFFFAOYSA-N 0 0 396.315 5.452 50 0 GKAARN C[C@H](Sc1nc(C(C)(C)C)n[nH]1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000032893224 570890211 /nfs/dbraw/zinc/89/02/11/570890211.db2.gz MDCAUPUKGYFRMO-VIFPVBQESA-N 0 0 397.426 5.024 50 0 GKAARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)Nc1ccccc1C(F)(F)F ZINC000042381157 570890747 /nfs/dbraw/zinc/89/07/47/570890747.db2.gz PZGAVWYZYQWFBD-UHFFFAOYSA-N 0 0 397.356 6.158 50 0 GKAARN CCCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1ccc(CC)cc1 ZINC000004563515 570890892 /nfs/dbraw/zinc/89/08/92/570890892.db2.gz ZZGYJBKYMODRGT-UHFFFAOYSA-N 0 0 391.492 5.627 50 0 GKAARN CCc1ccc(N(CC)C(=O)c2cc3c(s2)c2ccccc2oc3=O)cc1 ZINC000004563505 570890916 /nfs/dbraw/zinc/89/09/16/570890916.db2.gz GQKJKHIMKKAAPS-UHFFFAOYSA-N 0 0 377.465 5.237 50 0 GKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000004564382 570891260 /nfs/dbraw/zinc/89/12/60/570891260.db2.gz HPJOMZBPCJHUMH-YWZLYKJASA-N 0 0 394.515 5.834 50 0 GKAARN CCCc1nc(Sc2ncnc3scc(-c4ccc(Cl)cc4)c32)n[nH]1 ZINC000022420830 570891417 /nfs/dbraw/zinc/89/14/17/570891417.db2.gz HVWCJCSMYFEKCZ-UHFFFAOYSA-N 0 0 387.921 5.234 50 0 GKAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(F)c1 ZINC000012620026 570891669 /nfs/dbraw/zinc/89/16/69/570891669.db2.gz ZLMYNCNNKXUFDJ-UHFFFAOYSA-N 0 0 379.218 5.359 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000103998155 570892739 /nfs/dbraw/zinc/89/27/39/570892739.db2.gz CVPLOKDRCDBKIJ-JOCHJYFZSA-N 0 0 394.902 6.152 50 0 GKAARN S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000097104942 570894278 /nfs/dbraw/zinc/89/42/78/570894278.db2.gz LEVZAPKYZNSCLK-NRFANRHFSA-N 0 0 391.927 5.888 50 0 GKAARN CCn1c2ccccc2c2cc(N[C@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc21 ZINC000015468983 570894484 /nfs/dbraw/zinc/89/44/84/570894484.db2.gz NAAQLKMBYAWDSR-QGZVFWFLSA-N 0 0 396.494 6.346 50 0 GKAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)c(OC)c1 ZINC000097105914 570894538 /nfs/dbraw/zinc/89/45/38/570894538.db2.gz QADTUPHPZVUJJU-UHFFFAOYSA-N 0 0 375.855 6.239 50 0 GKAARN O=C(Nc1ccc(Br)c(Cl)c1)Nc1ccc(Cl)cc1Cl ZINC000013321284 570894852 /nfs/dbraw/zinc/89/48/52/570894852.db2.gz XYJTVWMHJASCMP-UHFFFAOYSA-N 0 0 394.483 6.053 50 0 GKAARN Cc1noc(C(C)C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900640 570894879 /nfs/dbraw/zinc/89/48/79/570894879.db2.gz GAQSXWZXAYZRQV-UHFFFAOYSA-N 0 0 378.432 5.003 50 0 GKAARN COc1ccc(C2=NN(c3ccc(F)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000005720473 570894913 /nfs/dbraw/zinc/89/49/13/570894913.db2.gz XLCUVGVGHBZHMZ-QFIPXVFZSA-N 0 0 380.850 5.843 50 0 GKAARN Cn1c(Cc2ccc(Cl)cc2)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000013325444 570895436 /nfs/dbraw/zinc/89/54/36/570895436.db2.gz SMGKDUKEDITUSF-UHFFFAOYSA-N 0 0 397.853 5.370 50 0 GKAARN Cn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000013325478 570895458 /nfs/dbraw/zinc/89/54/58/570895458.db2.gz YIVJRRDHKAZVFP-UHFFFAOYSA-N 0 0 399.947 5.749 50 0 GKAARN Cc1c(Cl)cccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000013330880 570895462 /nfs/dbraw/zinc/89/54/62/570895462.db2.gz RVIMPQIQOYRGPA-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)no1 ZINC000023057341 570895464 /nfs/dbraw/zinc/89/54/64/570895464.db2.gz WHKZSVFLRJQIQK-HNNXBMFYSA-N 0 0 395.528 5.285 50 0 GKAARN S=C(Nc1ccn(Cc2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000013330386 570895475 /nfs/dbraw/zinc/89/54/75/570895475.db2.gz NFQZQNBRRINPBT-UHFFFAOYSA-N 0 0 377.300 5.047 50 0 GKAARN Cc1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000013329367 570895495 /nfs/dbraw/zinc/89/54/95/570895495.db2.gz CPQZEJSVJXBKTO-UHFFFAOYSA-N 0 0 391.327 5.356 50 0 GKAARN Cc1scc(-c2nnc(SCc3ccccc3C)n2C)c1-c1ccccc1 ZINC000013325907 570895529 /nfs/dbraw/zinc/89/55/29/570895529.db2.gz IGIXASPKWNXYLE-UHFFFAOYSA-N 0 0 391.565 6.120 50 0 GKAARN C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000013330083 570895541 /nfs/dbraw/zinc/89/55/41/570895541.db2.gz CYONIZXZVFLBQM-MRVPVSSYSA-N 0 0 378.086 6.183 50 0 GKAARN O=C(Nc1ccccc1Cl)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000096315521 570896051 /nfs/dbraw/zinc/89/60/51/570896051.db2.gz BDSYGDKXBSRHMO-UHFFFAOYSA-N 0 0 397.862 5.445 50 0 GKAARN COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000013331392 570896049 /nfs/dbraw/zinc/89/60/49/570896049.db2.gz CWUGIVGPRKQILN-UHFFFAOYSA-N 0 0 398.894 5.163 50 0 GKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000479985578 570896251 /nfs/dbraw/zinc/89/62/51/570896251.db2.gz UVTHQJGMUHEVNY-QFIPXVFZSA-N 0 0 398.466 5.724 50 0 GKAARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1 ZINC000104150238 570896660 /nfs/dbraw/zinc/89/66/60/570896660.db2.gz RSAIJUQHHLPKPG-CJAUYULYSA-N 0 0 398.462 5.850 50 0 GKAARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000004535733 570896816 /nfs/dbraw/zinc/89/68/16/570896816.db2.gz HVYWMOMLDIMFJA-HFRBDLMJSA-N 0 0 386.664 7.389 50 0 GKAARN Clc1ccc2nc(CNc3ncnc4scc(-c5ccccc5)c43)cn2c1 ZINC000032902544 570898317 /nfs/dbraw/zinc/89/83/17/570898317.db2.gz LIPWULQLYVUXNI-UHFFFAOYSA-N 0 0 391.887 5.272 50 0 GKAARN CCc1ccc(Cl)c(CC)c1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000015607586 570898805 /nfs/dbraw/zinc/89/88/05/570898805.db2.gz WQZKLZVXASMSIT-NRFANRHFSA-N 0 0 396.918 5.368 50 0 GKAARN Nc1nc(Nc2ccccc2)sc1C(=O)Nc1cccc(Cl)c1Cl ZINC000013573692 570898830 /nfs/dbraw/zinc/89/88/30/570898830.db2.gz CXCLKXLPBACTSI-UHFFFAOYSA-N 0 0 379.272 5.028 50 0 GKAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000004571685 570899147 /nfs/dbraw/zinc/89/91/47/570899147.db2.gz YURUBKBDMSQPQG-WLRWDXFRSA-N 0 0 382.460 5.701 50 0 GKAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 ZINC000004571698 570899195 /nfs/dbraw/zinc/89/91/95/570899195.db2.gz UXFNSZYSKYIONB-WYRIXSBYSA-N 0 0 382.460 5.701 50 0 GKAARN O=C(CCCc1nc2ccccc2s1)N[C@@H]1CCSc2c(F)cccc21 ZINC000012622080 570899403 /nfs/dbraw/zinc/89/94/03/570899403.db2.gz RKKYELONWKOKBN-OAHLLOKOSA-N 0 0 386.517 5.111 50 0 GKAARN Cc1nc(-c2ccsc2)sc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012622581 570899780 /nfs/dbraw/zinc/89/97/80/570899780.db2.gz ZIVCTSPHDFECSE-AWEZNQCLSA-N 0 0 390.530 5.286 50 0 GKAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(F)cc1F ZINC000014794034 570900035 /nfs/dbraw/zinc/90/00/35/570900035.db2.gz XRUGWBYYIVRFJZ-LJQANCHMSA-N 0 0 376.406 5.008 50 0 GKAARN C[P@@](=O)(Nc1cccc(Br)c1)Oc1cccc(Cl)c1Cl ZINC000001230869 570900342 /nfs/dbraw/zinc/90/03/42/570900342.db2.gz XOUJKYLCMPEUOS-FQEVSTJZSA-N 0 0 395.020 6.070 50 0 GKAARN COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1Cl ZINC000015656669 570900722 /nfs/dbraw/zinc/90/07/22/570900722.db2.gz LVDDFYKDPWCYOF-UHFFFAOYSA-N 0 0 389.842 5.211 50 0 GKAARN O=C(Nc1ccccc1Br)NC(c1ccccc1)c1ccccc1 ZINC000013746051 570900931 /nfs/dbraw/zinc/90/09/31/570900931.db2.gz IJOGJBNZZIXIHU-UHFFFAOYSA-N 0 0 381.273 5.360 50 0 GKAARN C[C@H](NC(=O)Nc1ccccc1Br)c1ccc(C(C)(C)C)cc1 ZINC000013745420 570901000 /nfs/dbraw/zinc/90/10/00/570901000.db2.gz RRHNYMLVFBBTET-ZDUSSCGKSA-N 0 0 375.310 5.629 50 0 GKAARN CCCn1c(CC(C)C)c(CC(C)C)nc1SCc1c(F)cccc1Cl ZINC000004024037 570901326 /nfs/dbraw/zinc/90/13/26/570901326.db2.gz FRZMVFZSGGMZBD-UHFFFAOYSA-N 0 0 397.003 6.775 50 0 GKAARN CCc1c(C(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[nH]c(C)c1C(C)=O ZINC000097166203 570901718 /nfs/dbraw/zinc/90/17/18/570901718.db2.gz XBGNREMVASQKFC-OAQYLSRUSA-N 0 0 394.902 5.261 50 0 GKAARN O=C(Nc1cccnc1)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000032904759 570902592 /nfs/dbraw/zinc/90/25/92/570902592.db2.gz ZZZYYTWUCUTVGM-UHFFFAOYSA-N 0 0 377.494 5.236 50 0 GKAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000032904150 570903049 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570933848 /nfs/dbraw/zinc/93/38/48/570933848.db2.gz NMGSDQHBYIYJDD-HNNXBMFYSA-N 0 0 375.493 5.112 50 0 GKAARN Cc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012642194 570933861 /nfs/dbraw/zinc/93/38/61/570933861.db2.gz JJCJDUGCIAVJQW-UHFFFAOYSA-N 0 0 390.490 6.213 50 0 GKAARN Clc1nc2sccn2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000012642592 570933964 /nfs/dbraw/zinc/93/39/64/570933964.db2.gz VNXPPXVUAVBSJE-UHFFFAOYSA-N 0 0 376.872 5.773 50 0 GKAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)c1nc2ccc(C)cc2o1 ZINC000032922268 570933996 /nfs/dbraw/zinc/93/39/96/570933996.db2.gz USZVNBHRUJACDV-UHFFFAOYSA-N 0 0 399.372 5.189 50 0 GKAARN COc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000002876663 570934253 /nfs/dbraw/zinc/93/42/53/570934253.db2.gz RNMUQROMCMMODW-HXUWFJFHSA-N 0 0 395.886 5.783 50 0 GKAARN O=C(C[C@@H](Nc1cccc(Br)c1)c1ccccc1)c1ccc(F)cc1 ZINC000002877539 570934350 /nfs/dbraw/zinc/93/43/50/570934350.db2.gz PISBZNCDFULQIO-HXUWFJFHSA-N 0 0 398.275 6.014 50 0 GKAARN Cc1nc(Cc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)c(C)s2)cs1 ZINC000046814899 570934572 /nfs/dbraw/zinc/93/45/72/570934572.db2.gz QEGNLMGQJKVRJJ-UHFFFAOYSA-N 0 0 385.558 5.459 50 0 GKAARN Clc1ccc(-c2[nH]c(-c3ccc4ncccc4c3)nc2-c2ccccc2)cc1 ZINC000002082639 570934686 /nfs/dbraw/zinc/93/46/86/570934686.db2.gz OZHBKFKRCHAUSL-UHFFFAOYSA-N 0 0 381.866 6.612 50 0 GKAARN O=C(Nc1nc(-c2ccccc2Cl)ns1)c1ccccc1C(F)(F)F ZINC000110381400 570935031 /nfs/dbraw/zinc/93/50/31/570935031.db2.gz NWBQWNUPFUQDLK-UHFFFAOYSA-N 0 0 383.782 5.130 50 0 GKAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(O)cc1C ZINC000170636322 570935216 /nfs/dbraw/zinc/93/52/16/570935216.db2.gz YGIVJMGTSIYSQE-UHFFFAOYSA-N 0 0 392.402 5.404 50 0 GKAARN COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000001236017 570935352 /nfs/dbraw/zinc/93/53/52/570935352.db2.gz FPJPNHBVTCFRRO-MQSCRBSSSA-N 0 0 383.919 5.450 50 0 GKAARN CCCCn1nc(NC(=O)c2cccc(Cl)c2)c2cc3ccccc3nc21 ZINC000017016857 570936983 /nfs/dbraw/zinc/93/69/83/570936983.db2.gz AEDJBYVLDFGVLZ-UHFFFAOYSA-N 0 0 378.863 5.290 50 0 GKAARN C[C@H](Sc1ncc2ccccn21)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017046820 570938188 /nfs/dbraw/zinc/93/81/88/570938188.db2.gz LUPHAEJLJYEVNL-JTQLQIEISA-N 0 0 399.825 5.126 50 0 GKAARN CC(C)(C)c1ccc(O)c(NC(=S)Nc2ccc(Br)cc2)c1 ZINC000017077524 570939563 /nfs/dbraw/zinc/93/95/63/570939563.db2.gz GPJWQXIYZMOURA-UHFFFAOYSA-N 0 0 379.323 5.261 50 0 GKAARN CCn1c(SCc2cccc(OC)c2)nnc1-c1csc2c1CCCC2 ZINC000017078748 570940011 /nfs/dbraw/zinc/94/00/11/570940011.db2.gz KZTBQZDYDLOUDS-UHFFFAOYSA-N 0 0 385.558 5.206 50 0 GKAARN CCc1c(-c2ccc(OC)cc2)nn(-c2ccccc2)c1-c1ccc(OC)cc1 ZINC000017078505 570940033 /nfs/dbraw/zinc/94/00/33/570940033.db2.gz QSTKXPVLPHSVJA-UHFFFAOYSA-N 0 0 384.479 5.786 50 0 GKAARN Cc1cc(CN(C)C(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)no1 ZINC000170638983 570940056 /nfs/dbraw/zinc/94/00/56/570940056.db2.gz KBNYTKZGAXGZOX-UHFFFAOYSA-N 0 0 391.254 5.354 50 0 GKAARN CCc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 ZINC000002093000 570940552 /nfs/dbraw/zinc/94/05/52/570940552.db2.gz XDRDYUQLDOMJKR-UHFFFAOYSA-N 0 0 389.451 5.290 50 0 biogenic GKAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cccc(C)c4)c(C)c3cc2c1C ZINC000002094702 570940896 /nfs/dbraw/zinc/94/08/96/570940896.db2.gz SJEVRCSSCQLWNL-UHFFFAOYSA-N 0 0 389.451 5.344 50 0 biogenic GKAARN CC(C)[C@@H](CCN(C[C@H]1CCOC(C)(C)C1)C(=O)c1ccco1)c1ccco1 ZINC000002094194 570940946 /nfs/dbraw/zinc/94/09/46/570940946.db2.gz HRBJKSOWVORBJP-RBUKOAKNSA-N 0 0 387.520 5.350 50 0 biogenic GKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000017080325 570940949 /nfs/dbraw/zinc/94/09/49/570940949.db2.gz CRHHRWXHINRUMX-UHFFFAOYSA-N 0 0 393.317 7.130 50 0 GKAARN CCCc1cc(=O)oc2cc(C)c3c(-c4ccc(-c5ccccc5)cc4)coc3c12 ZINC000002093617 570940995 /nfs/dbraw/zinc/94/09/95/570940995.db2.gz VJYQYGUELPYVPE-UHFFFAOYSA-N 0 0 394.470 7.134 50 0 biogenic GKAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2s1 ZINC000017081313 570941215 /nfs/dbraw/zinc/94/12/15/570941215.db2.gz ICDIDBQAEOOPGW-UHFFFAOYSA-N 0 0 397.500 5.074 50 0 GKAARN CC[C@@H](NC(=S)Nc1cccc(Cl)c1Cl)c1ccc([C@@H](C)CC)cc1 ZINC000017080785 570941307 /nfs/dbraw/zinc/94/13/07/570941307.db2.gz QJGBINMOIXLARL-SUMWQHHRSA-N 0 0 395.399 6.945 50 0 GKAARN COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1cnoc1C ZINC000017081503 570941325 /nfs/dbraw/zinc/94/13/25/570941325.db2.gz FHNBCQUKFIQGSD-UHFFFAOYSA-N 0 0 398.484 5.048 50 0 GKAARN C[C@@H](c1ccccc1)n1c(=S)[nH]nc1-c1csc2c1CC[C@@H](C(C)(C)C)C2 ZINC000017081374 570941334 /nfs/dbraw/zinc/94/13/34/570941334.db2.gz QGSCAHUGMPRDBW-GOEBONIOSA-N 0 0 397.613 6.429 50 0 GKAARN Nc1c(-c2ccccc2)c(COc2ccccc2)nn1-c1cccc(Cl)c1 ZINC000017087068 570941645 /nfs/dbraw/zinc/94/16/45/570941645.db2.gz WBUXSSRNENHQAX-UHFFFAOYSA-N 0 0 375.859 5.354 50 0 GKAARN Cc1ccc(-n2ncc3c2ncnc3N(Cc2ccccc2)C(C)C)cc1Cl ZINC000017120840 570941856 /nfs/dbraw/zinc/94/18/56/570941856.db2.gz LACDCOVSAZDXTP-UHFFFAOYSA-N 0 0 391.906 5.192 50 0 GKAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccc2)cc1 ZINC000047157720 570944617 /nfs/dbraw/zinc/94/46/17/570944617.db2.gz DYWKILFYEUFLTG-UHFFFAOYSA-N 0 0 399.450 5.651 50 0 GKAARN CCOc1ccc(Br)c([C@@H]2Nc3ccc(C)cc3[C@H]3OCC[C@H]32)c1 ZINC000033271167 570946777 /nfs/dbraw/zinc/94/67/77/570946777.db2.gz ZKJZZRJWRUAGDF-KPOBHBOGSA-N 0 0 388.305 5.401 50 0 GKAARN CCc1ccccc1NC(=O)c1ccc(Cl)c(-n2c(C)nc3cccnc32)c1 ZINC000032932150 570946896 /nfs/dbraw/zinc/94/68/96/570946896.db2.gz KJUACKXEAYMJEM-UHFFFAOYSA-N 0 0 390.874 5.197 50 0 GKAARN CCOc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271107 570947101 /nfs/dbraw/zinc/94/71/01/570947101.db2.gz IDXIPPCHAZPXTQ-VDGAXYAQSA-N 0 0 388.305 5.482 50 0 GKAARN Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935127 570947164 /nfs/dbraw/zinc/94/71/64/570947164.db2.gz OLNSRAXBIPUINT-HSZRJFAPSA-N 0 0 392.474 5.379 50 0 GKAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000033271176 570947209 /nfs/dbraw/zinc/94/72/09/570947209.db2.gz GJWLSGOCSJAGKJ-GKCIPKSASA-N 0 0 388.305 5.265 50 0 GKAARN Clc1ccc2nc(CSc3nc4ccccc4n3-c3ccccc3)cn2c1 ZINC000012660845 570947702 /nfs/dbraw/zinc/94/77/02/570947702.db2.gz LUBUVIHIBCXABL-UHFFFAOYSA-N 0 0 390.899 5.619 50 0 GKAARN c1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]34Oc3ccccc3N24)cc1 ZINC000004733047 570947677 /nfs/dbraw/zinc/94/76/77/570947677.db2.gz AHIXHZXYZJAXJS-OBTVHEKISA-N 0 0 379.503 6.610 50 0 GKAARN Cc1cccc(C)c1NC(=O)[C@H](C)SCc1ccc(F)cc1Br ZINC000012669890 570947938 /nfs/dbraw/zinc/94/79/38/570947938.db2.gz OGPZXHIABMXLOY-ZDUSSCGKSA-N 0 0 396.325 5.465 50 0 GKAARN Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3ccc(Br)cn32)cc1 ZINC000004733919 570948129 /nfs/dbraw/zinc/94/81/29/570948129.db2.gz WYFDEOBOTOWMMD-UHFFFAOYSA-N 0 0 392.300 6.124 50 0 GKAARN Cc1ccc2nc(-c3cccc(Br)c3)c(Nc3ccccc3C)n2c1 ZINC000004733769 570948226 /nfs/dbraw/zinc/94/82/26/570948226.db2.gz KTLJVTGTDGHEGB-UHFFFAOYSA-N 0 0 392.300 6.124 50 0 GKAARN O=C(Nc1ccccc1Br)c1ccccc1SCC(F)(F)F ZINC000032936684 570948362 /nfs/dbraw/zinc/94/83/62/570948362.db2.gz MGOYNAMBOOLDLM-UHFFFAOYSA-N 0 0 390.224 5.356 50 0 GKAARN CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(C)cc2)cc1 ZINC000004733955 570948565 /nfs/dbraw/zinc/94/85/65/570948565.db2.gz PIGKWWLAKZKQQK-UHFFFAOYSA-N 0 0 379.916 6.429 50 0 GKAARN Cc1ccc(Nc2c(-c3ccccc3)nc3ccc(Br)cn32)cc1 ZINC000004735133 570949088 /nfs/dbraw/zinc/94/90/88/570949088.db2.gz PNBWYEXTFVNWSC-UHFFFAOYSA-N 0 0 378.273 5.816 50 0 GKAARN Clc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn32)cc1 ZINC000004733556 570949463 /nfs/dbraw/zinc/94/94/63/570949463.db2.gz PVDCCZQHXYYZQN-UHFFFAOYSA-N 0 0 388.685 6.705 50 0 GKAARN Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2ccc(Br)cn21 ZINC000004733582 570949517 /nfs/dbraw/zinc/94/95/17/570949517.db2.gz SZCONBNZAHWMGJ-UHFFFAOYSA-N 0 0 398.329 6.186 50 0 GKAARN C/C(=C\c1ccccc1)c1nc2ccc(Cl)cn2c1Nc1c(C)cccc1C ZINC000004733564 570949566 /nfs/dbraw/zinc/94/95/66/570949566.db2.gz WVHZPSLPSLSNDO-NBVRZTHBSA-N 0 0 387.914 6.909 50 0 GKAARN CC1=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017987007 570949598 /nfs/dbraw/zinc/94/95/98/570949598.db2.gz ZHPHBZCWGGOMDX-FGZHOGPDSA-N 0 0 389.495 5.622 50 0 GKAARN Cc1ccccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001253952 570950099 /nfs/dbraw/zinc/95/00/99/570950099.db2.gz SJTFQXIOMUEILD-UHFFFAOYSA-N 0 0 390.870 5.104 50 0 GKAARN c1ccc2oc(Sc3nc4ccccc4n3-c3nc4ccccc4o3)nc2c1 ZINC000001257169 570950583 /nfs/dbraw/zinc/95/05/83/570950583.db2.gz TZAHOAZYQOPNEO-UHFFFAOYSA-N 0 0 384.420 5.459 50 0 GKAARN CCOC(=O)c1cnc2cc(Cl)c(Oc3ccc(Cl)cc3)cc2c1O ZINC000018142196 570951041 /nfs/dbraw/zinc/95/10/41/570951041.db2.gz NBAODDXGWPYIRM-UHFFFAOYSA-N 0 0 378.211 5.216 50 0 GKAARN COc1ccc(-n2c(/C=C\c3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1 ZINC000083261672 570951353 /nfs/dbraw/zinc/95/13/53/570951353.db2.gz UVBPJUDHWSVNFU-GDNBJRDFSA-N 0 0 393.446 5.046 50 0 GKAARN Cc1cc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)ccc1Cl ZINC000004108856 570951848 /nfs/dbraw/zinc/95/18/48/570951848.db2.gz PROLUZKFEWPDME-UHFFFAOYSA-N 0 0 381.781 5.427 50 0 GKAARN Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)c1 ZINC000004108849 570951876 /nfs/dbraw/zinc/95/18/76/570951876.db2.gz HWNPKDGQYLUSSG-UHFFFAOYSA-N 0 0 389.417 5.897 50 0 GKAARN CC(C)c1nn(-c2ccc(F)cc2)c2nc(-c3ccn(C)n3)cc(C(F)F)c12 ZINC000020615160 570952043 /nfs/dbraw/zinc/95/20/43/570952043.db2.gz GSTMRGDAPMBTJY-UHFFFAOYSA-N 0 0 385.393 5.021 50 0 GKAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3c(Cl)cccc3Cl)sc21 ZINC000020616634 570952061 /nfs/dbraw/zinc/95/20/61/570952061.db2.gz JNQLEYHTEMREQK-UHFFFAOYSA-N 0 0 394.205 5.213 50 0 GKAARN CC1(C)CC(=O)C([C@H]2C[C@H](c3ccccc3)OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000000834752 570952741 /nfs/dbraw/zinc/95/27/41/570952741.db2.gz ABRCJYCWTUTXKV-OXQOHEQNSA-N 0 0 394.511 5.609 50 0 GKAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(Oc3ccccc3)cc2)CO1 ZINC000002117055 570952799 /nfs/dbraw/zinc/95/27/99/570952799.db2.gz OWPHFKGFFKRYDO-UHFFFAOYSA-N 0 0 399.446 5.504 50 0 biogenic GKAARN CCc1cccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 ZINC000002117582 570952870 /nfs/dbraw/zinc/95/28/70/570952870.db2.gz UYCGFFPZJWGSHP-UHFFFAOYSA-N 0 0 383.447 5.379 50 0 biogenic GKAARN COc1cc(C)nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000033278723 570952924 /nfs/dbraw/zinc/95/29/24/570952924.db2.gz UVDDRTFJKWCLCS-UHFFFAOYSA-N 0 0 375.350 5.215 50 0 GKAARN COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O ZINC000000970585 570953216 /nfs/dbraw/zinc/95/32/16/570953216.db2.gz SMKDEHJOTMHCOR-XDHOZWIPSA-N 0 0 395.480 5.393 50 0 GKAARN CCCCc1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1 ZINC000002119879 570953701 /nfs/dbraw/zinc/95/37/01/570953701.db2.gz OHJJXSRRIDYVCW-UHFFFAOYSA-N 0 0 377.484 5.417 50 0 biogenic GKAARN Cc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1C ZINC000002119599 570953744 /nfs/dbraw/zinc/95/37/44/570953744.db2.gz YWYMTYRWANOWFB-UHFFFAOYSA-N 0 0 383.447 5.433 50 0 biogenic GKAARN COc1ccc2c(c1)oc(-c1ccc3c(c1)OCCO3)c/c2=N\c1ccccc1 ZINC000001280479 570953978 /nfs/dbraw/zinc/95/39/78/570953978.db2.gz OSRTYIBRHNUANL-LKUDQCMESA-N 0 0 385.419 5.112 50 0 GKAARN CC(C)(C)c1ccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)cc1 ZINC000003198986 570955242 /nfs/dbraw/zinc/95/52/42/570955242.db2.gz GJKCRLUTAHWJOC-ZHACJKMWSA-N 0 0 387.405 5.211 50 0 GKAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000033288185 570955841 /nfs/dbraw/zinc/95/58/41/570955841.db2.gz LYSQATBMMCCGBO-UHFFFAOYSA-N 0 0 397.478 5.070 50 0 GKAARN O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000047407830 570955827 /nfs/dbraw/zinc/95/58/27/570955827.db2.gz KHEJMTYRZGCEPY-UHFFFAOYSA-N 0 0 397.456 5.341 50 0 GKAARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C)c(Cl)c2)CO1 ZINC000002121237 570955923 /nfs/dbraw/zinc/95/59/23/570955923.db2.gz PDIKNUBKPLYWMB-UHFFFAOYSA-N 0 0 383.875 5.454 50 0 biogenic GKAARN Cc1cccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c1C ZINC000033288938 570955967 /nfs/dbraw/zinc/95/59/67/570955967.db2.gz WGFUUKRMXFCENL-UHFFFAOYSA-N 0 0 395.553 5.284 50 0 GKAARN CCCc1cc(=O)oc2c1ccc1c2CN(c2c(C)cccc2C(C)C)CO1 ZINC000002122731 570956371 /nfs/dbraw/zinc/95/63/71/570956371.db2.gz SKGHATYABGHEIJ-UHFFFAOYSA-N 0 0 377.484 5.534 50 0 biogenic GKAARN Cc1ccccc1Sc1nccnc1SCC(=O)NCCC1=CCCCC1 ZINC000033288986 570956410 /nfs/dbraw/zinc/95/64/10/570956410.db2.gz RWTYEZORSMKYSG-UHFFFAOYSA-N 0 0 399.585 5.035 50 0 GKAARN Cc1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000004742344 570956892 /nfs/dbraw/zinc/95/68/92/570956892.db2.gz DTNPQMKFRRWXSO-UHFFFAOYSA-N 0 0 395.893 6.692 50 0 GKAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1ccc(Cl)c(Cl)c1 ZINC000003330547 570957184 /nfs/dbraw/zinc/95/71/84/570957184.db2.gz MCSZMGSFQLUYDP-FNORWQNLSA-N 0 0 375.173 5.769 50 0 GKAARN CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(CCc2ccc(Cl)cc2)C1=O ZINC000004746761 570958141 /nfs/dbraw/zinc/95/81/41/570958141.db2.gz YYFCGWZGPDSTCK-JOCHJYFZSA-N 0 0 378.903 5.294 50 0 GKAARN COc1ccc([C@H](CCN(Cc2ccco2)C(C)=O)Cc2ccccc2)cc1 ZINC000001322156 570958330 /nfs/dbraw/zinc/95/83/30/570958330.db2.gz QCYHDYVUBLFVGM-JOCHJYFZSA-N 0 0 377.484 5.053 50 0 biogenic GKAARN Cc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc32)c(C)c1 ZINC000001322039 570958343 /nfs/dbraw/zinc/95/83/43/570958343.db2.gz IEAYSWRRINZSCV-LKUDQCMESA-N 0 0 385.419 5.383 50 0 biogenic GKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(C2CCCC2)[nH]1)c1ccccc1 ZINC000012103800 570958646 /nfs/dbraw/zinc/95/86/46/570958646.db2.gz FLVBOWPOILPQLM-SFHVURJKSA-N 0 0 396.491 5.074 50 0 GKAARN Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)c2ccccc2)c1 ZINC000004747008 570958736 /nfs/dbraw/zinc/95/87/36/570958736.db2.gz GKEHCWSEMZSYBF-UHFFFAOYSA-N 0 0 384.262 5.785 50 0 GKAARN Cc1ccc([C@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)o1 ZINC000004748033 570959424 /nfs/dbraw/zinc/95/94/24/570959424.db2.gz SIPDLTGXIDNIHD-QFIPXVFZSA-N 0 0 379.415 6.085 50 0 GKAARN Cc1ccc([C@@H]2c3c(ccc4ccccc43)Nc3c4ccccc4oc(=O)c32)o1 ZINC000004748024 570959474 /nfs/dbraw/zinc/95/94/74/570959474.db2.gz SIPDLTGXIDNIHD-JOCHJYFZSA-N 0 0 379.415 6.085 50 0 GKAARN C(=C/c1ccccc1)\CN1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000019156875 570959542 /nfs/dbraw/zinc/95/95/42/570959542.db2.gz XTQZJJBBOYCKFA-RIYZIHGNSA-N 0 0 398.550 5.097 50 0 GKAARN Cc1cc(C)c(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)OCc2ccccc2)c(C)c1 ZINC000106303448 570959874 /nfs/dbraw/zinc/95/98/74/570959874.db2.gz SNGUJHXDBACNEW-UKILVPOCSA-N 0 0 399.490 5.447 50 0 GKAARN CCOC(=O)c1ccc2ccccc2c1-c1c(C(=O)OCC)ccc2ccccc21 ZINC000004744176 570959973 /nfs/dbraw/zinc/95/99/73/570959973.db2.gz HLFQIAWPXFJLIZ-UHFFFAOYSA-N 0 0 398.458 6.013 50 0 GKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C)c3C)c(C)s2)sc1C ZINC000033290033 570960692 /nfs/dbraw/zinc/96/06/92/570960692.db2.gz HMUXTAATZWGHNJ-UHFFFAOYSA-N 0 0 392.571 5.215 50 0 GKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)s2)sc1C ZINC000033290094 570960845 /nfs/dbraw/zinc/96/08/45/570960845.db2.gz NSKYMIIRXLPVGK-UHFFFAOYSA-N 0 0 396.534 5.045 50 0 GKAARN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2nc(C)cs2)sc1C ZINC000033289985 570960860 /nfs/dbraw/zinc/96/08/60/570960860.db2.gz LCBGWUAPENQGBL-UHFFFAOYSA-N 0 0 392.571 5.160 50 0 GKAARN Cc1nc(-c2cc(S(=O)(=O)Nc3c(C)cccc3C)c(C)s2)sc1C ZINC000033290034 570960888 /nfs/dbraw/zinc/96/08/88/570960888.db2.gz KYXSLYYVQMLLTG-UHFFFAOYSA-N 0 0 392.571 5.215 50 0 GKAARN CCCCc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[nH]2)cc1 ZINC000012168942 570961142 /nfs/dbraw/zinc/96/11/42/570961142.db2.gz LHHRGOORJUJXBI-UHFFFAOYSA-N 0 0 394.446 5.100 50 0 GKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc2ccccc2c1 ZINC000004749062 570961287 /nfs/dbraw/zinc/96/12/87/570961287.db2.gz KSHJTBKGNGBHPW-UHFFFAOYSA-N 0 0 398.849 6.554 50 0 GKAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)OCc3nc4ccccc4o3)c12 ZINC000012177930 570961484 /nfs/dbraw/zinc/96/14/84/570961484.db2.gz ZPJHSWMHPKCEIM-UHFFFAOYSA-N 0 0 399.406 5.005 50 0 GKAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1cccc(C(F)(F)F)c1 ZINC000004134662 570961682 /nfs/dbraw/zinc/96/16/82/570961682.db2.gz RHHJJAAKXRPVDD-UHFFFAOYSA-N 0 0 398.409 5.819 50 0 GKAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCCCC2 ZINC000004134789 570962374 /nfs/dbraw/zinc/96/23/74/570962374.db2.gz FIWRVDXLYQGURN-UHFFFAOYSA-N 0 0 383.922 5.161 50 0 GKAARN COc1ccc([C@H]2C=C(c3ccccc3)n3c4ccccc4c4c3[C@@H]2CCC4)cc1 ZINC000002133258 570962486 /nfs/dbraw/zinc/96/24/86/570962486.db2.gz KEVGTPADZDHQBH-JWQCQUIFSA-N 0 0 391.514 6.756 50 0 biogenic GKAARN COc1ccc([C@@H]2C=C(c3ccccc3)n3c4ccccc4c4c3[C@H]2CCC4)cc1 ZINC000002133265 570962584 /nfs/dbraw/zinc/96/25/84/570962584.db2.gz KEVGTPADZDHQBH-DQEYMECFSA-N 0 0 391.514 6.756 50 0 biogenic GKAARN O=C(Nc1cccc(Cl)c1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000000640534 570962998 /nfs/dbraw/zinc/96/29/98/570962998.db2.gz GFTWLOULAOIFTD-UHFFFAOYSA-N 0 0 385.294 6.228 50 0 GKAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 ZINC000000637816 570963037 /nfs/dbraw/zinc/96/30/37/570963037.db2.gz QQNUGZJKIFNWSW-JOCHJYFZSA-N 0 0 398.911 5.436 50 0 GKAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cc(-c2ccccc2)nc2ccccc21 ZINC000033299081 570963058 /nfs/dbraw/zinc/96/30/58/570963058.db2.gz BRPCXKNIQYECKP-UHFFFAOYSA-N 0 0 393.446 5.039 50 0 GKAARN CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cccc(O)c3)C[C@H]21 ZINC000007596957 570963570 /nfs/dbraw/zinc/96/35/70/570963570.db2.gz ZDIFSHYDPSLJQN-KNQAVFIVSA-N 0 0 392.480 5.095 50 0 GKAARN Cc1ccc(Cl)cc1-n1c(SCc2ccccc2F)nnc1-c1ccco1 ZINC000004144731 570964367 /nfs/dbraw/zinc/96/43/67/570964367.db2.gz XFOALFBFCOQSJE-UHFFFAOYSA-N 0 0 399.878 5.921 50 0 GKAARN Cc1ccc(-c2nc(CN3CCCC[C@H]3c3nc4ccccc4[nH]3)c(C)o2)o1 ZINC000019227290 570964562 /nfs/dbraw/zinc/96/45/62/570964562.db2.gz WNKWQBRKESTFKB-IBGZPJMESA-N 0 0 376.460 5.155 50 0 GKAARN CSc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000007598149 570964568 /nfs/dbraw/zinc/96/45/68/570964568.db2.gz OLDXTCCNGZJYSW-UHFFFAOYSA-N 0 0 388.920 5.315 50 0 GKAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000007599219 570964760 /nfs/dbraw/zinc/96/47/60/570964760.db2.gz OWQGATSTGJHSBW-UHFFFAOYSA-N 0 0 384.844 5.227 50 0 GKAARN CCc1cccc(CC)c1Nc1nc(-c2ccc(CN(C)C(C)=O)cc2)cs1 ZINC000012700051 570965650 /nfs/dbraw/zinc/96/56/50/570965650.db2.gz ZOBSOXOIPPJBSR-UHFFFAOYSA-N 0 0 393.556 5.657 50 0 GKAARN CCOC(=O)c1cc(C(=O)c2ccccc2Cl)n2ccc3ccccc3c12 ZINC000002544918 570965700 /nfs/dbraw/zinc/96/57/00/570965700.db2.gz WFHAIJQEQNSNDQ-UHFFFAOYSA-N 0 0 377.827 5.154 50 0 GKAARN Cc1ccc2nc(-c3ccc(C(C)(C)C)cc3)c(Nc3c(C)cccc3C)n2c1 ZINC000004756340 570966671 /nfs/dbraw/zinc/96/66/71/570966671.db2.gz KZNWRVPTPIIWSW-UHFFFAOYSA-N 0 0 383.539 6.968 50 0 GKAARN O=C(NCc1ccnc(-c2cccs2)c1)Nc1ccccc1C(F)(F)F ZINC000225652663 570967192 /nfs/dbraw/zinc/96/71/92/570967192.db2.gz NEVCGKTYUXXMDP-UHFFFAOYSA-N 0 0 377.391 5.151 50 0 GKAARN Cc1cc(Cl)ccc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000011327523 570969243 /nfs/dbraw/zinc/96/92/43/570969243.db2.gz VTCJQJNRBANWMK-UHFFFAOYSA-N 0 0 376.790 5.153 50 0 GKAARN O=C(/C=C/c1ccccc1Cl)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000211084199 570969608 /nfs/dbraw/zinc/96/96/08/570969608.db2.gz LYRURSIRWBBHMJ-VMPITWQZSA-N 0 0 387.913 5.024 50 0 GKAARN CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 ZINC000002145954 570971156 /nfs/dbraw/zinc/97/11/56/570971156.db2.gz FIAXKEMRWVDFOU-UHFFFAOYSA-N 0 0 382.459 7.010 50 0 biogenic GKAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1ccccc1Cl ZINC000033312708 570971387 /nfs/dbraw/zinc/97/13/87/570971387.db2.gz JRQQBLKXTDOUQN-UHFFFAOYSA-N 0 0 380.810 5.438 50 0 GKAARN Cc1csc(-c2ccc(NC(=O)N3CCC[C@H](c4nc(C)cs4)C3)cc2)n1 ZINC000170643974 570972131 /nfs/dbraw/zinc/97/21/31/570972131.db2.gz KRYMUZBLRRJRNZ-INIZCTEOSA-N 0 0 398.557 5.295 50 0 GKAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942403 570973313 /nfs/dbraw/zinc/97/33/13/570973313.db2.gz WGAWEWHGBGUKEJ-OAQYLSRUSA-N 0 0 393.389 5.031 50 0 GKAARN CN(Cc1cccc(O)c1)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000083864157 570974188 /nfs/dbraw/zinc/97/41/88/570974188.db2.gz SCICCXJNQHKPGX-UHFFFAOYSA-N 0 0 390.464 5.048 50 0 GKAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(Cl)sc1Cl ZINC000004173505 570974736 /nfs/dbraw/zinc/97/47/36/570974736.db2.gz LXFTZIPQGCOIMR-UHFFFAOYSA-N 0 0 378.302 5.162 50 0 GKAARN Cc1cccc(C(C)C)c1N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 ZINC000002160158 570974826 /nfs/dbraw/zinc/97/48/26/570974826.db2.gz MRJTXTDZANPJFL-UHFFFAOYSA-N 0 0 389.495 5.460 50 0 biogenic GKAARN Cc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1 ZINC000107552433 570975119 /nfs/dbraw/zinc/97/51/19/570975119.db2.gz CHJPCSMDNBZSQM-UHFFFAOYSA-N 0 0 398.289 6.094 50 0 GKAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1cccc(C(=O)c2ccccc2)c1 ZINC000085414296 570975471 /nfs/dbraw/zinc/97/54/71/570975471.db2.gz YXHVBYNZWLGUNZ-AWEZNQCLSA-N 0 0 398.289 5.967 50 0 GKAARN CC(C)OCCCN1C(=O)CC[C@@H]1c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000085430378 570976004 /nfs/dbraw/zinc/97/60/04/570976004.db2.gz QOTHESMDUHANFG-OAQYLSRUSA-N 0 0 394.490 5.453 50 0 GKAARN CCc1ccc([C@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc(F)cc2)cc1 ZINC000004770801 570976371 /nfs/dbraw/zinc/97/63/71/570976371.db2.gz ISLRUKGHKCIZAQ-NRFANRHFSA-N 0 0 391.442 5.543 50 0 GKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)Nc2ccccc2Cl)cc1 ZINC000085808260 570976390 /nfs/dbraw/zinc/97/63/90/570976390.db2.gz ZNLIMXZPPDRRJB-UHFFFAOYSA-N 0 0 375.859 6.441 50 0 GKAARN O=C1c2ccccc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 ZINC000252500435 570976490 /nfs/dbraw/zinc/97/64/90/570976490.db2.gz SVQPPIHQBQJZGX-SANMLTNESA-N 0 0 389.454 5.668 50 0 GKAARN Fc1c(F)c(F)c(CSc2nnc(-c3c[nH]c4ccccc43)o2)c(F)c1F ZINC000011348262 570976814 /nfs/dbraw/zinc/97/68/14/570976814.db2.gz XMYBSMRUCXYJFT-UHFFFAOYSA-N 0 0 397.328 5.206 50 0 GKAARN COc1ccc(COn2c3cc(Cl)ccc3nc2-c2ccc(OC)cc2)cc1 ZINC000001389376 570976792 /nfs/dbraw/zinc/97/67/92/570976792.db2.gz BFSUBYRXVTYOQI-UHFFFAOYSA-N 0 0 394.858 5.003 50 0 GKAARN Cc1cc(N2CCn3c4ccc(Cl)cc4nc3C2)ccc1NC(=O)CC(C)C ZINC000033320651 570977148 /nfs/dbraw/zinc/97/71/48/570977148.db2.gz LBNSPWCMSSKDFU-UHFFFAOYSA-N 0 0 396.922 5.003 50 0 GKAARN CCc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1 ZINC000046022257 570978273 /nfs/dbraw/zinc/97/82/73/570978273.db2.gz GBDBPAPHGORMEB-UHFFFAOYSA-N 0 0 397.569 5.154 50 0 GKAARN Cc1ccc2c(c1)N(C(=O)c1cccc(C(F)(F)F)c1)[C@H](C(C)(C)C)CO2 ZINC000001393790 570978430 /nfs/dbraw/zinc/97/84/30/570978430.db2.gz UPVUNAGAPPIYDV-SFHVURJKSA-N 0 0 377.406 5.468 50 0 GKAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(-c4cccs4)n3c2n1 ZINC000001392366 570978535 /nfs/dbraw/zinc/97/85/35/570978535.db2.gz IXVSOOCAVWSCQL-UHFFFAOYSA-N 0 0 388.296 5.044 50 0 GKAARN Cc1cccc(C(=O)N[C@H](Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)c1 ZINC000004774858 570978916 /nfs/dbraw/zinc/97/89/16/570978916.db2.gz ZEBKJWXBONUJNA-KRWDZBQOSA-N 0 0 385.722 5.150 50 0 GKAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3C)n2)cc1 ZINC000033324962 570979059 /nfs/dbraw/zinc/97/90/59/570979059.db2.gz BPZCMBCNOAZQTC-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838216 570979199 /nfs/dbraw/zinc/97/91/99/570979199.db2.gz WVKLHCKMHAYYEV-UHFFFAOYSA-N 0 0 397.356 5.381 50 0 GKAARN Cc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3cccc(C)c3)no2)cc1 ZINC000033324986 570979144 /nfs/dbraw/zinc/97/91/44/570979144.db2.gz JXMVNDYGZPVNGN-UHFFFAOYSA-N 0 0 399.450 5.038 50 0 GKAARN O=C(Nc1ccc(F)cc1F)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000001397264 570979979 /nfs/dbraw/zinc/97/99/79/570979979.db2.gz KXTNCBSPMYKCKP-UHFFFAOYSA-N 0 0 392.430 6.008 50 0 GKAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000033326383 570980321 /nfs/dbraw/zinc/98/03/21/570980321.db2.gz ZVILVAMMHUZXET-UHFFFAOYSA-N 0 0 394.540 5.509 50 0 GKAARN COc1ccc(-c2nc3ccccc3n2OCc2c(Cl)cccc2Cl)cc1 ZINC000001396565 570980818 /nfs/dbraw/zinc/98/08/18/570980818.db2.gz XXGWQNUHKKEFQD-UHFFFAOYSA-N 0 0 399.277 5.648 50 0 GKAARN COc1ccc(C2=CCN(C(=O)c3cccnc3SC3CCCC3)CC2)cc1 ZINC000083943711 570981303 /nfs/dbraw/zinc/98/13/03/570981303.db2.gz LWEYDHGBZKQQEH-UHFFFAOYSA-N 0 0 394.540 5.054 50 0 GKAARN COc1cc(OC)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1F ZINC000120623506 570982666 /nfs/dbraw/zinc/98/26/66/570982666.db2.gz VUYNVQIJCKOMTJ-UHFFFAOYSA-N 0 0 375.783 5.009 50 0 GKAARN Cc1ccccc1-n1c(SCc2cccc(Cl)c2)nnc1C1CCCCC1 ZINC000004184572 570984684 /nfs/dbraw/zinc/98/46/84/570984684.db2.gz WOGLJMRYQJXRMR-UHFFFAOYSA-N 0 0 397.975 6.569 50 0 GKAARN Cc1cccc(C[C@H](c2nc3ccccc3[nH]2)[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001409357 570985168 /nfs/dbraw/zinc/98/51/68/570985168.db2.gz MRZXGCVXVOWURN-HKUYNNGSSA-N 0 0 380.495 5.878 50 0 GKAARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000001409963 570985275 /nfs/dbraw/zinc/98/52/75/570985275.db2.gz JIDHTQCYHXRSGQ-UHFFFAOYSA-N 0 0 392.886 5.096 50 0 GKAARN Cc1nc(NC(=O)c2ccccc2C)sc1-c1nc(-c2cccc(C)c2)no1 ZINC000033331324 570987342 /nfs/dbraw/zinc/98/73/42/570987342.db2.gz YERUQQRYISZHKR-UHFFFAOYSA-N 0 0 390.468 5.038 50 0 GKAARN Cc1nc(NC(=O)c2cccc(C)c2)sc1-c1nc(-c2cccc(C)c2)no1 ZINC000033331328 570987367 /nfs/dbraw/zinc/98/73/67/570987367.db2.gz WKWWSXVKECBOCK-UHFFFAOYSA-N 0 0 390.468 5.038 50 0 GKAARN Cc1nc(-c2cc3cccc(C)c3nc2NCc2ccc(F)c(Cl)c2)no1 ZINC000033331495 570987455 /nfs/dbraw/zinc/98/74/55/570987455.db2.gz UVBLOMJDYWCNLI-UHFFFAOYSA-N 0 0 382.826 5.306 50 0 GKAARN Cc1ccc(CNc2nc3cc(C)ccc3cc2-c2noc(-c3ccccc3)n2)o1 ZINC000033331542 570987472 /nfs/dbraw/zinc/98/74/72/570987472.db2.gz VRASHDCNFXCUCP-UHFFFAOYSA-N 0 0 396.450 5.774 50 0 GKAARN Cc1nc(-c2cc3cccc(C)c3nc2NCc2cccc(C(F)(F)F)c2)no1 ZINC000033331503 570987544 /nfs/dbraw/zinc/98/75/44/570987544.db2.gz IQLQGTUXOMWHCO-UHFFFAOYSA-N 0 0 398.388 5.533 50 0 GKAARN Cc1cccc2cc(-c3noc(C(C)C)n3)c(NCc3ccc(F)cc3)nc12 ZINC000033331474 570987583 /nfs/dbraw/zinc/98/75/83/570987583.db2.gz QZJJOQVLRKEIFX-UHFFFAOYSA-N 0 0 376.435 5.468 50 0 GKAARN Cc1ccc2cc(-c3noc(-c4ccccc4)n3)c(NCc3cccs3)nc2c1 ZINC000033331594 570987606 /nfs/dbraw/zinc/98/76/06/570987606.db2.gz ZUIVKUCGVYXABP-UHFFFAOYSA-N 0 0 398.491 5.934 50 0 GKAARN Cc1cccc2cc(-c3noc(C(C)C)n3)c(NCc3cccc(F)c3)nc12 ZINC000033331376 570987681 /nfs/dbraw/zinc/98/76/81/570987681.db2.gz PWPVPWSNBPZZDF-UHFFFAOYSA-N 0 0 376.435 5.468 50 0 GKAARN C/C(=C(/NC(=O)c1ccccc1)C(=O)Nc1ccc(C)cc1)c1ccc(C)cc1 ZINC000108518259 570989295 /nfs/dbraw/zinc/98/92/95/570989295.db2.gz JGLNMJJRQWLVGH-NMWGTECJSA-N 0 0 384.479 5.103 50 0 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