smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CCCC)cc3[nH]2)cc1 ZINC000002374815 209359561 /nfs/dbraw/zinc/35/95/61/209359561.db2.gz BYFSSPLAJXGGHV-UHFFFAOYSA-N 0 1 392.503 5.487 50 0 GKAAMN COc1cccc([C@@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000002351436 209359180 /nfs/dbraw/zinc/35/91/80/209359180.db2.gz XBBZLOKOMXVGTI-DEOSSOPVSA-N 0 1 384.479 5.396 50 0 GKAAMN Cc1ccc(-c2[nH]c(-c3cccc(Br)c3)nc2-c2ccccc2)cc1 ZINC000002275574 209353507 /nfs/dbraw/zinc/35/35/07/209353507.db2.gz GYYXNPKPSASFBR-UHFFFAOYSA-N 0 1 389.296 6.482 50 0 GKAAMN CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)Nc2cnc3ccccc3c2)c1 ZINC000001436714 209327855 /nfs/dbraw/zinc/32/78/55/209327855.db2.gz JMBISMYVHIAXTK-UHFFFAOYSA-N 0 1 396.556 5.631 50 0 GKAAMN O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000001230855 209315662 /nfs/dbraw/zinc/31/56/62/209315662.db2.gz LAIGOIAZKFSVQD-UHFFFAOYSA-N 0 1 390.247 5.596 50 0 GKAAMN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)N2CCCCC2)c1C ZINC000000630637 209253219 /nfs/dbraw/zinc/25/32/19/209253219.db2.gz VZEJFTXULJXTJC-FQEVSTJZSA-N 0 1 395.528 5.181 50 0 GKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000000935764 212196896 /nfs/dbraw/zinc/19/68/96/212196896.db2.gz DHJOFSFWEMRHAS-HXUWFJFHSA-N 0 1 398.503 5.535 50 0 GKAAMN COc1ccc2cc(CNCc3ccccc3F)c(-c3ccsc3)nc2c1 ZINC000299798127 212039182 /nfs/dbraw/zinc/03/91/82/212039182.db2.gz PXBBAQWQVFNQDS-UHFFFAOYSA-N 0 1 378.472 5.401 50 0 GKAAMN Brc1ccc2nc(CCc3ccccc3)c(NC3CCCCC3)n2c1 ZINC000004155373 204030445 /nfs/dbraw/zinc/03/04/45/204030445.db2.gz FZGUNCUYUQGUIA-UHFFFAOYSA-N 0 1 398.348 5.627 50 0 GKAAMN Cc1cccc(Cn2cccc2CN(Cc2cccc(F)c2F)[C@@H](C)C(C)C)c1 ZINC000004735735 204071048 /nfs/dbraw/zinc/07/10/48/204071048.db2.gz LSDNCVFVCJTSAR-FQEVSTJZSA-N 0 1 396.525 6.170 50 0 GKAAMN c1[nH]c2ccccc2c1-c1n[nH]c(-c2ccccc2)c1-c1nc2ccccc2[nH]1 ZINC000004864768 204082815 /nfs/dbraw/zinc/08/28/15/204082815.db2.gz QIADUYOIMCLTPV-UHFFFAOYSA-N 0 1 375.435 5.768 50 0 GKAAMN Oc1ccc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/c3ccccn3)oc2c1 ZINC000004663727 204061327 /nfs/dbraw/zinc/06/13/27/204061327.db2.gz SDCNBNFRWDZTHK-ROMGYVFFSA-N 0 1 397.459 5.556 50 0 GKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000006752928 204200950 /nfs/dbraw/zinc/20/09/50/204200950.db2.gz FPCGEKHGGMCHDN-QFIPXVFZSA-N 0 1 389.499 5.035 50 0 GKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000009942470 204328065 /nfs/dbraw/zinc/32/80/65/204328065.db2.gz RJXSMTCNWROJID-UHFFFAOYSA-N 0 1 396.560 5.136 50 0 GKAAMN CCOc1cc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000011613727 204348217 /nfs/dbraw/zinc/34/82/17/204348217.db2.gz HKPWBBDCCLFYJN-UHFFFAOYSA-N 0 1 394.707 5.155 50 0 GKAAMN COc1cccc([C@H]2CCCN2Cc2nc(-c3ccccc3OC)oc2C)c1 ZINC000011933821 204362867 /nfs/dbraw/zinc/36/28/67/204362867.db2.gz ZAEJNKLUJOLPRW-OAQYLSRUSA-N 0 1 378.472 5.004 50 0 GKAAMN COc1ccc(OC)c(CN2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348133 205012188 /nfs/dbraw/zinc/01/21/88/205012188.db2.gz RQONBWWAEZTKLP-RUZDIDTESA-N 0 1 390.527 5.117 50 0 GKAAMN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(C)cc2C)cc1OC ZINC000036348470 205012262 /nfs/dbraw/zinc/01/22/62/205012262.db2.gz SGVQCTVVIAOQPX-VWLOTQADSA-N 0 1 390.527 5.117 50 0 GKAAMN c1ccc(OC2=CCN(CCCN(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039281600 205041283 /nfs/dbraw/zinc/04/12/83/205041283.db2.gz NDSSAGBYFWYICD-UHFFFAOYSA-N 0 1 384.523 5.883 50 0 GKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)N2CCCC2)c1C ZINC000038546883 205037551 /nfs/dbraw/zinc/03/75/51/205037551.db2.gz UTAMEGKHYGZRAE-LJQANCHMSA-N 0 1 397.569 5.259 50 0 GKAAMN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838211 205085829 /nfs/dbraw/zinc/08/58/29/205085829.db2.gz ZQGUZDLEQLHEQM-UHFFFAOYSA-N 0 1 381.357 5.501 50 0 GKAAMN Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)ccc1Cl ZINC000044837553 205087167 /nfs/dbraw/zinc/08/71/67/205087167.db2.gz VCPVMJCERQKXEB-UHFFFAOYSA-N 0 1 390.668 5.053 50 0 GKAAMN CSc1ccc(CN(Cc2ccc3cc(NC(C)=O)ccc3n2)C2CC2)cc1 ZINC000055327321 205147136 /nfs/dbraw/zinc/14/71/36/205147136.db2.gz XLBRNHSBIGEZFT-UHFFFAOYSA-N 0 1 391.540 5.080 50 0 GKAAMN COc1cc(CN[C@H](c2cccs2)c2ccc(F)cc2)ccc1OC(F)F ZINC000058014353 205162954 /nfs/dbraw/zinc/16/29/54/205162954.db2.gz JNVSQQMYMWJKSD-IBGZPJMESA-N 0 1 393.430 5.376 50 0 GKAAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1 ZINC000058163964 205166415 /nfs/dbraw/zinc/16/64/15/205166415.db2.gz WPOLOFLHBVULOI-INIZCTEOSA-N 0 1 394.902 5.055 50 0 GKAAMN Cc1ccc2nc([C@H](NCc3cnc(-c4cccc(C)c4)nc3)C(C)C)[nH]c2c1 ZINC000067678382 205254417 /nfs/dbraw/zinc/25/44/17/205254417.db2.gz GVKWRNPLLHEUSP-JOCHJYFZSA-N 0 1 385.515 5.124 50 0 GKAAMN O=C(N=c1[nH]c2ccccc2n1C1CCCCC1)c1ccccc1C(F)(F)F ZINC000084500278 205393652 /nfs/dbraw/zinc/39/36/52/205393652.db2.gz JBLOUJOGVUGYPZ-UHFFFAOYSA-N 0 1 387.405 5.235 50 0 GKAAMN O=c1ccc2ccc(O)c(C3=Nc4ccccc4S[C@H](c4ccccc4)C3)c2o1 ZINC000000688068 206316603 /nfs/dbraw/zinc/31/66/03/206316603.db2.gz OZAPMFWNGGEYTR-NRFANRHFSA-N 0 1 399.471 5.857 50 0 GKAAMN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CCCC2)c1C ZINC000000935765 206334644 /nfs/dbraw/zinc/33/46/44/206334644.db2.gz DHJOFSFWEMRHAS-FQEVSTJZSA-N 0 1 398.503 5.535 50 0 GKAAMN CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000001047202 206345606 /nfs/dbraw/zinc/34/56/06/206345606.db2.gz LOEHUPBQFNEDIB-UHFFFAOYSA-N 0 1 385.920 5.398 50 0 GKAAMN COc1ccc([C@@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000001437228 206382229 /nfs/dbraw/zinc/38/22/29/206382229.db2.gz RPYYTQQMXUZNJS-DEOSSOPVSA-N 0 1 384.479 5.396 50 0 GKAAMN CCc1cc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(F)cc2)c(O)cc1OC ZINC000001162375 206362698 /nfs/dbraw/zinc/36/26/98/206362698.db2.gz PANJJXALZCJKFQ-UHFFFAOYSA-N 0 1 380.341 5.178 50 0 GKAAMN COc1cccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000001177839 206364356 /nfs/dbraw/zinc/36/43/56/206364356.db2.gz JZPDNXRVGAOZBS-JOCHJYFZSA-N 0 1 392.405 5.057 50 0 GKAAMN Cc1cc(C(C)(C)C)ccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000001874444 206392578 /nfs/dbraw/zinc/39/25/78/206392578.db2.gz SWJYICSUYMLLKX-UHFFFAOYSA-N 0 1 384.479 6.401 50 0 GKAAMN CC(C)n1c(CN2CCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000086048533 211178609 /nfs/dbraw/zinc/17/86/09/211178609.db2.gz WDHHLKZGVLQROO-UHFFFAOYSA-N 0 1 396.922 5.119 50 0 GKAAMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000078714188 211149785 /nfs/dbraw/zinc/14/97/85/211149785.db2.gz CJUOCLDYUCOARO-JXFKEZNVSA-N 0 1 394.515 5.120 50 0 GKAAMN CC(C)c1cc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000071524111 211050019 /nfs/dbraw/zinc/05/00/19/211050019.db2.gz DOLZPNLMWVSWDW-HNNXBMFYSA-N 0 1 393.453 5.037 50 0 GKAAMN COc1ccc2oc(=O)cc(CN(Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000020353098 207188388 /nfs/dbraw/zinc/18/83/88/207188388.db2.gz MSGOCLLXQCMITE-UHFFFAOYSA-N 0 1 385.463 5.004 50 0 GKAAMN CCOc1ccc2oc(=O)cc(CN(Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000020446886 207193177 /nfs/dbraw/zinc/19/31/77/207193177.db2.gz RTPZYFKPIZWKFJ-UHFFFAOYSA-N 0 1 399.490 5.394 50 0 GKAAMN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000022672918 207260177 /nfs/dbraw/zinc/26/01/77/207260177.db2.gz CEKRTOHHCRSKBR-UHFFFAOYSA-N 0 1 381.907 5.659 50 0 GKAAMN CCOc1cccc(-c2cccc(-c3nc(CN4CCC(C)CC4)cs3)c2)c1 ZINC000023326166 207273280 /nfs/dbraw/zinc/27/32/80/207273280.db2.gz LCKQRRRACQHCMM-UHFFFAOYSA-N 0 1 392.568 6.108 50 0 GKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)[nH]n2)c1 ZINC000023432434 207277839 /nfs/dbraw/zinc/27/78/39/207277839.db2.gz UFKRXDVYZDXVSA-KRWDZBQOSA-N 0 1 397.478 5.243 50 0 GKAAMN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023433462 207278305 /nfs/dbraw/zinc/27/83/05/207278305.db2.gz QNGMMOGJSUCTAK-QHCPKHFHSA-N 0 1 393.490 5.551 50 0 GKAAMN CC(C)[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000024922629 207297170 /nfs/dbraw/zinc/29/71/70/207297170.db2.gz RSCRNRNMTARWOF-NRFANRHFSA-N 0 1 389.524 5.139 50 0 GKAAMN COc1ccc2cc(CNCc3ccccc3OCc3ccccn3)ccc2c1 ZINC000025312263 207302750 /nfs/dbraw/zinc/30/27/50/207302750.db2.gz MSLHKXLOYLQFAB-UHFFFAOYSA-N 0 1 384.479 5.112 50 0 GKAAMN COc1ccc(-c2n[nH]c(SCc3coc(-c4ccc(C)cc4C)n3)n2)cc1 ZINC000040057324 207336989 /nfs/dbraw/zinc/33/69/89/207336989.db2.gz BZIUWBSLDXZOHM-UHFFFAOYSA-N 0 1 392.484 5.044 50 0 GKAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000028287602 207339400 /nfs/dbraw/zinc/33/94/00/207339400.db2.gz VKEVZOGERICKCH-SFHVURJKSA-N 0 1 382.529 5.068 50 0 GKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000028287798 207339591 /nfs/dbraw/zinc/33/95/91/207339591.db2.gz GKTLHMHNEFVDME-MRXNPFEDSA-N 0 1 388.920 5.023 50 0 GKAAMN C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925553 207351135 /nfs/dbraw/zinc/35/11/35/207351135.db2.gz HCOMTPYTVODMFE-HNNXBMFYSA-N 0 1 378.447 5.285 50 0 GKAAMN FC(F)(F)c1ccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)cc1 ZINC000085659761 208102632 /nfs/dbraw/zinc/10/26/32/208102632.db2.gz ZLSGGJCTVFZARL-UHFFFAOYSA-N 0 1 390.752 5.466 50 0 GKAAMN COc1ccccc1-c1cc(CSc2nc(Cc3ccccc3)c(C)[nH]2)on1 ZINC000026237028 210494467 /nfs/dbraw/zinc/49/44/67/210494467.db2.gz HGFHCHBTSJHFOS-UHFFFAOYSA-N 0 1 391.496 5.265 50 0 GKAAMN Cc1ccc(-c2nc(CSc3nc(C=Cc4ccc(F)cc4)n[nH]3)co2)cc1 ZINC000096993610 208332672 /nfs/dbraw/zinc/33/26/72/208332672.db2.gz XROCMPMFVDHHEX-WDZFZDKYSA-N 0 1 392.459 5.370 50 0 GKAAMN COc1ccccc1OCCCn1c2ccccc2nc1[C@H](C)N1CCCCC1 ZINC000021783109 210393818 /nfs/dbraw/zinc/39/38/18/210393818.db2.gz WRVDWKNVWYTDIQ-IBGZPJMESA-N 0 1 393.531 5.061 50 0 GKAAMN Fc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1F ZINC000020598349 210350859 /nfs/dbraw/zinc/35/08/59/210350859.db2.gz CZPDLHATWPOPCA-CQSZACIVSA-N 0 1 389.396 5.013 50 0 GKAAMN CCCCCC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020447585 210333260 /nfs/dbraw/zinc/33/32/60/210333260.db2.gz USSCYZYKABYKAR-DQEYMECFSA-N 0 1 399.550 5.100 50 0 GKAAMN Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)s1 ZINC000019836869 210301421 /nfs/dbraw/zinc/30/14/21/210301421.db2.gz MSDMSECZCXWOFN-OAQYLSRUSA-N 0 1 376.525 5.213 50 0 GKAAMN Clc1ccc(Cl)c(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)c1 ZINC000007524502 221000230 /nfs/dbraw/zinc/00/02/30/221000230.db2.gz IDKGNNVMESZALX-UHFFFAOYSA-N 0 1 376.239 5.272 50 0 GKAAMN Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2ccccc2OC(F)F)c1C ZINC000011762994 221124431 /nfs/dbraw/zinc/12/44/31/221124431.db2.gz MOUYMAXEHYVANZ-LJQANCHMSA-N 0 1 397.469 5.258 50 0 GKAAMN COc1cc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)ccc1F ZINC000012051799 221144282 /nfs/dbraw/zinc/14/42/82/221144282.db2.gz YYGXZVAGHFCSCM-UHFFFAOYSA-N 0 1 380.463 5.210 50 0 GKAAMN Cc1nn(C(C)C)c(C)c1CN[C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000012298291 221175972 /nfs/dbraw/zinc/17/59/72/221175972.db2.gz QBZWQGIJWWMWKF-QHCPKHFHSA-N 0 1 391.563 5.051 50 0 GKAAMN Cc1c([C@@H](C)NCc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(F)c1 ZINC000012570431 221208720 /nfs/dbraw/zinc/20/87/20/221208720.db2.gz ZZKPBWLSPKGOAU-CYBMUJFWSA-N 0 1 377.385 5.189 50 0 GKAAMN Fc1ccc(-n2cc(CNCc3ccco3)c(-c3ccccc3Cl)n2)cc1 ZINC000012593996 221213629 /nfs/dbraw/zinc/21/36/29/221213629.db2.gz WAIQXLPGNXQMSM-UHFFFAOYSA-N 0 1 381.838 5.215 50 0 GKAAMN Cc1c([C@H](C)NCc2ccc(Cl)c(F)c2)cnn1-c1ccc(F)cc1F ZINC000012748027 221223513 /nfs/dbraw/zinc/22/35/13/221223513.db2.gz HHXFQRGUPMBEHS-NSHDSACASA-N 0 1 379.813 5.102 50 0 GKAAMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000012810594 221234557 /nfs/dbraw/zinc/23/45/57/221234557.db2.gz HIHAZBDOOVQUIU-GHMZBOCLSA-N 0 1 388.792 5.176 50 0 GKAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012856812 221238650 /nfs/dbraw/zinc/23/86/50/221238650.db2.gz QDQVYMCVPNDTTF-JOCHJYFZSA-N 0 1 380.532 5.176 50 0 GKAAMN CCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000013597167 221277225 /nfs/dbraw/zinc/27/72/25/221277225.db2.gz JNMBOTCAWAEZQM-DJJZHVJBSA-N 0 1 378.343 5.936 50 0 GKAAMN FC(F)(F)[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000015443840 221336691 /nfs/dbraw/zinc/33/66/91/221336691.db2.gz CAJDEKFKGHLHPF-IBGZPJMESA-N 0 1 385.433 5.314 50 0 GKAAMN CC[C@@H](C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1 ZINC000015863856 221349940 /nfs/dbraw/zinc/34/99/40/221349940.db2.gz ODXYNGMQFXSKDI-OAQYLSRUSA-N 0 1 383.495 5.480 50 0 GKAAMN Cc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 ZINC000015862319 221350082 /nfs/dbraw/zinc/35/00/82/221350082.db2.gz XCYABYSKFDHVBM-UHFFFAOYSA-N 0 1 396.534 5.656 50 0 GKAAMN Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000017794265 221385284 /nfs/dbraw/zinc/38/52/84/221385284.db2.gz CYDZCSHQCALWAZ-OAQYLSRUSA-N 0 1 390.458 5.066 50 0 GKAAMN CN1CCN(c2ccc3c(c2)SCc2ccccc2[C@@H]3c2ccccc2)CC1 ZINC000004115695 136193734 /nfs/dbraw/zinc/19/37/34/136193734.db2.gz BVXCCSFQDANQEN-VWLOTQADSA-N 0 1 386.564 5.224 50 0 GKAAMN Cc1cc(Br)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412665 222031330 /nfs/dbraw/zinc/03/13/30/222031330.db2.gz CZZQSSKZSKRDHQ-UHFFFAOYSA-N 0 1 390.668 5.053 50 0 GKAAMN Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)ccc1Br ZINC000057412366 222031482 /nfs/dbraw/zinc/03/14/82/222031482.db2.gz QLXSQMWFSQRBHN-UHFFFAOYSA-N 0 1 390.668 5.053 50 0 GKAAMN CCN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)Cc1ccncc1 ZINC000055118808 222015647 /nfs/dbraw/zinc/01/56/47/222015647.db2.gz DWLIYOLWIXGRBG-UHFFFAOYSA-N 0 1 398.510 5.297 50 0 GKAAMN CCc1ccc(-c2nc3ccccn3c2CNCc2ccccc2Cl)cc1 ZINC000063666737 222068143 /nfs/dbraw/zinc/06/81/43/222068143.db2.gz LVNUHSSUPCSPGN-UHFFFAOYSA-N 0 1 375.903 5.507 50 0 GKAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000096183717 222397215 /nfs/dbraw/zinc/39/72/15/222397215.db2.gz ZMAFSSRCWXFGEV-RUZDIDTESA-N 0 1 399.538 5.243 50 0 GKAAMN Cc1ccc(NC2=NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1C ZINC000005812900 525270142 /nfs/dbraw/zinc/27/01/42/525270142.db2.gz RKUBUGVKPXQMSK-HNNXBMFYSA-N 0 1 379.312 5.263 50 0 GKAAMN 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CN(C)[C@@H](CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccs1 ZINC000032970918 570555406 /nfs/dbraw/zinc/55/54/06/570555406.db2.gz JASVISNSBPMERP-PZJWPPBQSA-N 0 1 396.581 5.001 50 0 GKAAMN O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000003347137 570605644 /nfs/dbraw/zinc/60/56/44/570605644.db2.gz CRJYJIXCTQOXKJ-UHFFFAOYSA-N 0 1 393.892 5.431 50 0 GKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000034796549 570615320 /nfs/dbraw/zinc/61/53/20/570615320.db2.gz OTSWWXFCJWHISQ-UHFFFAOYSA-N 0 1 387.270 5.905 50 0 GKAAMN COc1ccc(CN2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c(OC)c1 ZINC000036348129 570630921 /nfs/dbraw/zinc/63/09/21/570630921.db2.gz CIKUZHALCDIHGG-RUZDIDTESA-N 0 1 390.527 5.117 50 0 GKAAMN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(C)cc2C)cc1OC ZINC000036348468 570631406 /nfs/dbraw/zinc/63/14/06/570631406.db2.gz SGVQCTVVIAOQPX-RUZDIDTESA-N 0 1 390.527 5.117 50 0 GKAAMN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CN1CCC[C@@H]1c1ccccn1 ZINC000012298615 570634953 /nfs/dbraw/zinc/63/49/53/570634953.db2.gz CIBGXFGQENQASQ-XMMPIXPASA-N 0 1 380.495 5.476 50 0 GKAAMN Cc1ccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000843903 570647187 /nfs/dbraw/zinc/64/71/87/570647187.db2.gz AEWDKJYGXMAEPM-JOCHJYFZSA-N 0 1 376.406 5.357 50 0 GKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(C(C)C)cc3)n2)c1O ZINC000005573728 570656631 /nfs/dbraw/zinc/65/66/31/570656631.db2.gz UOBTXNCIINSXOF-UHFFFAOYSA-N 0 1 386.451 5.927 50 0 GKAAMN Cc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)[nH]1 ZINC000005588536 570663761 /nfs/dbraw/zinc/66/37/61/570663761.db2.gz QKNGCERYCGIXLE-UHFFFAOYSA-N 0 1 378.397 6.738 50 0 GKAAMN COc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000005783409 570672334 /nfs/dbraw/zinc/67/23/34/570672334.db2.gz UNHOGMNFQWEKNF-HXUWFJFHSA-N 0 1 393.464 5.020 50 0 biogenic GKAAMN COc1ccccc1[C@@H]1CC(c2c(O)cc(C)oc2=O)=Nc2ccccc2S1 ZINC000005783422 570672374 /nfs/dbraw/zinc/67/23/74/570672374.db2.gz FGEQECFKZHTSEY-FQEVSTJZSA-N 0 1 393.464 5.020 50 0 biogenic GKAAMN O=C(CNCc1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000055111482 570683557 /nfs/dbraw/zinc/68/35/57/570683557.db2.gz SYFJSJZFNCQBDL-UHFFFAOYSA-N 0 1 380.900 5.259 50 0 biogenic GKAAMN CCCCOc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000058158994 570712272 /nfs/dbraw/zinc/71/22/72/570712272.db2.gz OPPFXKUAZMNWQX-UHFFFAOYSA-N 0 1 385.467 5.925 50 0 GKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)N2CCCCC2)c1C ZINC000000950062 570735998 /nfs/dbraw/zinc/73/59/98/570735998.db2.gz ICAJLZPIBIXQJA-HXUWFJFHSA-N 0 1 395.528 5.181 50 0 GKAAMN C[C@H]1CCCN([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013039155 570743310 /nfs/dbraw/zinc/74/33/10/570743310.db2.gz XLHQGNYHSBLDPS-IFXJQAMLSA-N 0 1 377.315 5.405 50 0 GKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)o1 ZINC000013122483 570747421 /nfs/dbraw/zinc/74/74/21/570747421.db2.gz GLGGDGYWFOUPEA-LJQANCHMSA-N 0 1 381.428 5.151 50 0 GKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cc(C)cc(C)c3C)n2)c1O ZINC000013123108 570747439 /nfs/dbraw/zinc/74/74/39/570747439.db2.gz QFTHAZBJVFVFEZ-UHFFFAOYSA-N 0 1 386.451 5.729 50 0 GKAAMN O=C(Nc1ccccc1Br)c1cc(Cl)c2ccccc2c1O ZINC000003151921 570753542 /nfs/dbraw/zinc/75/35/42/570753542.db2.gz NFLVGVSMXIZRNX-UHFFFAOYSA-N 0 1 376.637 5.214 50 0 GKAAMN COC(=O)C(C(=Nc1ccc(C)cc1)SCc1ccccc1)C(F)(F)F ZINC000013713682 570778345 /nfs/dbraw/zinc/77/83/45/570778345.db2.gz BHFHGEDMDAJEIN-MSUUIHNZSA-N 0 1 381.419 5.287 50 0 GKAAMN COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1Cl ZINC000013759361 570786114 /nfs/dbraw/zinc/78/61/14/570786114.db2.gz BUZOOTVRWDNERF-UEVCKROQSA-N 0 1 385.935 5.217 50 0 GKAAMN Cc1ccc(-c2n[nH]c(SCc3csc(-c4ccc(F)cc4)n3)n2)cc1 ZINC000005868800 570799519 /nfs/dbraw/zinc/79/95/19/570799519.db2.gz BLTQYGBWWUBYHW-UHFFFAOYSA-N 0 1 382.489 5.335 50 0 GKAAMN COc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000018206675 570810242 /nfs/dbraw/zinc/81/02/42/570810242.db2.gz UNHOGMNFQWEKNF-FQEVSTJZSA-N 0 1 393.464 5.020 50 0 biogenic GKAAMN CC(C)c1ccc(O[P@@](=O)(Nc2ccccn2)Oc2ccccc2F)cc1 ZINC000005690150 570811337 /nfs/dbraw/zinc/81/13/37/570811337.db2.gz JDWPDKUFCFECHA-MHZLTWQESA-N 0 1 386.363 6.022 50 0 GKAAMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1 ZINC000005691382 570812761 /nfs/dbraw/zinc/81/27/61/570812761.db2.gz LLMWUGSJSZJTGY-HNNXBMFYSA-N 0 1 383.517 5.006 50 0 GKAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C)c3nc4ccccc4n3C(F)F)n2)cc1 ZINC000036811472 570816328 /nfs/dbraw/zinc/81/63/28/570816328.db2.gz PUNVCUTUKZCWAV-LBPRGKRZSA-N 0 1 399.470 5.632 50 0 GKAAMN CCOc1ccccc1CNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C ZINC000004678525 570824589 /nfs/dbraw/zinc/82/45/89/570824589.db2.gz SWPJZUNDOMALKD-UHFFFAOYSA-N 0 1 383.495 5.765 50 0 GKAAMN CCOc1ccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000004678765 570824921 /nfs/dbraw/zinc/82/49/21/570824921.db2.gz GAISNZVHOOBHLA-UHFFFAOYSA-N 0 1 375.394 5.117 50 0 GKAAMN Cc1ccc(-c2cnc(NCc3c(F)cccc3Br)n2C)cc1C ZINC000004678936 570825444 /nfs/dbraw/zinc/82/54/44/570825444.db2.gz HTGVPJXYKGHGEY-UHFFFAOYSA-N 0 1 388.284 5.218 50 0 GKAAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1sccc1C ZINC000102694848 570857336 /nfs/dbraw/zinc/85/73/36/570857336.db2.gz CDNVPUDUPYANEC-NRFANRHFSA-N 0 1 394.540 6.259 50 0 GKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000004554096 570880612 /nfs/dbraw/zinc/88/06/12/570880612.db2.gz WRANDMQMQYKIMO-FQEVSTJZSA-N 0 1 377.513 5.097 50 0 GKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc42)N3)C1 ZINC000004554058 570880629 /nfs/dbraw/zinc/88/06/29/570880629.db2.gz PBWSVEWLPPFWDO-HXUWFJFHSA-N 0 1 377.513 5.097 50 0 GKAAMN CCc1ccc(-c2n[nH]c(SCc3ccc(F)cc3Br)n2)cc1 ZINC000032879940 570883437 /nfs/dbraw/zinc/88/34/37/570883437.db2.gz UUIGZRZIPCJJRD-UHFFFAOYSA-N 0 1 392.297 5.228 50 0 GKAAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 ZINC000104112899 570895740 /nfs/dbraw/zinc/89/57/40/570895740.db2.gz OMGXJJPSEWLSSE-HSZRJFAPSA-N 0 1 390.483 5.508 50 0 GKAAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000104150243 570896606 /nfs/dbraw/zinc/89/66/06/570896606.db2.gz RSAIJUQHHLPKPG-AVRWGWEMSA-N 0 1 398.462 5.850 50 0 GKAAMN CN1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000105972886 570934112 /nfs/dbraw/zinc/93/41/12/570934112.db2.gz GTJXVFHOQFLCHN-SGPUPTDZSA-N 0 1 379.507 5.249 50 0 GKAAMN COc1ccc2nc(Sc3c(=O)[nH]c4ccccc4c3-c3ccccc3)[nH]c2c1 ZINC000018106459 570950547 /nfs/dbraw/zinc/95/05/47/570950547.db2.gz LMUJKBVUWHXJBK-UHFFFAOYSA-N 0 1 399.475 5.231 50 0 GKAAMN O=C(Nc1ccc(F)cc1)[C@H](Sc1nc(C2CCCC2)n[nH]1)c1ccccc1 ZINC000012103801 570958978 /nfs/dbraw/zinc/95/89/78/570958978.db2.gz FLVBOWPOILPQLM-GOSISDBHSA-N 0 1 396.491 5.074 50 0 GKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)s2)sc1C ZINC000033290060 570960754 /nfs/dbraw/zinc/96/07/54/570960754.db2.gz BHXRTWSVDKVWHE-UHFFFAOYSA-N 0 1 392.571 5.215 50 0 GKAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c(C)s2)n1 ZINC000033289970 570960901 /nfs/dbraw/zinc/96/09/01/570960901.db2.gz KDCWDWXGVYTWBV-UHFFFAOYSA-N 0 1 398.962 5.251 50 0 GKAAMN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000033290158 570961322 /nfs/dbraw/zinc/96/13/22/570961322.db2.gz SUTUHTWYLSRGSX-UHFFFAOYSA-N 0 1 392.571 5.413 50 0 GKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C)C(c1ccccc1)=N2 ZINC000012699652 570965352 /nfs/dbraw/zinc/96/53/52/570965352.db2.gz UAUYNOHWCKZLJM-QHCPKHFHSA-N 0 1 378.479 5.294 50 0 GKAAMN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838161 570979085 /nfs/dbraw/zinc/97/90/85/570979085.db2.gz ZXUDWOBYJPLUON-UHFFFAOYSA-N 0 1 382.250 5.789 50 0 GKAAMN Fc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1F ZINC000019635614 571022299 /nfs/dbraw/zinc/02/22/99/571022299.db2.gz IJCIJYGWMXGSKW-AWEZNQCLSA-N 0 1 389.396 5.013 50 0 GKAAMN Fc1cc(F)cc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000084572957 571023644 /nfs/dbraw/zinc/02/36/44/571023644.db2.gz QSQATRMWSYNKIH-UHFFFAOYSA-N 0 1 381.451 5.169 50 0 GKAAMN Fc1cccc2c1SCC[C@@H]2NCc1c(OC(F)F)ccc2ccccc21 ZINC000084595048 571025716 /nfs/dbraw/zinc/02/57/16/571025716.db2.gz PYOYBDNJLXBFDA-SFHVURJKSA-N 0 1 389.442 5.907 50 0 GKAAMN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037560491 571031612 /nfs/dbraw/zinc/03/16/12/571031612.db2.gz KYYQKAHGUIZEJU-UHFFFAOYSA-N 0 1 386.486 5.071 50 0 GKAAMN CCc1c(C)sc2c1CCN(Cc1ccc(Cl)cc1)[C@@H]2c1ccccc1 ZINC000015864891 210176521 /nfs/dbraw/zinc/17/65/21/210176521.db2.gz CDESZZGHFNFNOX-JOCHJYFZSA-N 0 1 381.972 6.420 50 0 GKAAMN Cc1ccc2nc(CCc3cccc(NC(=O)c4cccc(Cl)c4)c3)[nH]c2c1 ZINC000015863570 210175407 /nfs/dbraw/zinc/17/54/07/210175407.db2.gz SFLSRYYDODMKGI-UHFFFAOYSA-N 0 1 389.886 5.562 50 0 GKAAMN Clc1cccc(-c2nc(-c3cccc4ccccc43)[nH]c2-c2ccccc2)c1 ZINC000013284554 210057248 /nfs/dbraw/zinc/05/72/48/210057248.db2.gz ZVFUGURRGOKXKT-UHFFFAOYSA-N 0 1 380.878 7.217 50 0 GKAAMN Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2ccccc2OC(F)F)c1C ZINC000011763002 209883983 /nfs/dbraw/zinc/88/39/83/209883983.db2.gz MOUYMAXEHYVANZ-IBGZPJMESA-N 0 1 397.469 5.258 50 0 GKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3)n2)c1O ZINC000002395284 209361114 /nfs/dbraw/zinc/36/11/14/209361114.db2.gz JMILNMLSEIJOED-UHFFFAOYSA-N 0 1 378.815 5.457 50 0 GKAAMN COc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c(OC)c1C ZINC000002348153 209358220 /nfs/dbraw/zinc/35/82/20/209358220.db2.gz NIEXCQKNWNYJJB-UHFFFAOYSA-N 0 1 376.481 5.798 50 0 GKAAMN Cc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000002274604 209353380 /nfs/dbraw/zinc/35/33/80/209353380.db2.gz LYOUTEWWYWUNPV-UHFFFAOYSA-N 0 1 389.296 6.482 50 0 GKAAMN Cc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)cc1 ZINC000002185872 209349110 /nfs/dbraw/zinc/34/91/10/209349110.db2.gz STOJFKSFNNLXMX-UHFFFAOYSA-N 0 1 386.498 7.386 50 0 GKAAMN COc1ccc(C(C)=O)cc1CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000001040753 212208615 /nfs/dbraw/zinc/20/86/15/212208615.db2.gz GUQXGAXWJOUDOF-UHFFFAOYSA-N 0 1 380.391 5.085 50 0 GKAAMN CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000251611515 212058663 /nfs/dbraw/zinc/05/86/63/212058663.db2.gz LAORYDCCCIFVJH-IAISJRAMSA-N 0 1 395.450 5.063 50 0 GKAAMN COc1cccc(C[N@H+](Cc2cccn2Cc2ccc(C)cc2)CC(C)C)c1 ZINC000004422289 204044605 /nfs/dbraw/zinc/04/46/05/204044605.db2.gz AFDWVGOUIRFQPH-UHFFFAOYSA-N 0 1 376.544 5.512 50 0 GKAAMN Cc1[nH]c(SCc2cc(=O)oc3c(C)c(C)ccc23)nc1Cc1ccccc1 ZINC000004492528 204047399 /nfs/dbraw/zinc/04/73/99/204047399.db2.gz POHJUFDRCRRXMC-UHFFFAOYSA-N 0 1 390.508 5.324 50 0 GKAAMN COCCn1c(-c2ccccc2)cnc1NCc1cccc(Cl)c1Cl ZINC000004679211 204063259 /nfs/dbraw/zinc/06/32/59/204063259.db2.gz WSWQKLYTNKZZMH-UHFFFAOYSA-N 0 1 376.287 5.115 50 0 GKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(Cl)cc1 ZINC000004678530 204063427 /nfs/dbraw/zinc/06/34/27/204063427.db2.gz MCISQOQCIOSWBC-UHFFFAOYSA-N 0 1 376.685 5.115 50 0 GKAAMN Cc1[nH]c(SCC(=O)Nc2cccc3ccccc32)nc1Cc1ccccc1 ZINC000005312558 204124994 /nfs/dbraw/zinc/12/49/94/204124994.db2.gz KAYDRJNIIRQGQP-UHFFFAOYSA-N 0 1 387.508 5.193 50 0 GKAAMN c1ccc(-c2[nH]c(-c3ccc4ccccc4c3)nc2-c2cccc3ccccc32)cc1 ZINC000005807414 204152735 /nfs/dbraw/zinc/15/27/35/204152735.db2.gz UXEJQMGSPNUXLO-UHFFFAOYSA-N 0 1 396.493 7.717 50 0 GKAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(F)cc3F)cc(O)c12 ZINC000006139820 204166553 /nfs/dbraw/zinc/16/65/53/204166553.db2.gz OFJVOJUVNTXSNN-UHFFFAOYSA-N 0 1 380.346 5.023 50 0 biogenic GKAAMN O=c1cc(OCc2ccc(F)cc2F)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000006139820 204166558 /nfs/dbraw/zinc/16/65/58/204166558.db2.gz OFJVOJUVNTXSNN-UHFFFAOYSA-N 0 1 380.346 5.023 50 0 biogenic GKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000009942405 204327562 /nfs/dbraw/zinc/32/75/62/204327562.db2.gz AAFVWZZJVPWLKO-UHFFFAOYSA-N 0 1 396.579 5.341 50 0 GKAAMN Cc1ccc(CNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)o1 ZINC000011933605 204361744 /nfs/dbraw/zinc/36/17/44/204361744.db2.gz XFXHNDIAKMXXRW-UHFFFAOYSA-N 0 1 393.437 5.317 50 0 GKAAMN Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C1CCCCC1)C2 ZINC000012218725 204384560 /nfs/dbraw/zinc/38/45/60/204384560.db2.gz RVSYMQKELYDSAZ-UHFFFAOYSA-N 0 1 380.513 5.196 50 0 GKAAMN Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)o1 ZINC000071782815 205029482 /nfs/dbraw/zinc/02/94/82/205029482.db2.gz FVCSRDLZRPYOMX-HXUWFJFHSA-N 0 1 388.467 5.455 50 0 GKAAMN Cc1cc([C@@H](c2cccc(F)c2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545876 205037413 /nfs/dbraw/zinc/03/74/13/205037413.db2.gz SWEGLEAOAAUZEG-HXUWFJFHSA-N 0 1 398.503 5.616 50 0 GKAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1Cl ZINC000040478302 205067806 /nfs/dbraw/zinc/06/78/06/205067806.db2.gz AAWHLILORNTGFJ-UHFFFAOYSA-N 0 1 390.668 5.053 50 0 GKAAMN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(C)cc1C)NC2 ZINC000055214601 205144742 /nfs/dbraw/zinc/14/47/42/205144742.db2.gz QAFQNDBKFLYMCF-XMMPIXPASA-N 0 1 376.500 5.084 50 0 GKAAMN COc1cc(-c2ccc(C)cc2)cc2c1OCCN(Cc1ccc(C)s1)C2 ZINC000055342476 205147899 /nfs/dbraw/zinc/14/78/99/205147899.db2.gz CZWZDOVHTMOQIB-UHFFFAOYSA-N 0 1 379.525 5.435 50 0 GKAAMN Cc1ccc([C@@H](C(=O)NC2CCCC2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000058012602 205162607 /nfs/dbraw/zinc/16/26/07/205162607.db2.gz YMGNMILANIBKAG-VWLOTQADSA-N 0 1 390.571 5.050 50 0 GKAAMN Cc1ccc(-c2csc(N3[NH2+]C4=C(CCCCC4)[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000005274848 209122337 /nfs/dbraw/zinc/12/23/37/209122337.db2.gz CEXAMOATLBLXFT-RDTXWAMCSA-N 0 1 395.450 5.126 50 0 GKAAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C)c(Cl)c2)on1 ZINC000064845460 205197686 /nfs/dbraw/zinc/19/76/86/205197686.db2.gz LVWAEGYXYRHVDK-UHFFFAOYSA-N 0 1 396.921 5.091 50 0 GKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C)cc2C)c1C ZINC000064845792 205198237 /nfs/dbraw/zinc/19/82/37/205198237.db2.gz OWFLTQLWCGINGT-UHFFFAOYSA-N 0 1 390.530 5.054 50 0 GKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(C)c2C)c1C ZINC000064845724 205198287 /nfs/dbraw/zinc/19/82/87/205198287.db2.gz YLWYAXRJJZNYMF-UHFFFAOYSA-N 0 1 390.530 5.054 50 0 GKAAMN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2CCCC ZINC000065322369 205230616 /nfs/dbraw/zinc/23/06/16/205230616.db2.gz BZRORBDEUPFJQQ-UHFFFAOYSA-N 0 1 384.568 5.197 50 0 GKAAMN CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000065322322 205230952 /nfs/dbraw/zinc/23/09/52/205230952.db2.gz FZUDEVOFXCVIFQ-UHFFFAOYSA-N 0 1 396.560 5.163 50 0 GKAAMN Cc1ccc(-c2nc(CN3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)s1 ZINC000067855776 205263620 /nfs/dbraw/zinc/26/36/20/205263620.db2.gz PKODVQFPDXXFOH-INIZCTEOSA-N 0 1 393.512 5.541 50 0 GKAAMN Cc1c([C@@H](C)NCc2ccc3nsnc3c2)cnn1-c1cccc2ccccc21 ZINC000055089949 206210650 /nfs/dbraw/zinc/21/06/50/206210650.db2.gz USCLMIRYKSBDHV-OAHLLOKOSA-N 0 1 399.523 5.189 50 0 GKAAMN COc1cccc(CNc2ccc3c(c2)nc(C)n3Cc2ccccc2)c1OC ZINC000000862240 206329101 /nfs/dbraw/zinc/32/91/01/206329101.db2.gz UXEISFZYALQVNJ-UHFFFAOYSA-N 0 1 387.483 5.022 50 0 GKAAMN CC1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)CC1 ZINC000000985229 206338918 /nfs/dbraw/zinc/33/89/18/206338918.db2.gz JXLFFAAQUYVVSV-AREMUKBSSA-N 0 1 390.571 5.240 50 0 GKAAMN 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ZINC000020166520 207181862 /nfs/dbraw/zinc/18/18/62/207181862.db2.gz FXHQJZNHNXASDA-AWEZNQCLSA-N 0 1 389.396 5.013 50 0 GKAAMN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000022673768 207259452 /nfs/dbraw/zinc/25/94/52/207259452.db2.gz RBUNJJGNBVIXMP-UHFFFAOYSA-N 0 1 377.488 5.015 50 0 GKAAMN O=C(NCCCCc1ccccc1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023331210 207273086 /nfs/dbraw/zinc/27/30/86/207273086.db2.gz RBWLLGUFXUIBKM-UHFFFAOYSA-N 0 1 395.506 5.496 50 0 GKAAMN CCOc1cccc(-c2cccc(-c3nc(CN4CCCCC4)cs3)c2)c1 ZINC000023320163 207273158 /nfs/dbraw/zinc/27/31/58/207273158.db2.gz SANVQEKVSNHMEN-UHFFFAOYSA-N 0 1 378.541 5.862 50 0 GKAAMN O=C(NCc1ccccc1Cl)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023335796 207275626 /nfs/dbraw/zinc/27/56/26/207275626.db2.gz HPSNSKKUZAWBCW-UHFFFAOYSA-N 0 1 387.870 5.327 50 0 GKAAMN O=C(C[C@H]1C=CCC1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000023360028 207275652 /nfs/dbraw/zinc/27/56/52/207275652.db2.gz BQBLJTBKTZTOMX-XOBRGWDASA-N 0 1 399.416 5.144 50 0 GKAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000028287610 207340047 /nfs/dbraw/zinc/34/00/47/207340047.db2.gz LTXZDERRMHHVPB-QFIPXVFZSA-N 0 1 390.527 5.315 50 0 GKAAMN Fc1ccc(C=Cc2n[nH]c(SCc3cc(-c4cccs4)on3)n2)cc1 ZINC000096942230 208330968 /nfs/dbraw/zinc/33/09/68/208330968.db2.gz LGJKKTRXAICCCZ-YVMONPNESA-N 0 1 384.461 5.123 50 0 GKAAMN Cc1ccc(-c2nc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)o1 ZINC000020322975 210327075 /nfs/dbraw/zinc/32/70/75/210327075.db2.gz SIJGEGZKNPAUNG-MRXNPFEDSA-N 0 1 377.444 5.072 50 0 GKAAMN CCCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020441041 210334061 /nfs/dbraw/zinc/33/40/61/210334061.db2.gz VVRNWCBRDVBEKY-UIOOFZCWSA-N 0 1 395.587 5.133 50 0 GKAAMN Clc1cc(Cl)cc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)c1 ZINC000007524731 221000332 /nfs/dbraw/zinc/00/03/32/221000332.db2.gz OPJCPTLGBYDTAQ-UHFFFAOYSA-N 0 1 376.239 5.272 50 0 GKAAMN Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000008038060 221024964 /nfs/dbraw/zinc/02/49/64/221024964.db2.gz VSTVIPOZCPTYBY-MRXNPFEDSA-N 0 1 388.920 5.023 50 0 GKAAMN C[C@@H](NCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000008535313 221043961 /nfs/dbraw/zinc/04/39/61/221043961.db2.gz YUJDMVRHMMRISA-MRXNPFEDSA-N 0 1 386.322 6.423 50 0 GKAAMN Cc1ccc(C)c(-n2cc(CNCc3cccc(C)n3)c(-c3ccccc3)n2)c1 ZINC000011821752 221129172 /nfs/dbraw/zinc/12/91/72/221129172.db2.gz PGWCRVRIWAKILR-UHFFFAOYSA-N 0 1 382.511 5.149 50 0 GKAAMN CC(=O)c1cccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c1 ZINC000011840242 221130621 /nfs/dbraw/zinc/13/06/21/221130621.db2.gz WISSCKMNMDHFDU-KRWDZBQOSA-N 0 1 383.495 5.387 50 0 GKAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011934264 221138142 /nfs/dbraw/zinc/13/81/42/221138142.db2.gz NBGOVIVPRQQPBO-SFHVURJKSA-N 0 1 387.955 5.138 50 0 GKAAMN CSc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3C)C2)cc1 ZINC000011912237 221136132 /nfs/dbraw/zinc/13/61/32/221136132.db2.gz UTQYQNWIBIWJSH-SFHVURJKSA-N 0 1 391.540 5.127 50 0 GKAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012299251 221176011 /nfs/dbraw/zinc/17/60/11/221176011.db2.gz QHQJFZBAAPVSJX-OAQYLSRUSA-N 0 1 389.543 5.329 50 0 GKAAMN c1csc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000012185737 221164010 /nfs/dbraw/zinc/16/40/10/221164010.db2.gz PZGGVQZFKNEXNR-GOSISDBHSA-N 0 1 382.485 5.249 50 0 GKAAMN CC(C)(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000012785573 221231405 /nfs/dbraw/zinc/23/14/05/221231405.db2.gz GVTSTRJTLRUYQH-SFHVURJKSA-N 0 1 389.421 5.224 50 0 GKAAMN COc1cc(-c2cccnc2)cc2c1OCCN(C/C(C)=C/c1ccccc1)C2 ZINC000014880172 221317041 /nfs/dbraw/zinc/31/70/41/221317041.db2.gz CDADRYALVDPDQZ-CPNJWEJPSA-N 0 1 386.495 5.055 50 0 GKAAMN Cc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1 ZINC000015862320 221349794 /nfs/dbraw/zinc/34/97/94/221349794.db2.gz RPTRNNBUCZVKMA-UHFFFAOYSA-N 0 1 396.534 5.656 50 0 GKAAMN Clc1ccc(COc2ccccc2CNCc2cccs2)c(Cl)c1 ZINC000016449788 221363604 /nfs/dbraw/zinc/36/36/04/221363604.db2.gz UKQROQLSTQTGSR-UHFFFAOYSA-N 0 1 378.324 5.924 50 0 GKAAMN CSc1ccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)cc1 ZINC000016667720 221367846 /nfs/dbraw/zinc/36/78/46/221367846.db2.gz LMZJCYAFQLWTAO-UHFFFAOYSA-N 0 1 392.527 7.286 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000017139121 221379914 /nfs/dbraw/zinc/37/99/14/221379914.db2.gz VOWFXPLWGSIPCJ-UHFFFAOYSA-N 0 1 381.357 5.765 50 0 GKAAMN O=C(Nc1cccc(CNCc2cccc(Cl)c2)c1)c1ccccc1Cl ZINC000017310533 221383353 /nfs/dbraw/zinc/38/33/53/221383353.db2.gz HGYHCOUSMNTKIP-UHFFFAOYSA-N 0 1 385.294 5.536 50 0 GKAAMN Cc1scc(CN2CCN(c3ccccc3F)CC2)c1-c1ccc(C)cc1 ZINC000057992742 136154252 /nfs/dbraw/zinc/15/42/52/136154252.db2.gz WJLGIURJNOXENI-UHFFFAOYSA-N 0 1 380.532 5.493 50 0 GKAAMN CC(C)c1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)cc1 ZINC000057510932 222035061 /nfs/dbraw/zinc/03/50/61/222035061.db2.gz VTAWZVJPQSRQSX-UHFFFAOYSA-N 0 1 398.388 5.936 50 0 GKAAMN CCc1ccc2c(CN(C)Cc3ccc(C(F)(F)F)cc3)cc(=O)oc2c1 ZINC000058342862 222049319 /nfs/dbraw/zinc/04/93/19/222049319.db2.gz NCMWXFUNBCACJX-UHFFFAOYSA-N 0 1 375.390 5.006 50 0 GKAAMN Cc1cc2oc(=O)cc(CN(Cc3ccccc3)Cc3ccccc3)c2cc1C ZINC000058448495 222053713 /nfs/dbraw/zinc/05/37/13/222053713.db2.gz LLVQAMBAQPGUDA-UHFFFAOYSA-N 0 1 383.491 5.612 50 0 GKAAMN CC(=O)c1cc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)n(C)c1 ZINC000071681356 222188437 /nfs/dbraw/zinc/18/84/37/222188437.db2.gz UMUHCQIZFLPQLS-QGZVFWFLSA-N 0 1 392.465 5.091 50 0 GKAAMN FC(F)c1nc2ccccc2c(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000079061734 222302517 /nfs/dbraw/zinc/30/25/17/222302517.db2.gz YAQQCQDEZMZJQK-MRXNPFEDSA-N 0 1 399.832 5.439 50 0 GKAAMN CCN(CC)[C@H](C(=O)Nc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1 ZINC000084771146 222321651 /nfs/dbraw/zinc/32/16/51/222321651.db2.gz RSQFCCPMEUASPS-SFHVURJKSA-N 0 1 382.401 5.175 50 0 GKAAMN CCSc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000096180011 222394558 /nfs/dbraw/zinc/39/45/58/222394558.db2.gz 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/nfs/dbraw/zinc/87/42/09/570874209.db2.gz DITIHUCFGROQBL-QFIPXVFZSA-N 0 1 391.490 5.017 50 0 GKAAMN CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 ZINC000023153865 570919986 /nfs/dbraw/zinc/91/99/86/570919986.db2.gz GHGZDIYNNPJPRP-UHFFFAOYSA-N 0 1 399.585 5.386 50 0 GKAAMN FC(F)(F)[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000015443838 570947885 /nfs/dbraw/zinc/94/78/85/570947885.db2.gz CAJDEKFKGHLHPF-LJQANCHMSA-N 0 1 385.433 5.314 50 0 GKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(C)s2)sc1C ZINC000033290023 570960682 /nfs/dbraw/zinc/96/06/82/570960682.db2.gz LJPJQAHXWBVNKJ-UHFFFAOYSA-N 0 1 398.962 5.251 50 0 GKAAMN Clc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000004749415 570961493 /nfs/dbraw/zinc/96/14/93/570961493.db2.gz KKAHPNLGZXOUJF-UHFFFAOYSA-N 0 1 379.729 5.179 50 0 GKAAMN CSc1ccccc1NS(=O)(=O)c1cc(-c2csc(C)n2)sc1C ZINC000033308427 570968100 /nfs/dbraw/zinc/96/81/00/570968100.db2.gz LZIKXAJNHYTCII-UHFFFAOYSA-N 0 1 396.584 5.011 50 0 GKAAMN 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ZINC000095510099 571081764 /nfs/dbraw/zinc/08/17/64/571081764.db2.gz QROLEBPZAKPKPG-VWLOTQADSA-N 0 1 395.506 5.438 50 0 GKAAMN Cc1ccc(C)c(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]2)c1 ZINC000018194335 210216770 /nfs/dbraw/zinc/21/67/70/210216770.db2.gz JMSPZGBQTOAVDM-UHFFFAOYSA-N 0 1 392.424 7.046 50 0 GKAAMN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000017312205 210209634 /nfs/dbraw/zinc/20/96/34/210209634.db2.gz LNMXISDFVKLOHW-OAHLLOKOSA-N 0 1 382.866 5.582 50 0 GKAAMN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000016607188 210193047 /nfs/dbraw/zinc/19/30/47/210193047.db2.gz KCRGZEOUAQSFBS-UHFFFAOYSA-N 0 1 384.951 5.316 50 0 GKAAMN Cc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000015862321 210176487 /nfs/dbraw/zinc/17/64/87/210176487.db2.gz SSXBDJTYPKLFEV-UHFFFAOYSA-N 0 1 386.470 5.178 50 0 GKAAMN Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCC(C)CC2)o1 ZINC000015860273 210174868 /nfs/dbraw/zinc/17/48/68/210174868.db2.gz TWJUHPITDVPCLU-NRFANRHFSA-N 0 1 382.548 5.089 50 0 GKAAMN CCCN(Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C)C[C@H]1CCCO1 ZINC000014968596 210135447 /nfs/dbraw/zinc/13/54/47/210135447.db2.gz LKBPHJZYTPCTPL-QGZVFWFLSA-N 0 1 382.426 5.060 50 0 GKAAMN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(CC1CC1)C[C@H]1CCCO1 ZINC000014953561 210134115 /nfs/dbraw/zinc/13/41/15/210134115.db2.gz XGOKGAMYHJFVJL-GOSISDBHSA-N 0 1 394.437 5.060 50 0 GKAAMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000014256405 210113791 /nfs/dbraw/zinc/11/37/91/210113791.db2.gz SJGVXTIDSXNQFE-OAHLLOKOSA-N 0 1 375.534 5.307 50 0 GKAAMN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CCCCCC4)cc3)sc2c1 ZINC000013041660 210050097 /nfs/dbraw/zinc/05/00/97/210050097.db2.gz OEHSLRMGTRHWON-QGZVFWFLSA-N 0 1 393.556 5.475 50 0 GKAAMN CC1CCN([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000013038598 210047729 /nfs/dbraw/zinc/04/77/29/210047729.db2.gz MIPLHFMRSKBZPA-IBGZPJMESA-N 0 1 377.315 5.405 50 0 GKAAMN CC1CCN([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000013038597 210047311 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CC(C)c1nc2ccc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)cc2[nH]1 ZINC000263587507 212140991 /nfs/dbraw/zinc/14/09/91/212140991.db2.gz HOXWWVDWHLIJSP-IBGZPJMESA-N 0 1 378.501 5.168 50 0 GKAAMN CC[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000005274987 212065605 /nfs/dbraw/zinc/06/56/05/212065605.db2.gz LAORYDCCCIFVJH-RVZJWNSFSA-N 0 1 395.450 5.063 50 0 GKAAMN CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000002578111 203948964 /nfs/dbraw/zinc/94/89/64/203948964.db2.gz ZEMZPXWZVTUONV-UHFFFAOYSA-N 0 1 393.555 7.192 50 0 GKAAMN COc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc2c1OCO2 ZINC000004870570 204084589 /nfs/dbraw/zinc/08/45/89/204084589.db2.gz HWMZWZRCBMMZLN-UHFFFAOYSA-N 0 1 388.398 5.287 50 0 GKAAMN COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccccc1Cl ZINC000005163630 204116930 /nfs/dbraw/zinc/11/69/30/204116930.db2.gz BUZOOTVRWDNERF-PTUXOGIPSA-N 0 1 385.935 5.217 50 0 GKAAMN COc1cc(OC)cc(-c2n[nH]c(SCc3ccc(Cl)cc3Cl)n2)c1 ZINC000006603391 204185896 /nfs/dbraw/zinc/18/58/96/204185896.db2.gz UISABKUQTDHPDS-UHFFFAOYSA-N 0 1 396.299 5.088 50 0 GKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000006753006 204200746 /nfs/dbraw/zinc/20/07/46/204200746.db2.gz PEMGRQTUVXIFFQ-QHCPKHFHSA-N 0 1 389.499 5.251 50 0 GKAAMN Cn1c2ccccc2nc1-c1c(-c2ccccc2Cl)n[nH]c1-c1ccccc1 ZINC000006909103 204222742 /nfs/dbraw/zinc/22/27/42/204222742.db2.gz LRWFAMLAJXIRSG-UHFFFAOYSA-N 0 1 384.870 5.951 50 0 GKAAMN C[C@H](NCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000008534241 204279805 /nfs/dbraw/zinc/27/98/05/204279805.db2.gz YUJDMVRHMMRISA-INIZCTEOSA-N 0 1 386.322 6.423 50 0 GKAAMN Cc1ccc2nc(S[C@@H](C(=O)NC3CCCCC3)c3ccccc3)[nH]c2c1 ZINC000008813334 204291405 /nfs/dbraw/zinc/29/14/05/204291405.db2.gz OJEKAPRBAZNOQF-HXUWFJFHSA-N 0 1 379.529 5.154 50 0 GKAAMN CSc1ccccc1NC(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000009946702 204327140 /nfs/dbraw/zinc/32/71/40/204327140.db2.gz HUMJZJFQEIWXBM-OAHLLOKOSA-N 0 1 397.569 5.150 50 0 GKAAMN COc1cccc([C@H]2c3cccn3CCCN2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348333 205013074 /nfs/dbraw/zinc/01/30/74/205013074.db2.gz WXIMNESFIMTSHK-VWLOTQADSA-N 0 1 388.555 5.790 50 0 GKAAMN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000037560317 205029549 /nfs/dbraw/zinc/02/95/49/205029549.db2.gz HQSUZWRWGNHARH-UHFFFAOYSA-N 0 1 386.486 5.009 50 0 GKAAMN Cc1cc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545874 205037955 /nfs/dbraw/zinc/03/79/55/205037955.db2.gz RWOMRPPBPKYRNA-HXUWFJFHSA-N 0 1 398.503 5.616 50 0 GKAAMN CN1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000051330315 205134083 /nfs/dbraw/zinc/13/40/83/205134083.db2.gz GTJXVFHOQFLCHN-AMUBCXMBSA-N 0 1 379.507 5.249 50 0 GKAAMN COc1cc(CN[C@@H](c2cccs2)c2ccc(F)cc2)ccc1OC(F)F ZINC000058014354 205162360 /nfs/dbraw/zinc/16/23/60/205162360.db2.gz JNVSQQMYMWJKSD-LJQANCHMSA-N 0 1 393.430 5.376 50 0 GKAAMN C[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000058160735 205166056 /nfs/dbraw/zinc/16/60/56/205166056.db2.gz YBHANQIEPGEPQM-SECBINFHSA-N 0 1 375.658 5.075 50 0 GKAAMN CCCCCCc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000058159010 205166199 /nfs/dbraw/zinc/16/61/99/205166199.db2.gz NOYSIUZQGUNVFF-UHFFFAOYSA-N 0 1 397.522 6.869 50 0 GKAAMN Cc1ccc(-c2csc(N3[NH2+]C4=C(CCCCC4)[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000005274849 209122842 /nfs/dbraw/zinc/12/28/42/209122842.db2.gz CEXAMOATLBLXFT-KDOFPFPSSA-N 0 1 395.450 5.126 50 0 GKAAMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@H]1CCCc2ccccc21 ZINC000061003490 205182168 /nfs/dbraw/zinc/18/21/68/205182168.db2.gz NIBKUHGOBZDWMB-NRFANRHFSA-N 0 1 383.898 5.200 50 0 GKAAMN CC(C)c1cc(C(=O)N2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)n[nH]1 ZINC000071524109 205286295 /nfs/dbraw/zinc/28/62/95/205286295.db2.gz DOLZPNLMWVSWDW-OAHLLOKOSA-N 0 1 393.453 5.037 50 0 GKAAMN Cc1ccc(-n2cc(CN3CCC(F)(F)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000072419868 205346695 /nfs/dbraw/zinc/34/66/95/205346695.db2.gz UJMJRHGKUOWVRT-UHFFFAOYSA-N 0 1 381.470 5.387 50 0 GKAAMN C[C@@H](c1ccccn1)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000072411256 205347087 /nfs/dbraw/zinc/34/70/87/205347087.db2.gz ZQKRPJYHBQMKJM-IBGZPJMESA-N 0 1 398.510 5.467 50 0 GKAAMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)[O-] ZINC000299760437 206186428 /nfs/dbraw/zinc/18/64/28/206186428.db2.gz HQVVOUBRPSEWJA-INIZCTEOSA-N 0 1 381.497 5.072 50 0 GKAAMN COc1ccc2cc(CNCc3ccccc3Cl)c(-c3ccsc3)nc2c1 ZINC000299789998 206191954 /nfs/dbraw/zinc/19/19/54/206191954.db2.gz AGAZCGJVYHJIBM-UHFFFAOYSA-N 0 1 394.927 5.915 50 0 GKAAMN Cc1ccc(-c2csc(N3[NH2+]C4=C(CCCCC4)[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000005274851 206215885 /nfs/dbraw/zinc/21/58/85/206215885.db2.gz CEXAMOATLBLXFT-KSSFIOAISA-N 0 1 395.450 5.126 50 0 GKAAMN Clc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(N3CCCC3)ON2c2ccccc2)cc1 ZINC000017194225 206257944 /nfs/dbraw/zinc/25/79/44/206257944.db2.gz VTHPIPJKAPTIFC-YTFSRNRJSA-N 0 1 382.935 5.815 50 0 GKAAMN CCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245326152 206281471 /nfs/dbraw/zinc/28/14/71/206281471.db2.gz JNMBOTCAWAEZQM-OOBDGNPPSA-N 0 1 378.343 5.936 50 0 GKAAMN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccccc1Cl ZINC000004084121 206293923 /nfs/dbraw/zinc/29/39/23/206293923.db2.gz CGAXGIVILAYNDK-HUVFLSCGSA-N 0 1 399.962 5.607 50 0 GKAAMN Cc1ccc2c(=O)c(CN(Cc3ccccc3)Cc3ccccc3)c(C)[nH]c2c1C ZINC000008714062 206294423 /nfs/dbraw/zinc/29/44/23/206294423.db2.gz OFTKBKQNTBZJOS-UHFFFAOYSA-N 0 1 396.534 6.068 50 0 GKAAMN O=c1c2c(-c3ccc(Cl)cc3)csc2[nH]c(=S)n1Cc1ccccc1 ZINC000000723936 206319762 /nfs/dbraw/zinc/31/97/62/206319762.db2.gz ILKYRSSTSHMXTC-UHFFFAOYSA-N 0 1 384.913 5.489 50 0 GKAAMN Cc1cc(Oc2ccc(C(F)(F)F)cc2NS(C)(=O)=O)cc(C)c1Cl ZINC000001036289 206345062 /nfs/dbraw/zinc/34/50/62/206345062.db2.gz SRULVQOVZCAERZ-UHFFFAOYSA-N 0 1 393.814 5.139 50 0 GKAAMN COc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)N1CCCCCC1 ZINC000082086983 211159635 /nfs/dbraw/zinc/15/96/35/211159635.db2.gz NCKZCDKSTWKOLW-LJQANCHMSA-N 0 1 393.531 5.061 50 0 GKAAMN Oc1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000008744159 206763417 /nfs/dbraw/zinc/76/34/17/206763417.db2.gz BPXCZMRQWJBOHC-UHFFFAOYSA-N 0 1 391.268 5.879 50 0 GKAAMN Cc1ccc2nc([C@@H](NCc3cnc(-c4cccc(C)c4)nc3)C(C)C)[nH]c2c1 ZINC000067678383 211014728 /nfs/dbraw/zinc/01/47/28/211014728.db2.gz GVKWRNPLLHEUSP-QFIPXVFZSA-N 0 1 385.515 5.124 50 0 GKAAMN Cc1oc(-c2ccccc2Cl)nc1CN1CCC(OCc2ccccc2)CC1 ZINC000012299260 206879018 /nfs/dbraw/zinc/87/90/18/206879018.db2.gz PXDHPKUOVGPVRC-UHFFFAOYSA-N 0 1 396.918 5.485 50 0 GKAAMN COc1ccc(-c2nc(CN3CCC(c4ccccc4)CC3)c(C)o2)c(OC)c1 ZINC000014949994 207032345 /nfs/dbraw/zinc/03/23/45/207032345.db2.gz NVRSQYQHZWQAER-UHFFFAOYSA-N 0 1 392.499 5.047 50 0 GKAAMN Clc1ccccc1CNCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000017310504 207087638 /nfs/dbraw/zinc/08/76/38/207087638.db2.gz UIERGTUCCBJCJX-UHFFFAOYSA-N 0 1 393.943 5.603 50 0 GKAAMN Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC000020271731 207185905 /nfs/dbraw/zinc/18/59/05/207185905.db2.gz MMLJEVDZXPTNKX-SFHVURJKSA-N 0 1 381.907 5.124 50 0 GKAAMN Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC000020271731 207185911 /nfs/dbraw/zinc/18/59/11/207185911.db2.gz MMLJEVDZXPTNKX-SFHVURJKSA-N 0 1 381.907 5.124 50 0 GKAAMN c1ccc(C(c2ccccc2)N2CCN(C3=Nc4ccccc4CS3)CC2)cc1 ZINC000020365801 207190188 /nfs/dbraw/zinc/19/01/88/207190188.db2.gz QACUCHFWWHMICG-UHFFFAOYSA-N 0 1 399.563 5.328 50 0 GKAAMN Cc1ccccc1CN1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020481999 207196466 /nfs/dbraw/zinc/19/64/66/207196466.db2.gz IBGBEJNBYOCNGS-LJQANCHMSA-N 0 1 377.513 5.041 50 0 GKAAMN CCCCCC[C@@](O)(c1ccc(C)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020868539 207216247 /nfs/dbraw/zinc/21/62/47/207216247.db2.gz JYGDYZIQXYQTMZ-IZZNHLLZSA-N 0 1 395.587 5.269 50 0 GKAAMN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023335561 207275702 /nfs/dbraw/zinc/27/57/02/207275702.db2.gz LQBXIVPSLRRVER-UHFFFAOYSA-N 0 1 387.870 5.327 50 0 GKAAMN c1nc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)oc1-c1ccccc1 ZINC000023989915 207284525 /nfs/dbraw/zinc/28/45/25/207284525.db2.gz VBLROHOMQQDVHJ-QGZVFWFLSA-N 0 1 375.497 5.331 50 0 GKAAMN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)C1 ZINC000023439998 207277928 /nfs/dbraw/zinc/27/79/28/207277928.db2.gz OUCADHMRPMFWCA-SFHVURJKSA-N 0 1 395.506 5.769 50 0 GKAAMN O=C(c1ccc2sccc2c1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000091769234 208136744 /nfs/dbraw/zinc/13/67/44/208136744.db2.gz HRKHKNLJSQTFQE-KRWDZBQOSA-N 0 1 381.888 5.408 50 0 GKAAMN COc1ccc(CC(=O)Nc2cc(-c3nc4ccc(C)cc4[nH]3)ccc2C)cc1 ZINC000096319751 208307002 /nfs/dbraw/zinc/30/70/02/208307002.db2.gz LTTGCTWDQGCJAN-UHFFFAOYSA-N 0 1 385.467 5.037 50 0 GKAAMN CC[C@H](C(=O)Nc1cc(-c2c(C)c3ccccc3n2CC)n[nH]1)c1ccccc1 ZINC000096398622 208314454 /nfs/dbraw/zinc/31/44/54/208314454.db2.gz SPRXOCJYHKZXGL-SFHVURJKSA-N 0 1 386.499 5.492 50 0 GKAAMN CCc1n[nH]c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000096281957 208301794 /nfs/dbraw/zinc/30/17/94/208301794.db2.gz XXRCLUZAGLQLEM-UHFFFAOYSA-N 0 1 395.331 5.188 50 0 GKAAMN CCOc1ccc(C(=O)Nc2cc(-c3c(C)c4ccccc4n3CC)n[nH]2)cc1 ZINC000096400272 208316947 /nfs/dbraw/zinc/31/69/47/208316947.db2.gz GDHCGGYOIATJKF-UHFFFAOYSA-N 0 1 388.471 5.011 50 0 GKAAMN CC[C@H](NCc1cnc(SC)nc1N(C)C1CCCCC1)c1ccccc1 ZINC000022625827 210418429 /nfs/dbraw/zinc/41/84/29/210418429.db2.gz FBXLUPAIUQQUNH-FQEVSTJZSA-N 0 1 384.593 5.208 50 0 GKAAMN O=[P@]([O-])(CCc1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000020567138 210348759 /nfs/dbraw/zinc/34/87/59/210348759.db2.gz CFXIGCDFXFTROA-QFIPXVFZSA-N 0 1 399.858 5.642 50 0 GKAAMN COc1ccc(OC)c(-c2nc(CN3CCC(c4ccccc4)CC3)c(C)o2)c1 ZINC000019842383 210301917 /nfs/dbraw/zinc/30/19/17/210301917.db2.gz QAOFEHZCVFEQRY-UHFFFAOYSA-N 0 1 392.499 5.047 50 0 GKAAMN Cc1sc(NC(=O)c2ccccc2)c(CN2CCc3ccccc3C2)c1C ZINC000019880171 210304612 /nfs/dbraw/zinc/30/46/12/210304612.db2.gz XLBLMFRZEKEWLD-UHFFFAOYSA-N 0 1 376.525 5.176 50 0 GKAAMN Cc1cccc(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000019594557 210274509 /nfs/dbraw/zinc/27/45/09/210274509.db2.gz OCJYIGYOJCODJL-VWLOTQADSA-N 0 1 390.958 5.556 50 0 aggregator,fda GKAAMN CC(C)(C)[C@H]1CCCC2=C1N=C1N=CNN1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000007699119 221007187 /nfs/dbraw/zinc/00/71/87/221007187.db2.gz NDHLSTZBSUTFHE-JTHBVZDNSA-N 0 1 384.527 5.713 50 0 GKAAMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000008157234 221029768 /nfs/dbraw/zinc/02/97/68/221029768.db2.gz WGMALLKJBIJOMG-JKSUJKDBSA-N 0 1 394.544 5.413 50 0 GKAAMN CCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000008973203 221066941 /nfs/dbraw/zinc/06/69/41/221066941.db2.gz PAGZJSRTIGWDAU-UHFFFAOYSA-N 0 1 382.769 5.520 50 0 GKAAMN CSc1ccc(-c2nc(CN3CCC(c4ccncc4)CC3)c(C)o2)cc1 ZINC000011667980 221120432 /nfs/dbraw/zinc/12/04/32/221120432.db2.gz VHZDVUVRLZMBJL-UHFFFAOYSA-N 0 1 379.529 5.147 50 0 GKAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCCC[C@@H]1CCO ZINC000012074939 221147880 /nfs/dbraw/zinc/14/78/80/221147880.db2.gz LWHQXRFFXIAGDE-HXUWFJFHSA-N 0 1 392.499 5.179 50 0 GKAAMN Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C[C@@H]1CC=CCC1)C2 ZINC000012209445 221167686 /nfs/dbraw/zinc/16/76/86/221167686.db2.gz KXGOHKLMTDUCGL-MRXNPFEDSA-N 0 1 392.524 5.220 50 0 GKAAMN COc1cc(C)c(-c2nc(CN(CC3CCC3)C[C@H]3CCCO3)c(C)o2)cc1C ZINC000012443264 221195395 /nfs/dbraw/zinc/19/53/95/221195395.db2.gz SZQCXHMQSHLBGG-HXUWFJFHSA-N 0 1 398.547 5.057 50 0 GKAAMN C[C@H](NCC(=O)Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000012522806 221201304 /nfs/dbraw/zinc/20/13/04/221201304.db2.gz BUAJXYRJCCVLFM-FQEVSTJZSA-N 0 1 399.538 5.243 50 0 GKAAMN CC(C)(C)c1nc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2[nH]1 ZINC000012520040 221201663 /nfs/dbraw/zinc/20/16/63/221201663.db2.gz JOEMRTGUHPFVTO-UHFFFAOYSA-N 0 1 388.471 5.087 50 0 GKAAMN Cc1c([C@H](C)NCc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(F)c1 ZINC000012570437 221208012 /nfs/dbraw/zinc/20/80/12/221208012.db2.gz ZZKPBWLSPKGOAU-ZDUSSCGKSA-N 0 1 377.385 5.189 50 0 GKAAMN CCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)c1cccc2ccccc21 ZINC000012569749 221208499 /nfs/dbraw/zinc/20/84/99/221208499.db2.gz YMUYCTQQBNNCTO-UHFFFAOYSA-N 0 1 375.497 5.170 50 0 GKAAMN Cc1c([C@@H](C)NCc2ccccc2OC2CCCC2)cnn1-c1ccccc1 ZINC000012372923 221186711 /nfs/dbraw/zinc/18/67/11/221186711.db2.gz UVAPWNFLZJMHHI-GOSISDBHSA-N 0 1 375.516 5.353 50 0 GKAAMN Cc1c([C@H](C)NCc2cccc(OC3CCCC3)c2)cnn1-c1cccc(F)c1 ZINC000012709355 221219923 /nfs/dbraw/zinc/21/99/23/221219923.db2.gz BQVOHRUWRJGUIN-KRWDZBQOSA-N 0 1 393.506 5.492 50 0 GKAAMN Cc1ccc(-c2nc(CSc3nc(C=Cc4ccc(F)cc4)n[nH]3)co2)cc1 ZINC000012822601 221237394 /nfs/dbraw/zinc/23/73/94/221237394.db2.gz XROCMPMFVDHHEX-IZZDOVSWSA-N 0 1 392.459 5.370 50 0 GKAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012856808 221238474 /nfs/dbraw/zinc/23/84/74/221238474.db2.gz QDQVYMCVPNDTTF-QFIPXVFZSA-N 0 1 380.532 5.176 50 0 GKAAMN c1cncc(-c2nc3ccc(-c4ccc5[nH]c(-c6cccnc6)nc5c4)cc3[nH]2)c1 ZINC000012944725 221249368 /nfs/dbraw/zinc/24/93/68/221249368.db2.gz ZKQCRTVYUUZUAX-UHFFFAOYSA-N 0 1 388.434 5.230 50 0 GKAAMN c1cncc(-c2nc3ccc(-c4ccc5nc(-c6cccnc6)[nH]c5c4)cc3[nH]2)c1 ZINC000012944725 221249370 /nfs/dbraw/zinc/24/93/70/221249370.db2.gz ZKQCRTVYUUZUAX-UHFFFAOYSA-N 0 1 388.434 5.230 50 0 GKAAMN CC[C@H](C(=O)Nc1cccc(CCc2nc3ccc(C)cc3[nH]2)c1)c1ccccc1 ZINC000015863587 221349723 /nfs/dbraw/zinc/34/97/23/221349723.db2.gz ORTGDPCOKPNCMO-QFIPXVFZSA-N 0 1 397.522 5.789 50 0 GKAAMN CCc1c(C)sc2c1CCN(Cc1cccc(Cl)c1)[C@H]2c1ccccc1 ZINC000015864894 221350434 /nfs/dbraw/zinc/35/04/34/221350434.db2.gz XAOMAKOYSGFEKV-QFIPXVFZSA-N 0 1 381.972 6.420 50 0 GKAAMN Cc1ccc(C(=O)Nc2cccc(CN[C@H](C)c3ccccc3Cl)c2)cc1 ZINC000017314499 221383132 /nfs/dbraw/zinc/38/31/32/221383132.db2.gz PSZIFQHZYOEEFK-QGZVFWFLSA-N 0 1 378.903 5.752 50 0 GKAAMN Cc1cc([C@@H](c2cccnc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546246 221880749 /nfs/dbraw/zinc/88/07/49/221880749.db2.gz CZRYTPDFTPBMFT-HXUWFJFHSA-N 0 1 395.528 5.118 50 0 GKAAMN CCc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(OC)cc2OC)cc1 ZINC000036348069 221851530 /nfs/dbraw/zinc/85/15/30/221851530.db2.gz CEMQEHJBQCWLLS-RUZDIDTESA-N 0 1 390.527 5.063 50 0 GKAAMN Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]n2)cc1 ZINC000057477061 222033650 /nfs/dbraw/zinc/03/36/50/222033650.db2.gz WFLWSDAKEWZWBM-UHFFFAOYSA-N 0 1 379.769 5.310 50 0 GKAAMN Cc1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)c(C)c1 ZINC000057510961 222035165 /nfs/dbraw/zinc/03/51/65/222035165.db2.gz SBLKTLDXWMXLMS-UHFFFAOYSA-N 0 1 384.361 5.429 50 0 GKAAMN Cc1c(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)[nH]nc1-c1ccncc1 ZINC000048368543 221991070 /nfs/dbraw/zinc/99/10/70/221991070.db2.gz PZYBURRBZSHFII-UHFFFAOYSA-N 0 1 388.471 5.139 50 0 GKAAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC(c1ccccc1)c1ccccc1 ZINC000058163965 222042356 /nfs/dbraw/zinc/04/23/56/222042356.db2.gz WPOLOFLHBVULOI-MRXNPFEDSA-N 0 1 394.902 5.055 50 0 GKAAMN C[C@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000058160734 222042368 /nfs/dbraw/zinc/04/23/68/222042368.db2.gz YBHANQIEPGEPQM-VIFPVBQESA-N 0 1 375.658 5.075 50 0 GKAAMN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000058160575 222042420 /nfs/dbraw/zinc/04/24/20/222042420.db2.gz ITZAYPHZNAKFJA-IBGZPJMESA-N 0 1 380.491 5.546 50 0 GKAAMN CC(C)(C)[C@@H](NCc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000058429999 222052650 /nfs/dbraw/zinc/05/26/50/222052650.db2.gz FLYPZCHICKQBEE-KRWDZBQOSA-N 0 1 396.350 5.159 50 0 GKAAMN O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccc(Cl)cc1Cl ZINC000071279768 222178478 /nfs/dbraw/zinc/17/84/78/222178478.db2.gz RYPNSSVPFLQONW-UHFFFAOYSA-N 0 1 383.238 5.184 50 0 GKAAMN C[N@@H+](CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)[O-] ZINC000003996003 560193138 /nfs/dbraw/zinc/19/31/38/560193138.db2.gz FDORQEIHOKEJNX-HSZRJFAPSA-N 0 1 393.458 5.019 50 0 in-vitro GKAAMN C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000012810581 570225086 /nfs/dbraw/zinc/22/50/86/570225086.db2.gz HIHAZBDOOVQUIU-WDEREUQCSA-N 0 1 388.792 5.176 50 0 GKAAMN O=C(c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1)N1CCCCC1 ZINC000023318883 570262278 /nfs/dbraw/zinc/26/22/78/570262278.db2.gz IGACEPSRFSXQEO-UHFFFAOYSA-N 0 1 399.416 5.389 50 0 GKAAMN Cc1ccc(Nc2nc(CSc3nc(-c4ccccc4)n[nH]3)cs2)cc1 ZINC000006122258 570263322 /nfs/dbraw/zinc/26/33/22/570263322.db2.gz BAHBSQFLXKWMBZ-UHFFFAOYSA-N 0 1 379.514 5.273 50 0 GKAAMN CCOc1ccc2nc(SCC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)[nH]c2c1 ZINC000001467987 570263769 /nfs/dbraw/zinc/26/37/69/570263769.db2.gz GRSXKDRCOBANSZ-OGWOLHLISA-N 0 1 390.549 5.058 50 0 GKAAMN Cc1cc(C)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 ZINC000006160773 570278859 /nfs/dbraw/zinc/27/88/59/570278859.db2.gz YFICKOIEKOFJJF-UHFFFAOYSA-N 0 1 380.300 5.217 50 0 GKAAMN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000006178712 570282117 /nfs/dbraw/zinc/28/21/17/570282117.db2.gz PGMIUUAEEDRQFS-CABCVRRESA-N 0 1 380.517 5.105 50 0 GKAAMN Clc1ccc([C@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)cc1 ZINC000006178666 570282137 /nfs/dbraw/zinc/28/21/37/570282137.db2.gz OTQBDRKFBYNMLY-LJQANCHMSA-N 0 1 377.900 6.007 50 0 GKAAMN O=c1nc(-c2cccc(C(F)(F)F)c2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000014187771 570295355 /nfs/dbraw/zinc/29/53/55/570295355.db2.gz HTHJZKKMCOGDJJ-UHFFFAOYSA-N 0 1 390.361 5.477 50 0 GKAAMN Cc1cc(C)nc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1 ZINC000002727356 570296128 /nfs/dbraw/zinc/29/61/28/570296128.db2.gz VVEUIYFWBSVOCC-UHFFFAOYSA-N 0 1 389.565 5.264 50 0 GKAAMN CSc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000002869469 570313453 /nfs/dbraw/zinc/31/34/53/570313453.db2.gz SGNDTRHPAVCUGP-UHFFFAOYSA-N 0 1 387.551 5.361 50 0 GKAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)[nH]c2c1 ZINC000002939662 570319062 /nfs/dbraw/zinc/31/90/62/570319062.db2.gz JONKCNFAKIXDJJ-CMDGGOBGSA-N 0 1 399.519 5.773 50 0 GKAAMN O=C(NCc1cccc(Cl)c1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023335354 570321793 /nfs/dbraw/zinc/32/17/93/570321793.db2.gz ACVYPYRGPLGPTK-UHFFFAOYSA-N 0 1 387.870 5.327 50 0 GKAAMN O=C(NCc1cccs1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023430265 570323525 /nfs/dbraw/zinc/32/35/25/570323525.db2.gz WSSTUORKCZBBKI-UHFFFAOYSA-N 0 1 393.899 5.389 50 0 GKAAMN Clc1ccc(-c2cc(CSc3nc(C4CCCC4)n[nH]3)on2)c(Cl)c1 ZINC000022286875 570332558 /nfs/dbraw/zinc/33/25/58/570332558.db2.gz WVGOZQCXFJTTFS-UHFFFAOYSA-N 0 1 395.315 5.716 50 0 GKAAMN Clc1ccc(-c2cc(CSc3n[nH]c(C4CCCC4)n3)on2)c(Cl)c1 ZINC000022286875 570332561 /nfs/dbraw/zinc/33/25/61/570332561.db2.gz WVGOZQCXFJTTFS-UHFFFAOYSA-N 0 1 395.315 5.716 50 0 GKAAMN CC[C@@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1ccccc1 ZINC000034794345 570336947 /nfs/dbraw/zinc/33/69/47/570336947.db2.gz GMOVEESRPIGKAJ-GOSISDBHSA-N 0 1 379.891 5.740 50 0 GKAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1c(F)cccc1F ZINC000034794725 570337033 /nfs/dbraw/zinc/33/70/33/570337033.db2.gz GBPORUYSZPADMT-UHFFFAOYSA-N 0 1 375.806 5.213 50 0 GKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000034795541 570337317 /nfs/dbraw/zinc/33/73/17/570337317.db2.gz ZOWOZNSCGCRBOR-UHFFFAOYSA-N 0 1 377.410 5.492 50 0 GKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cccc(F)c2)cc1 ZINC000034795822 570337505 /nfs/dbraw/zinc/33/75/05/570337505.db2.gz QOGAVOOJUPOMAT-UHFFFAOYSA-N 0 1 377.463 5.643 50 0 GKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(F)cc2F)cc1 ZINC000034795838 570337514 /nfs/dbraw/zinc/33/75/14/570337514.db2.gz HCOWFUIJCDKWHT-UHFFFAOYSA-N 0 1 395.453 5.782 50 0 GKAAMN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000034796900 570338075 /nfs/dbraw/zinc/33/80/75/570338075.db2.gz HXTHWDQERILVDX-UHFFFAOYSA-N 0 1 398.249 5.896 50 0 GKAAMN C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035361570 570344770 /nfs/dbraw/zinc/34/47/70/570344770.db2.gz GSALKRWPFKYOEM-KGLIPLIRSA-N 0 1 396.541 5.348 50 0 GKAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000004855365 570349505 /nfs/dbraw/zinc/34/95/05/570349505.db2.gz NDELGYBXSMCBMY-UHFFFAOYSA-N 0 1 378.884 5.858 50 0 GKAAMN CCCCOc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000003668377 570350357 /nfs/dbraw/zinc/35/03/57/570350357.db2.gz AJCYMZYWQKQVMO-VWLOTQADSA-N 0 1 398.506 5.949 50 0 GKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000006256296 570350742 /nfs/dbraw/zinc/35/07/42/570350742.db2.gz OMGMONUGJNNFKV-INIZCTEOSA-N 0 1 396.343 5.250 50 0 GKAAMN CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476069 570365297 /nfs/dbraw/zinc/36/52/97/570365297.db2.gz AIEUOQPLKHWQRR-UHFFFAOYSA-N 0 1 396.579 5.368 50 0 GKAAMN c1nc(CN2CCC[C@H](c3nc4ccccc4s3)C2)oc1-c1ccccc1 ZINC000023989916 570376293 /nfs/dbraw/zinc/37/62/93/570376293.db2.gz VBLROHOMQQDVHJ-KRWDZBQOSA-N 0 1 375.497 5.331 50 0 GKAAMN Cc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1C ZINC000035504179 570378593 /nfs/dbraw/zinc/37/85/93/570378593.db2.gz IXDPMGPCOREELI-UHFFFAOYSA-N 0 1 395.260 5.173 50 0 GKAAMN Cc1cccc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c21 ZINC000004613837 570387616 /nfs/dbraw/zinc/38/76/16/570387616.db2.gz QAHDLIDLQPUSEH-UHFFFAOYSA-N 0 1 385.511 5.693 50 0 GKAAMN Clc1ccccc1COc1ccc2ccccc2c1CNCc1cccnc1 ZINC000004621975 570388420 /nfs/dbraw/zinc/38/84/20/570388420.db2.gz PBESAEXRQCKFKD-UHFFFAOYSA-N 0 1 388.898 5.757 50 0 GKAAMN CCOc1ccc2c(c1)sc(=S)n2CN1CCC(Cc2ccccc2)CC1 ZINC000024632992 570388507 /nfs/dbraw/zinc/38/85/07/570388507.db2.gz QQVIKSRYKMNKCS-UHFFFAOYSA-N 0 1 398.597 5.743 50 0 GKAAMN CC(C)[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000024922624 570398066 /nfs/dbraw/zinc/39/80/66/570398066.db2.gz RSCRNRNMTARWOF-OAQYLSRUSA-N 0 1 389.524 5.139 50 0 GKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c(C)s2)cs1 ZINC000033308403 570407159 /nfs/dbraw/zinc/40/71/59/570407159.db2.gz WDQFRLZCLJHFAP-UHFFFAOYSA-N 0 1 398.962 5.251 50 0 GKAAMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000004813044 570407669 /nfs/dbraw/zinc/40/76/69/570407669.db2.gz QWTCJAYOWJNLLF-UHFFFAOYSA-N 0 1 376.843 5.778 50 0 GKAAMN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000025414945 570413131 /nfs/dbraw/zinc/41/31/31/570413131.db2.gz MOILVZQKHZLEJV-DEOSSOPVSA-N 0 1 386.495 5.138 50 0 GKAAMN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc4ccccc4c2)[C@H]3CCC1 ZINC000005032485 570425252 /nfs/dbraw/zinc/42/52/52/570425252.db2.gz SBUWIXOOCSFQCW-SANMLTNESA-N 0 1 380.535 6.386 50 0 GKAAMN Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000072265278 570429707 /nfs/dbraw/zinc/42/97/07/570429707.db2.gz RRGYRDBVCMHVKI-RUZDIDTESA-N 0 1 399.538 5.243 50 0 GKAAMN CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(C)(C)C)cc3[nH]2)cc1 ZINC000005125848 570430082 /nfs/dbraw/zinc/43/00/82/570430082.db2.gz DOMVOPQXBIYHQT-UHFFFAOYSA-N 0 1 392.503 5.199 50 0 GKAAMN CC1CCN([C@@H](CNC(=O)c2occc2-c2ccccc2)c2cccs2)CC1 ZINC000027575815 570435958 /nfs/dbraw/zinc/43/59/58/570435958.db2.gz AMIVRJVKDNFNFD-FQEVSTJZSA-N 0 1 394.540 5.211 50 0 GKAAMN Cc1cc(Nc2ccc(OCc3ccccc3Cl)cc2)c2cccc(C)c2n1 ZINC000001904966 570441373 /nfs/dbraw/zinc/44/13/73/570441373.db2.gz WVURYVSBWQABMY-UHFFFAOYSA-N 0 1 388.898 6.828 50 0 GKAAMN C[C@H](c1n[nH]c(=S)n1-c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005720733 570453043 /nfs/dbraw/zinc/45/30/43/570453043.db2.gz ILDUWYMUVCLNOM-VIFPVBQESA-N 0 1 384.814 5.149 50 0 GKAAMN C[C@@H](c1n[nH]c(=S)n1-c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005721079 570453086 /nfs/dbraw/zinc/45/30/86/570453086.db2.gz ILDUWYMUVCLNOM-SECBINFHSA-N 0 1 384.814 5.149 50 0 GKAAMN Cc1ccc(C)c2c(=O)c(CN(Cc3ccccc3)Cc3ccccc3)c(C)[nH]c12 ZINC000054219860 570456126 /nfs/dbraw/zinc/45/61/26/570456126.db2.gz SLGGTQZBIWFLMU-UHFFFAOYSA-N 0 1 396.534 5.656 50 0 GKAAMN Clc1ccccc1CNCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028427971 570459624 /nfs/dbraw/zinc/45/96/24/570459624.db2.gz ZZNCAGYURBGXSZ-UHFFFAOYSA-N 0 1 395.333 6.286 50 0 GKAAMN Cc1ccccc1CN(Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035841041 570463187 /nfs/dbraw/zinc/46/31/87/570463187.db2.gz BGJHAFGMEWFNTM-UHFFFAOYSA-N 0 1 398.525 6.186 50 0 GKAAMN COc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1OCc1cccnc1 ZINC000030545633 570490855 /nfs/dbraw/zinc/49/08/55/570490855.db2.gz DTESKIKVQXTSBT-KRWDZBQOSA-N 0 1 388.467 5.266 50 0 GKAAMN CCCCc1nc2ccccc2c(NC(=O)CN2CCCCCC2)c1CCC ZINC000003075074 570502410 /nfs/dbraw/zinc/50/24/10/570502410.db2.gz UDFYKUDRJLBSRE-UHFFFAOYSA-N 0 1 381.564 5.344 50 0 GKAAMN COc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000007523752 570507115 /nfs/dbraw/zinc/50/71/15/570507115.db2.gz LYMAXRSYTYZBPM-UHFFFAOYSA-N 0 1 392.282 5.464 50 0 GKAAMN COc1ccc(CN2CCCCC[C@H]2c2ccc(Cl)cc2)c(OC)c1OC ZINC000033087127 570519684 /nfs/dbraw/zinc/51/96/84/570519684.db2.gz HRERUZFXZLCRMU-IBGZPJMESA-N 0 1 389.923 5.483 50 0 GKAAMN C[C@@H](CC(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1cccc(Cl)c1 ZINC000034097809 570531071 /nfs/dbraw/zinc/53/10/71/570531071.db2.gz MRQZOINSVKHDQS-LBPRGKRZSA-N 0 1 396.903 5.472 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccccc2Br)n1 ZINC000005278197 570548305 /nfs/dbraw/zinc/54/83/05/570548305.db2.gz MGUNEWQCRJLENL-UHFFFAOYSA-N 0 1 393.240 5.557 50 0 GKAAMN CN(C)[C@@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccs1 ZINC000032970916 570555453 /nfs/dbraw/zinc/55/54/53/570555453.db2.gz JASVISNSBPMERP-FPOVZHCZSA-N 0 1 396.581 5.001 50 0 GKAAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 ZINC000005357097 570560392 /nfs/dbraw/zinc/56/03/92/570560392.db2.gz RNHJMXFIRRHTNQ-INIZCTEOSA-N 0 1 387.508 5.658 50 0 GKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2c(C)cccc2C)c1C ZINC000064845727 570565481 /nfs/dbraw/zinc/56/54/81/570565481.db2.gz XFNFCGYSVQVBBS-UHFFFAOYSA-N 0 1 390.530 5.054 50 0 GKAAMN Clc1ccc(Cn2cc(CNCc3ccco3)c3ccccc32)c(Cl)c1 ZINC000010315656 570568533 /nfs/dbraw/zinc/56/85/33/570568533.db2.gz GIWBFLVSLARVJP-UHFFFAOYSA-N 0 1 385.294 5.879 50 0 GKAAMN CCCC(O)(CCC)c1ccc(CN(Cc2ccccc2C)C[C@H]2CCCO2)o1 ZINC000036203224 570568567 /nfs/dbraw/zinc/56/85/67/570568567.db2.gz KFKINKIBUOZBCC-JOCHJYFZSA-N 0 1 399.575 5.557 50 0 GKAAMN COc1cccc([C@H]2CCCN2Cc2nc(-c3ccc(OC)c(C)c3)oc2C)c1 ZINC000011753647 570581044 /nfs/dbraw/zinc/58/10/44/570581044.db2.gz NBPIAADRCYJRJA-JOCHJYFZSA-N 0 1 392.499 5.313 50 0 GKAAMN Cc1nn(C)cc1[C@@H](C)NCc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011843761 570587723 /nfs/dbraw/zinc/58/77/23/570587723.db2.gz BMRCVRWWKJXFMI-QGZVFWFLSA-N 0 1 391.563 5.028 50 0 GKAAMN O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000011911941 570592291 /nfs/dbraw/zinc/59/22/91/570592291.db2.gz NVANLKPETRTQFR-JWRIFHQMSA-N 0 1 397.522 5.148 50 0 GKAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)C1CCOCC1 ZINC000012056640 570602412 /nfs/dbraw/zinc/60/24/12/570602412.db2.gz JAYZXUSBPCTLMJ-UHFFFAOYSA-N 0 1 378.472 5.053 50 0 GKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3F)C2)c(=O)o1 ZINC000005488485 570613827 /nfs/dbraw/zinc/61/38/27/570613827.db2.gz HJSQLYYMEUGKKG-IBGZPJMESA-N 0 1 381.428 5.151 50 0 GKAAMN CC(C)(C)c1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000036347833 570630217 /nfs/dbraw/zinc/63/02/17/570630217.db2.gz HDZWNJFHYLRPNQ-DEOSSOPVSA-N 0 1 376.519 5.920 50 0 GKAAMN CCOc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000036347744 570630334 /nfs/dbraw/zinc/63/03/34/570630334.db2.gz VPERQPWXAKWMGP-RUZDIDTESA-N 0 1 390.527 5.281 50 0 GKAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc4oc(C(C)C)nc4c3)[nH]c2c1 ZINC000012307366 570639748 /nfs/dbraw/zinc/63/97/48/570639748.db2.gz DQDUDXUPZAUYOJ-LJQANCHMSA-N 0 1 388.471 5.113 50 0 GKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000000843905 570647147 /nfs/dbraw/zinc/64/71/47/570647147.db2.gz DQZDMNFUDTZMML-OAQYLSRUSA-N 0 1 396.824 5.702 50 0 GKAAMN COc1ccc2cc(-c3n[nH]cc3CN3CCCC[C@@H]3c3ccccn3)ccc2c1 ZINC000012430312 570658694 /nfs/dbraw/zinc/65/86/94/570658694.db2.gz CMJLYRSPJYHRDQ-XMMPIXPASA-N 0 1 398.510 5.361 50 0 GKAAMN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000012448052 570667402 /nfs/dbraw/zinc/66/74/02/570667402.db2.gz CSXGMAPSJDKGQF-IBGZPJMESA-N 0 1 376.525 5.052 50 0 GKAAMN COc1ccccc1[C@H]1CC(c2c(O)cc(C)oc2=O)=Nc2ccccc2S1 ZINC000005783417 570672305 /nfs/dbraw/zinc/67/23/05/570672305.db2.gz FGEQECFKZHTSEY-HXUWFJFHSA-N 0 1 393.464 5.020 50 0 biogenic GKAAMN COc1cc(-c2nc(CN(C)[C@@H]3CCCc4ccccc43)c(C)o2)ccc1F ZINC000012572350 570681314 /nfs/dbraw/zinc/68/13/14/570681314.db2.gz RQZLXAYTIZQVDZ-OAQYLSRUSA-N 0 1 380.463 5.307 50 0 GKAAMN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)C1 ZINC000012576012 570682263 /nfs/dbraw/zinc/68/22/63/570682263.db2.gz MECPDPIYPBJETB-LJQANCHMSA-N 0 1 399.897 5.174 50 0 GKAAMN CC(C)(C)c1cc(CN2CCN(c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000055542859 570696279 /nfs/dbraw/zinc/69/62/79/570696279.db2.gz JIOUJNZGCFJASH-UHFFFAOYSA-N 0 1 380.576 5.309 50 0 GKAAMN Cc1ccc2nc(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)[nH]c2c1 ZINC000006908883 570698817 /nfs/dbraw/zinc/69/88/17/570698817.db2.gz QUGXWAPEQZYGSJ-UHFFFAOYSA-N 0 1 380.300 5.217 50 0 GKAAMN Fc1ccc([C@H](NC2CCCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000006916631 570703233 /nfs/dbraw/zinc/70/32/33/570703233.db2.gz POKQDNQWFJFPTO-NRFANRHFSA-N 0 1 379.479 5.668 50 0 GKAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000017314994 570703566 /nfs/dbraw/zinc/70/35/66/570703566.db2.gz PNGNJVMRXCZHLZ-AWEZNQCLSA-N 0 1 388.342 5.706 50 0 GKAAMN Cc1[nH]c(SCc2nc(-c3cccc(Cl)c3)no2)nc1Cc1ccccc1 ZINC000006931714 570710299 /nfs/dbraw/zinc/71/02/99/570710299.db2.gz KQMGJFXXFYVEOH-UHFFFAOYSA-N 0 1 396.903 5.305 50 0 GKAAMN Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000017794262 570714904 /nfs/dbraw/zinc/71/49/04/570714904.db2.gz CYDZCSHQCALWAZ-NRFANRHFSA-N 0 1 390.458 5.066 50 0 GKAAMN CC(C)(C)[C@H](NCc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000058429997 570732978 /nfs/dbraw/zinc/73/29/78/570732978.db2.gz FLYPZCHICKQBEE-QGZVFWFLSA-N 0 1 396.350 5.159 50 0 GKAAMN C[C@@H]1CCCN([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000013039154 570743249 /nfs/dbraw/zinc/74/32/49/570743249.db2.gz XLHQGNYHSBLDPS-AUUYWEPGSA-N 0 1 377.315 5.405 50 0 GKAAMN Cc1ccc(N=C2C[C@@H](c3ccc4c(c3)OCO4)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001097728 570752598 /nfs/dbraw/zinc/75/25/98/570752598.db2.gz UXJQXTOCJSCBHR-QFIPXVFZSA-N 0 1 398.462 5.116 50 0 GKAAMN Cc1ccc2nc(C(=C(Sc3ccccc3)C(Cl)Cl)[N+](=O)[O-])[nH]c2c1 ZINC000004475641 570794428 /nfs/dbraw/zinc/79/44/28/570794428.db2.gz IJFJZNADRVSBLP-VKAVYKQESA-N 0 1 394.283 5.717 50 0 GKAAMN Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1Cc1ccco1 ZINC000012485291 570821474 /nfs/dbraw/zinc/82/14/74/570821474.db2.gz ULJCIWVUVVZMGV-UHFFFAOYSA-N 0 1 399.903 5.251 50 0 GKAAMN Cc1cccc(Cn2cccc2CN(Cc2cc(F)ccc2F)[C@H](C)C(C)C)c1 ZINC000004507106 570823435 /nfs/dbraw/zinc/82/34/35/570823435.db2.gz FRWGCJXUAGWCPG-HXUWFJFHSA-N 0 1 396.525 6.170 50 0 GKAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(Cl)cc1 ZINC000004678189 570823753 /nfs/dbraw/zinc/82/37/53/570823753.db2.gz SUGNCRVZZFKTQD-UHFFFAOYSA-N 0 1 376.685 5.115 50 0 GKAAMN COc1ccc(-c2cnc(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC000004678434 570824352 /nfs/dbraw/zinc/82/43/52/570824352.db2.gz FOMXKTIEXNITQM-UHFFFAOYSA-N 0 1 399.494 5.287 50 0 GKAAMN Cc1ccc(-c2cnc(NCc3cccc(OCc4ccccc4)c3)n2C)cc1 ZINC000004678506 570824626 /nfs/dbraw/zinc/82/46/26/570824626.db2.gz XEHOUKBTXIMHCQ-UHFFFAOYSA-N 0 1 383.495 5.587 50 0 GKAAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(OCc2ccccc2)cc1 ZINC000004678498 570824651 /nfs/dbraw/zinc/82/46/51/570824651.db2.gz HMODMRZJMYSIAH-UHFFFAOYSA-N 0 1 387.458 5.417 50 0 GKAAMN CCOc1ccc(-c2cnc(NCc3cccc(Cl)c3Cl)n2C)cc1 ZINC000004678745 570824930 /nfs/dbraw/zinc/82/49/30/570824930.db2.gz DXGJQGOZUXSFHW-UHFFFAOYSA-N 0 1 376.287 5.405 50 0 GKAAMN COc1ccc(-c2cnc(NCc3cccc(Oc4ccccc4)c3)n2C)cc1 ZINC000004678553 570824993 /nfs/dbraw/zinc/82/49/93/570824993.db2.gz IMLOWBBSIFQEML-UHFFFAOYSA-N 0 1 385.467 5.500 50 0 GKAAMN Fc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c(F)c1 ZINC000065521071 570829308 /nfs/dbraw/zinc/82/93/08/570829308.db2.gz DYOWYLKHIFRGAC-UHFFFAOYSA-N 0 1 375.422 5.107 50 0 GKAAMN O=P(Nc1ccccn1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000012523990 570830034 /nfs/dbraw/zinc/83/00/34/570830034.db2.gz MTXAIYUMIZDGAX-UHFFFAOYSA-N 0 1 395.182 6.066 50 0 GKAAMN COc1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000102665881 570856512 /nfs/dbraw/zinc/85/65/12/570856512.db2.gz XXUGVEJDYJXQNB-LFVRLGFBSA-N 0 1 376.456 5.118 50 0 GKAAMN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2ccccc2c1 ZINC000003373277 570863703 /nfs/dbraw/zinc/86/37/03/570863703.db2.gz XNFVVHAJUPNNPU-UHFFFAOYSA-N 0 1 385.794 5.313 50 0 GKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004554054 570880689 /nfs/dbraw/zinc/88/06/89/570880689.db2.gz PBWSVEWLPPFWDO-FQEVSTJZSA-N 0 1 377.513 5.097 50 0 GKAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(Cl)c1 ZINC000103998148 570892691 /nfs/dbraw/zinc/89/26/91/570892691.db2.gz CVPLOKDRCDBKIJ-QFIPXVFZSA-N 0 1 394.902 6.152 50 0 GKAAMN CN1C/C(=C/c2ccccc2)C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000051330317 570927770 /nfs/dbraw/zinc/92/77/70/570927770.db2.gz GTJXVFHOQFLCHN-QFRRFLDLSA-N 0 1 379.507 5.249 50 0 GKAAMN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1ccc2nc[nH]c2c1 ZINC000263587030 570928629 /nfs/dbraw/zinc/92/86/29/570928629.db2.gz BFGJBDAFUUBGAK-QHCPKHFHSA-N 0 1 380.451 5.136 50 0 GKAAMN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1CCCCc1ccccc1 ZINC000017080270 570940809 /nfs/dbraw/zinc/94/08/09/570940809.db2.gz ITSOSNORAZXKSE-UHFFFAOYSA-N 0 1 392.549 5.810 50 0 GKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)c(C)s2)sc1C ZINC000033290073 570960778 /nfs/dbraw/zinc/96/07/78/570960778.db2.gz XPYUSKQYHBJHOX-UHFFFAOYSA-N 0 1 392.571 5.215 50 0 GKAAMN Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)cc3F)n[nH]2)cs1 ZINC000208009109 570960796 /nfs/dbraw/zinc/96/07/96/570960796.db2.gz HGLDCHMWCGGTNI-UHFFFAOYSA-N 0 1 396.422 5.039 50 0 GKAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)s2)n1 ZINC000033289948 570960825 /nfs/dbraw/zinc/96/08/25/570960825.db2.gz PJXKJEMEVGOUIC-UHFFFAOYSA-N 0 1 398.962 5.251 50 0 GKAAMN Clc1cccc(CN2CCC(Nc3ccc(Br)cc3)CC2)c1 ZINC000004749413 570961500 /nfs/dbraw/zinc/96/15/00/570961500.db2.gz MRCYPZGJJFTOSN-UHFFFAOYSA-N 0 1 379.729 5.179 50 0 GKAAMN CC(C)(C)c1csc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)n1 ZINC000033297770 570961928 /nfs/dbraw/zinc/96/19/28/570961928.db2.gz JBPHFHMPAIYTHB-UHFFFAOYSA-N 0 1 396.534 5.109 50 0 GKAAMN Cc1cccc(Cn2cccc2CN(Cc2ccccc2F)[C@H](C)C(C)C)c1 ZINC000004379066 570964253 /nfs/dbraw/zinc/96/42/53/570964253.db2.gz ITZBEKRIBFDVOD-OAQYLSRUSA-N 0 1 378.535 6.031 50 0 GKAAMN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838206 570979133 /nfs/dbraw/zinc/97/91/33/570979133.db2.gz MBJXVGWHYDSTTN-UHFFFAOYSA-N 0 1 381.357 5.501 50 0 GKAAMN Cc1ccc2nc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)[nH]c2c1 ZINC000033328635 570985343 /nfs/dbraw/zinc/98/53/43/570985343.db2.gz OZUHQIICTODGIV-UHFFFAOYSA-N 0 1 375.859 5.373 50 0 GKAAMN Cc1c([C@H](C)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cnn1C(C)C ZINC000252538936 570992610 /nfs/dbraw/zinc/99/26/10/570992610.db2.gz NJUMCSUVFXWLFV-INIZCTEOSA-N 0 1 394.494 5.015 50 0 GKAAMN CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(OC)c(F)c1 ZINC000007607223 570998557 /nfs/dbraw/zinc/99/85/57/570998557.db2.gz GHBVFNGOBZDTPG-UHFFFAOYSA-N 0 1 392.474 5.109 50 0 GKAAMN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c(OC)c1 ZINC000037523152 571024568 /nfs/dbraw/zinc/02/45/68/571024568.db2.gz TXOHAZKJUYRHBU-VWLOTQADSA-N 0 1 390.527 5.117 50 0 GKAAMN O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037559513 571031327 /nfs/dbraw/zinc/03/13/27/571031327.db2.gz ZMJCCXPRCGBVJV-UHFFFAOYSA-N 0 1 394.515 5.199 50 0 GKAAMN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037560321 571031773 /nfs/dbraw/zinc/03/17/73/571031773.db2.gz NCMCDGIPJHJHSG-UHFFFAOYSA-N 0 1 386.486 5.009 50 0 GKAAMN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000017314508 210209001 /nfs/dbraw/zinc/20/90/01/210209001.db2.gz IOHVMGWAEVCQAL-HNNXBMFYSA-N 0 1 399.321 6.097 50 0 GKAAMN CCc1c(C)sc2c1CCN(Cc1cccc(Cl)c1)[C@@H]2c1ccccc1 ZINC000015864893 210175559 /nfs/dbraw/zinc/17/55/59/210175559.db2.gz XAOMAKOYSGFEKV-JOCHJYFZSA-N 0 1 381.972 6.420 50 0 GKAAMN Cc1[nH]nc2c1[C@H](c1ccc(C(C)C)cc1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013551260 210067269 /nfs/dbraw/zinc/06/72/69/210067269.db2.gz MQDSWDGSTWBNRV-DEOSSOPVSA-N 0 1 398.510 5.111 50 0 GKAAMN Oc1ccc(Cl)cc1-c1nc2ccc(C=Cc3ccc(Cl)cc3)cc2[nH]1 ZINC000013230040 210054900 /nfs/dbraw/zinc/05/49/00/210054900.db2.gz IKNGDSTUJPRFHW-OWOJBTEDSA-N 0 1 381.262 6.413 50 0 GKAAMN C[C@@H](NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000012909016 210026001 /nfs/dbraw/zinc/02/60/01/210026001.db2.gz AKNUJTIPZINJRA-QWHCGFSZSA-N 0 1 391.298 5.268 50 0 GKAAMN COC[C@@H]1CCCN(Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)C1 ZINC000012055162 209901823 /nfs/dbraw/zinc/90/18/23/209901823.db2.gz QSGYHQDBFLOTGH-LJQANCHMSA-N 0 1 376.500 5.175 50 0 GKAAMN C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)[O-] ZINC000299760438 222785420 /nfs/dbraw/zinc/78/54/20/222785420.db2.gz HQVVOUBRPSEWJA-MRXNPFEDSA-N 0 1 381.497 5.072 50 0 GKAAMN CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1cccc(Cl)c1 ZINC000004679410 209510007 /nfs/dbraw/zinc/51/00/07/209510007.db2.gz NXXZMTLJMWCFKA-UHFFFAOYSA-N 0 1 383.923 6.014 50 0 GKAAMN CCCCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000002893777 209395836 /nfs/dbraw/zinc/39/58/36/209395836.db2.gz DWRTZTCCOSEOBJ-UHFFFAOYSA-N 0 1 392.465 5.207 50 0 GKAAMN c1ccc(COc2ccc(CNC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000002177937 209348633 /nfs/dbraw/zinc/34/86/33/209348633.db2.gz QUFUABQHBYFNQH-UHFFFAOYSA-N 0 1 379.503 6.145 50 0 GKAAMN Fc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002301661 209356581 /nfs/dbraw/zinc/35/65/81/209356581.db2.gz IKVQRVWRNPEQHV-UHFFFAOYSA-N 0 1 390.461 7.217 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2cc(Cl)ccc2Cl)n1 ZINC000001878292 209341268 /nfs/dbraw/zinc/34/12/68/209341268.db2.gz LPHWCOUCKLPOPE-UHFFFAOYSA-N 0 1 383.234 6.102 50 0 GKAAMN C[C@@H]1C[C@@H](C)CN([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)C1 ZINC000034896589 212177711 /nfs/dbraw/zinc/17/77/11/212177711.db2.gz VHEQVJXZOYORGL-SXGZJXTBSA-N 0 1 391.342 5.651 50 0 GKAAMN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000641799 212168257 /nfs/dbraw/zinc/16/82/57/212168257.db2.gz QSWHYNGGWKQIQM-UHFFFAOYSA-N 0 1 385.099 5.409 50 0 GKAAMN Cc1oc2cc(OCCN3CCCCC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000006760766 212148022 /nfs/dbraw/zinc/14/80/22/212148022.db2.gz MGJLWPVLIOJXIA-UHFFFAOYSA-N 0 1 397.902 5.287 50 0 GKAAMN CCc1ccc2[nH]c(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000008714142 212148108 /nfs/dbraw/zinc/14/81/08/212148108.db2.gz ARAAOIZWRORVCN-UHFFFAOYSA-N 0 1 396.534 6.014 50 0 GKAAMN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1ccc2nc[nH]c2c1 ZINC000263587029 212139486 /nfs/dbraw/zinc/13/94/86/212139486.db2.gz BFGJBDAFUUBGAK-HSZRJFAPSA-N 0 1 380.451 5.136 50 0 GKAAMN Clc1ccc([C@@H]2[C@H]3CCCC[C@@]3(N3CCCC3)ON2c2ccccc2)cc1 ZINC000017194231 212111227 /nfs/dbraw/zinc/11/12/27/212111227.db2.gz VTHPIPJKAPTIFC-DNVJHFABSA-N 0 1 382.935 5.815 50 0 GKAAMN Cc1c([C@H](C)NCc2ccc3nsnc3c2)cnn1-c1cccc2ccccc21 ZINC000055089952 212059725 /nfs/dbraw/zinc/05/97/25/212059725.db2.gz USCLMIRYKSBDHV-HNNXBMFYSA-N 0 1 399.523 5.189 50 0 GKAAMN Fc1ccccc1COc1ccccc1CNC(c1ccccc1)c1ccccc1 ZINC000003388246 204002595 /nfs/dbraw/zinc/00/25/95/204002595.db2.gz NNLQXYKFJIZJEJ-UHFFFAOYSA-N 0 1 397.493 6.284 50 0 GKAAMN Fc1cccc(Cl)c1CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000004391761 204043143 /nfs/dbraw/zinc/04/31/43/204043143.db2.gz IASIHGVRBWDYNA-UHFFFAOYSA-N 0 1 388.682 5.863 50 0 GKAAMN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2ccc(OC)cc2[nH]1 ZINC000004273654 204035572 /nfs/dbraw/zinc/03/55/72/204035572.db2.gz YTALNWCCTVVKPM-ZIAGYGMSSA-N 0 1 383.517 5.204 50 0 GKAAMN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000004725524 204069216 /nfs/dbraw/zinc/06/92/16/204069216.db2.gz QAWQSMIOTAXZHK-UHFFFAOYSA-N 0 1 398.978 5.381 50 0 GKAAMN COc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2C)CC(C)C)c1 ZINC000004422301 204045153 /nfs/dbraw/zinc/04/51/53/204045153.db2.gz DEESAFMUWHASPA-UHFFFAOYSA-N 0 1 376.544 5.512 50 0 GKAAMN CCCCOc1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000004493735 204047075 /nfs/dbraw/zinc/04/70/75/204047075.db2.gz IOWINLGMYFJACD-UHFFFAOYSA-N 0 1 395.480 5.566 50 0 GKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000004555242 204053171 /nfs/dbraw/zinc/05/31/71/204053171.db2.gz AGQLNAVYWDFQMX-MRXNPFEDSA-N 0 1 396.343 5.250 50 0 GKAAMN CC(C)c1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000004678661 204063630 /nfs/dbraw/zinc/06/36/30/204063630.db2.gz TUJCVENZQMIXEO-UHFFFAOYSA-N 0 1 381.523 6.490 50 0 GKAAMN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc4ccccc4c2)[C@@H]3CCC1 ZINC000005032481 204104914 /nfs/dbraw/zinc/10/49/14/204104914.db2.gz SBUWIXOOCSFQCW-AREMUKBSSA-N 0 1 380.535 6.386 50 0 GKAAMN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4CCCC[C@@H]4C)cc3)sc2c1 ZINC000035262632 204135531 /nfs/dbraw/zinc/13/55/31/204135531.db2.gz QEFAAMBTSZPXTO-DLBZAZTESA-N 0 1 393.556 5.473 50 0 GKAAMN CCC(C)(C)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000005519776 204137930 /nfs/dbraw/zinc/13/79/30/204137930.db2.gz RTEMOXLFMRCLQV-UHFFFAOYSA-N 0 1 384.479 6.482 50 0 GKAAMN Clc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000007252222 204237243 /nfs/dbraw/zinc/23/72/43/204237243.db2.gz GVIROUIYHFTMNX-UHFFFAOYSA-N 0 1 380.698 5.180 50 0 GKAAMN Fc1ccc(-n2cc(CNCc3cccnc3)c(-c3ccccc3Cl)n2)cc1 ZINC000011821829 204356535 /nfs/dbraw/zinc/35/65/35/204356535.db2.gz CJJBGCQDKPSUFN-UHFFFAOYSA-N 0 1 392.865 5.017 50 0 GKAAMN Cc1nn(C)cc1[C@H](C)NCc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011843762 204357257 /nfs/dbraw/zinc/35/72/57/204357257.db2.gz BMRCVRWWKJXFMI-KRWDZBQOSA-N 0 1 391.563 5.028 50 0 GKAAMN O=C(CC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1)Nc1ccccc1F ZINC000011934864 204362554 /nfs/dbraw/zinc/36/25/54/204362554.db2.gz HHOVNNGBIJEGAR-AWEZNQCLSA-N 0 1 380.916 5.172 50 0 GKAAMN CC(=O)c1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1 ZINC000012303562 204392581 /nfs/dbraw/zinc/39/25/81/204392581.db2.gz PALOYKJVGKIIJH-QFIPXVFZSA-N 0 1 391.490 5.017 50 0 GKAAMN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000033290126 204956074 /nfs/dbraw/zinc/95/60/74/204956074.db2.gz PYAKTNOCTIVCSW-UHFFFAOYSA-N 0 1 396.534 5.243 50 0 GKAAMN COc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000036348334 205013398 /nfs/dbraw/zinc/01/33/98/205013398.db2.gz WXIMNESFIMTSHK-RUZDIDTESA-N 0 1 388.555 5.790 50 0 GKAAMN Cc1ccccc1CN1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037522261 205027392 /nfs/dbraw/zinc/02/73/92/205027392.db2.gz SPMJZACFXJTMAR-QFIPXVFZSA-N 0 1 384.445 5.811 50 0 GKAAMN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838152 205086500 /nfs/dbraw/zinc/08/65/00/205086500.db2.gz AUMANMFUYPFRRE-UHFFFAOYSA-N 0 1 382.250 5.789 50 0 GKAAMN [S-]C1=[NH+][C@@H](c2ccc(Cl)cc2Cl)C=C(C23CC4CC(CC(C4)C2)C3)N1 ZINC000050097617 205129987 /nfs/dbraw/zinc/12/99/87/205129987.db2.gz XDYJTOAEOCFCDO-SUZAXQQNSA-N 0 1 393.383 5.613 50 0 GKAAMN FC(F)(F)c1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 ZINC000057510959 205160102 /nfs/dbraw/zinc/16/01/02/205160102.db2.gz JQKXUJBMQZTUOI-UHFFFAOYSA-N 0 1 390.752 5.466 50 0 GKAAMN Cc1cc2oc(=O)cc(CNC(C)(C)c3ccc(Cl)c(Cl)c3)c2cc1C ZINC000058229756 205170113 /nfs/dbraw/zinc/17/01/13/205170113.db2.gz HSEBDVYNUWNBKX-UHFFFAOYSA-N 0 1 390.310 5.742 50 0 GKAAMN C[C@H](c1ccccn1)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000072411257 205346404 /nfs/dbraw/zinc/34/64/04/205346404.db2.gz ZQKRPJYHBQMKJM-LJQANCHMSA-N 0 1 398.510 5.467 50 0 GKAAMN CCSc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000096180010 205541585 /nfs/dbraw/zinc/54/15/85/205541585.db2.gz GEBRHHUACFSAMF-QGZVFWFLSA-N 0 1 384.480 5.183 50 0 GKAAMN Cc1cc2oc(=O)cc(CN[C@@H](c3cccs3)C(C)(C)CO)c2cc1C(C)C ZINC000242317047 206129960 /nfs/dbraw/zinc/12/99/60/206129960.db2.gz YWWKWRHJKGUNGI-QFIPXVFZSA-N 0 1 399.556 5.136 50 0 GKAAMN CCOc1cc(-c2nc(-c3ccccc3)c(-c3ccc(OC)cc3)[nH]2)ccc1O ZINC000004813014 206555857 /nfs/dbraw/zinc/55/58/57/206555857.db2.gz LURDZWJANOLDLM-UHFFFAOYSA-N 0 1 386.451 5.524 50 0 GKAAMN Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2 ZINC000100493792 211385951 /nfs/dbraw/zinc/38/59/51/211385951.db2.gz ZHBSCBQFJCPQOG-UHFFFAOYSA-N 0 1 377.538 5.165 50 0 GKAAMN CCN(CC)[C@@H](C(=O)Nc1ccc(F)cc1C)c1cccc(C(F)(F)F)c1 ZINC000084771149 211176569 /nfs/dbraw/zinc/17/65/69/211176569.db2.gz RSQFCCPMEUASPS-GOSISDBHSA-N 0 1 382.401 5.175 50 0 GKAAMN Cc1cccc2nc(CCn3cnc(-c4ccccc4)c3-c3cccnc3)[nH]c21 ZINC000067803563 211023198 /nfs/dbraw/zinc/02/31/98/211023198.db2.gz NNOZSTIZIQMYBC-UHFFFAOYSA-N 0 1 379.467 5.040 50 0 GKAAMN C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012534897 206908796 /nfs/dbraw/zinc/90/87/96/206908796.db2.gz YOFIIIZNPROVKG-FQEVSTJZSA-N 0 1 399.538 5.243 50 0 GKAAMN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1Br ZINC000057412143 210896912 /nfs/dbraw/zinc/89/69/12/210896912.db2.gz XHDADHIJFAOAFA-UHFFFAOYSA-N 0 1 390.668 5.053 50 0 GKAAMN FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccccc2)cc1 ZINC000020431982 207191602 /nfs/dbraw/zinc/19/16/02/207191602.db2.gz YXZYTPILCOZOFZ-FQEVSTJZSA-N 0 1 389.442 5.794 50 0 GKAAMN FC(F)(F)c1ccnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020443484 207193080 /nfs/dbraw/zinc/19/30/80/207193080.db2.gz BBLHFNQYGNUTNT-UHFFFAOYSA-N 0 1 397.444 5.012 50 0 GKAAMN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccc(F)c3F)C2)c(F)c1 ZINC000020997127 207222893 /nfs/dbraw/zinc/22/28/93/207222893.db2.gz ZQAXWPGQNXKPDE-AWEZNQCLSA-N 0 1 389.396 5.013 50 0 GKAAMN Fc1ccc([C@@H](c2ccccc2)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454873 207253432 /nfs/dbraw/zinc/25/34/32/207253432.db2.gz XXHZCEFLKKELQZ-AREMUKBSSA-N 0 1 399.513 5.214 50 0 GKAAMN c1c(CN2CCC[C@H](c3nc4ccccc4s3)C2)noc1-c1ccccc1 ZINC000023935603 207284040 /nfs/dbraw/zinc/28/40/40/207284040.db2.gz QPMJTPHRAYCUPE-KRWDZBQOSA-N 0 1 375.497 5.331 50 0 GKAAMN Fc1ccc(-c2cnc(CN3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000023955913 207284330 /nfs/dbraw/zinc/28/43/30/207284330.db2.gz KOWKPXGAGYAEJM-INIZCTEOSA-N 0 1 393.487 5.470 50 0 GKAAMN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023437111 207278552 /nfs/dbraw/zinc/27/85/52/207278552.db2.gz OCRXBSHTSJGYTJ-UHFFFAOYSA-N 0 1 397.522 6.159 50 0 GKAAMN c1cc(-c2nc(CN[C@@H](Cc3ccccc3)c3ccccc3)cs2)cs1 ZINC000024734484 207294739 /nfs/dbraw/zinc/29/47/39/207294739.db2.gz BKMSZYDOPKMOHD-NRFANRHFSA-N 0 1 376.550 5.945 50 0 GKAAMN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027581921 207327835 /nfs/dbraw/zinc/32/78/35/207327835.db2.gz YLJQUFHDBFLBAC-OAQYLSRUSA-N 0 1 394.490 5.146 50 0 GKAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)Cc2cccc(Cl)c2)[nH]n1 ZINC000096400281 208317135 /nfs/dbraw/zinc/31/71/35/208317135.db2.gz NULKUCFSBYFHJU-UHFFFAOYSA-N 0 1 392.890 5.194 50 0 GKAAMN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(Cc2ccoc2)CC1 ZINC000020514935 210343405 /nfs/dbraw/zinc/34/34/05/210343405.db2.gz SNQAEAOGNJVGAT-UHFFFAOYSA-N 0 1 399.494 5.279 50 0 GKAAMN Cc1ccccc1-c1cn[nH]c1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000020481218 210339920 /nfs/dbraw/zinc/33/99/20/210339920.db2.gz HKHPPOKJJFZQAU-NRFANRHFSA-N 0 1 387.527 5.114 50 0 GKAAMN Cc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000020481215 210339341 /nfs/dbraw/zinc/33/93/41/210339341.db2.gz HKHPPOKJJFZQAU-OAQYLSRUSA-N 0 1 387.527 5.114 50 0 GKAAMN FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2ccccc2)cc1 ZINC000020431984 210334545 /nfs/dbraw/zinc/33/45/45/210334545.db2.gz YXZYTPILCOZOFZ-HXUWFJFHSA-N 0 1 389.442 5.794 50 0 GKAAMN Oc1cc(Br)c2oc(Cc3ccccc3)cc2c1Br ZINC000000978448 220472827 /nfs/dbraw/zinc/47/28/27/220472827.db2.gz AKBRFGJTSLGFTG-UHFFFAOYSA-N 0 1 382.051 5.254 50 0 GKAAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)[nH]c2c1 ZINC000006292148 220926909 /nfs/dbraw/zinc/92/69/09/220926909.db2.gz OKJWHLKTNBCHGV-JTQLQIEISA-N 0 1 380.300 5.297 50 0 GKAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000008342118 221038187 /nfs/dbraw/zinc/03/81/87/221038187.db2.gz ZTDRGCODWMUAGC-IBGZPJMESA-N 0 1 388.496 5.054 50 0 GKAAMN CC(C)(C)c1cc(CNCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)[nH]n1 ZINC000012302366 221178087 /nfs/dbraw/zinc/17/80/87/221178087.db2.gz HIRMXZJKPXKEFO-UHFFFAOYSA-N 0 1 385.515 5.054 50 0 GKAAMN COC1CCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000012577110 221208902 /nfs/dbraw/zinc/20/89/02/221208902.db2.gz LWIPCBJMDXGGPC-UHFFFAOYSA-N 0 1 378.472 5.053 50 0 GKAAMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568600 221209152 /nfs/dbraw/zinc/20/91/52/221209152.db2.gz GSALKRWPFKYOEM-UONOGXRCSA-N 0 1 396.541 5.348 50 0 GKAAMN CCOc1ccccc1-c1nc(CN(C)Cc2cccc3ccccc32)c(C)o1 ZINC000012586834 221211866 /nfs/dbraw/zinc/21/18/66/221211866.db2.gz VNTHSLVFWJCMLB-UHFFFAOYSA-N 0 1 386.495 5.834 50 0 GKAAMN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4CCCC[C@@H]4C)cc3)sc2c1 ZINC000012904885 221243742 /nfs/dbraw/zinc/24/37/42/221243742.db2.gz QEFAAMBTSZPXTO-IRXDYDNUSA-N 0 1 393.556 5.473 50 0 GKAAMN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1F ZINC000013759463 221287877 /nfs/dbraw/zinc/28/78/77/221287877.db2.gz IFBKQBARPJGXJC-AGILITTLSA-N 0 1 383.507 5.093 50 0 GKAAMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000014256406 221307582 /nfs/dbraw/zinc/30/75/82/221307582.db2.gz SJGVXTIDSXNQFE-HNNXBMFYSA-N 0 1 375.534 5.307 50 0 GKAAMN Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCC(C)CC2)o1 ZINC000015860274 221348647 /nfs/dbraw/zinc/34/86/47/221348647.db2.gz TWJUHPITDVPCLU-OAQYLSRUSA-N 0 1 382.548 5.089 50 0 GKAAMN Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccc2c(c1)OCO2 ZINC000016450023 221363232 /nfs/dbraw/zinc/36/32/32/221363232.db2.gz KHTBWZGDOJIVAE-UHFFFAOYSA-N 0 1 399.849 5.077 50 0 GKAAMN CCN(CC)CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000757960 136196450 /nfs/dbraw/zinc/19/64/50/136196450.db2.gz TVDDTARAMCNXMY-UHFFFAOYSA-N 0 1 380.435 5.177 50 0 biogenic GKAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]n2)cc1 ZINC000051315431 222004045 /nfs/dbraw/zinc/00/40/45/222004045.db2.gz YWNQQOHDMPCTMZ-UHFFFAOYSA-N 0 1 399.450 5.520 50 0 GKAAMN O=S(=O)(Nc1ccccc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004659 222095077 /nfs/dbraw/zinc/09/50/77/222095077.db2.gz UIGVQPXXGRNJKN-UHFFFAOYSA-N 0 1 392.477 5.001 50 0 GKAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000065322373 222122849 /nfs/dbraw/zinc/12/28/49/222122849.db2.gz YGPDJRNCNFWBBP-UHFFFAOYSA-N 0 1 384.568 5.053 50 0 GKAAMN Cc1ccc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCCN(C)C1 ZINC000085393232 222323405 /nfs/dbraw/zinc/32/34/05/222323405.db2.gz QOKSLUVRRGQTTL-UHFFFAOYSA-N 0 1 386.461 5.589 50 0 GKAAMN Cc1ccc2nc(S[C@@H](C(=O)NC3CCCCCC3)c3ccccc3)[nH]c2c1 ZINC000080338819 222307488 /nfs/dbraw/zinc/30/74/88/222307488.db2.gz ZEWCNMUTRIXELL-OAQYLSRUSA-N 0 1 393.556 5.544 50 0 GKAAMN O=[P@]([O-])(CCc1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000020567134 518203207 /nfs/dbraw/zinc/20/32/07/518203207.db2.gz CFXIGCDFXFTROA-JOCHJYFZSA-N 0 1 399.858 5.642 50 0 GKAAMN Cc1ccc(C(=O)Nc2cccc(CN[C@H](C)c3ccc(F)c(F)c3)c2)cc1 ZINC000012808379 570222232 /nfs/dbraw/zinc/22/22/32/570222232.db2.gz JOEZJLBGDOTPSY-MRXNPFEDSA-N 0 1 380.438 5.376 50 0 GKAAMN COc1ccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000783556 570223128 /nfs/dbraw/zinc/22/31/28/570223128.db2.gz ZZXCINIXCYUYKC-JOCHJYFZSA-N 0 1 392.405 5.057 50 0 GKAAMN FC(F)(F)c1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019841261 570224873 /nfs/dbraw/zinc/22/48/73/570224873.db2.gz MUNABIINICXUOD-UHFFFAOYSA-N 0 1 384.445 5.176 50 0 GKAAMN c1[nH]c2ccccc2c1-c1nc(-c2cccc3ccccc32)c(-c2ccccc2)[nH]1 ZINC000000828894 570225660 /nfs/dbraw/zinc/22/56/60/570225660.db2.gz VFVPFSIATVMLPO-UHFFFAOYSA-N 0 1 385.470 7.045 50 0 GKAAMN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023307577 570229158 /nfs/dbraw/zinc/22/91/58/570229158.db2.gz RGVCKEPGFMHJDB-UHFFFAOYSA-N 0 1 393.918 5.659 50 0 GKAAMN C[C@@H](N[C@@H](C)c1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012820038 570233116 /nfs/dbraw/zinc/23/31/16/570233116.db2.gz HTTYVVSZBCOYDB-QWHCGFSZSA-N 0 1 381.526 5.125 50 0 GKAAMN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)CN3CCCCC3)c3ccccc32)cc1 ZINC000000985099 570233161 /nfs/dbraw/zinc/23/31/61/570233161.db2.gz JNRPQABIBRXNSO-SANMLTNESA-N 0 1 390.571 5.302 50 0 GKAAMN C[C@@H](N[C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cccs1 ZINC000012820035 570233344 /nfs/dbraw/zinc/23/33/44/570233344.db2.gz HTTYVVSZBCOYDB-CHWSQXEVSA-N 0 1 381.526 5.125 50 0 GKAAMN Cc1ccc(-c2nc(CSc3nc(-c4ccccc4F)n[nH]3)co2)c(C)c1 ZINC000048326266 570235444 /nfs/dbraw/zinc/23/54/44/570235444.db2.gz UQKKNFXHPXZPJC-UHFFFAOYSA-N 0 1 380.448 5.175 50 0 GKAAMN O=C(NC1CCC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023309033 570235545 /nfs/dbraw/zinc/23/55/45/570235545.db2.gz KYLZVQRVANJZIT-UHFFFAOYSA-N 0 1 386.282 5.333 50 0 GKAAMN CCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023311736 570237871 /nfs/dbraw/zinc/23/78/71/570237871.db2.gz URLJUDOXFVRRIP-UHFFFAOYSA-N 0 1 387.405 5.245 50 0 GKAAMN CC(C)(C)[C@@H](NCn1nc(-c2cccnc2)n(C2CC2)c1=S)c1cccs1 ZINC000048340500 570239124 /nfs/dbraw/zinc/23/91/24/570239124.db2.gz XLYRBBBBPXQOFB-KRWDZBQOSA-N 0 1 399.589 5.207 50 0 GKAAMN O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000001157200 570250610 /nfs/dbraw/zinc/25/06/10/570250610.db2.gz HFLNUGYYRIKBLV-UHFFFAOYSA-N 0 1 394.279 5.587 50 0 GKAAMN Cc1ccc(-c2nc(CN3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)o1 ZINC000020322980 570252104 /nfs/dbraw/zinc/25/21/04/570252104.db2.gz SIJGEGZKNPAUNG-INIZCTEOSA-N 0 1 377.444 5.072 50 0 GKAAMN O=P(NC(=S)Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000003086393 570270706 /nfs/dbraw/zinc/27/07/06/570270706.db2.gz RYNIACVAJBDLIM-UHFFFAOYSA-N 0 1 384.397 5.239 50 0 GKAAMN Fc1ccc(C=Cc2n[nH]c(SCCCOc3ccc(Cl)cc3)n2)cc1 ZINC000014897958 570272241 /nfs/dbraw/zinc/27/22/41/570272241.db2.gz XCAQNTVDYIWTLU-NYYWCZLTSA-N 0 1 389.883 5.329 50 0 GKAAMN O=C1c2ccccc2[C@@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N12 ZINC000100425187 570272253 /nfs/dbraw/zinc/27/22/53/570272253.db2.gz CYYJKHHAWOYZRN-QKFKETGDSA-N 0 1 398.487 5.925 50 0 GKAAMN O=S(=O)(Nc1ccc2oc3c(c2c1)CCCC3)c1cc(Cl)ccc1Cl ZINC000002184765 570277860 /nfs/dbraw/zinc/27/78/60/570277860.db2.gz QIMNDPSXUMNEOO-UHFFFAOYSA-N 0 1 396.295 5.419 50 0 GKAAMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000006178710 570282095 /nfs/dbraw/zinc/28/20/95/570282095.db2.gz PGMIUUAEEDRQFS-LSDHHAIUSA-N 0 1 380.517 5.105 50 0 GKAAMN COc1cccc([C@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c1 ZINC000002351438 570283948 /nfs/dbraw/zinc/28/39/48/570283948.db2.gz XBBZLOKOMXVGTI-XMMPIXPASA-N 0 1 384.479 5.396 50 0 GKAAMN Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](COc2cccc(C)c2)C1 ZINC000020916846 570284600 /nfs/dbraw/zinc/28/46/00/570284600.db2.gz QRTGOAHQJXNXEJ-SFHVURJKSA-N 0 1 382.529 5.311 50 0 GKAAMN O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccsc2)CC1 ZINC000034682500 570300319 /nfs/dbraw/zinc/30/03/19/570300319.db2.gz ZDWUAYKHIZSKOR-UHFFFAOYSA-N 0 1 382.554 5.121 50 0 GKAAMN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccco3)CC2)cc1 ZINC000034683008 570300671 /nfs/dbraw/zinc/30/06/71/570300671.db2.gz DQSKCQLRQONMGN-UHFFFAOYSA-N 0 1 388.511 5.208 50 0 GKAAMN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683356 570300882 /nfs/dbraw/zinc/30/08/82/570300882.db2.gz XGZHNZPDBONNLI-UHFFFAOYSA-N 0 1 388.511 5.208 50 0 GKAAMN COc1cc2c(cc1CN1CCc3ccccc3C1)oc(C)c2-c1ccccc1 ZINC000022077659 570305141 /nfs/dbraw/zinc/30/51/41/570305141.db2.gz MNBLLUSDWPBUFY-UHFFFAOYSA-N 0 1 383.491 5.975 50 0 GKAAMN CCN(Cc1ccccc1)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928694 570318485 /nfs/dbraw/zinc/31/84/85/570318485.db2.gz MGGMEBDPDNBEFC-UHFFFAOYSA-N 0 1 385.507 6.439 50 0 GKAAMN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023433459 570323512 /nfs/dbraw/zinc/32/35/12/570323512.db2.gz QNGMMOGJSUCTAK-HSZRJFAPSA-N 0 1 393.490 5.551 50 0 GKAAMN C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)C1 ZINC000023439994 570324011 /nfs/dbraw/zinc/32/40/11/570324011.db2.gz OUCADHMRPMFWCA-GOSISDBHSA-N 0 1 395.506 5.769 50 0 GKAAMN Cc1cc2oc(-c3ccc(C(C)C)cc3)c(-c3c(O)cc(C)oc3=O)c2c(=O)o1 ZINC000524731557 570328851 /nfs/dbraw/zinc/32/88/51/570328851.db2.gz BOXJCCJYNSCXKG-UHFFFAOYSA-N 0 1 392.407 5.119 50 0 biogenic GKAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034794723 570337025 /nfs/dbraw/zinc/33/70/25/570337025.db2.gz IBGUCWVTJWNFHD-UHFFFAOYSA-N 0 1 375.806 5.213 50 0 GKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Cc2ccc(F)cc2)cc1 ZINC000034795836 570337430 /nfs/dbraw/zinc/33/74/30/570337430.db2.gz QRKUGBBECJFGHS-UHFFFAOYSA-N 0 1 391.490 5.572 50 0 GKAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2ccccc2Cl)c1 ZINC000034796184 570337854 /nfs/dbraw/zinc/33/78/54/570337854.db2.gz RLPOAVJUWZRHOL-UHFFFAOYSA-N 0 1 383.879 5.190 50 0 GKAAMN C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035361569 570344609 /nfs/dbraw/zinc/34/46/09/570344609.db2.gz GSALKRWPFKYOEM-KBPBESRZSA-N 0 1 396.541 5.348 50 0 GKAAMN CCCCOc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000003668376 570350237 /nfs/dbraw/zinc/35/02/37/570350237.db2.gz AJCYMZYWQKQVMO-RUZDIDTESA-N 0 1 398.506 5.949 50 0 GKAAMN COc1ccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)cc1 ZINC000003876280 570353004 /nfs/dbraw/zinc/35/30/04/570353004.db2.gz FAWMKEKKMMKLBF-UHFFFAOYSA-N 0 1 376.459 6.573 50 0 GKAAMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035362411 570360137 /nfs/dbraw/zinc/36/01/37/570360137.db2.gz ZRMOYBFYPALLGV-RDJZCZTQSA-N 0 1 390.512 5.287 50 0 GKAAMN O=c1c2c(-c3ccc(F)cc3)csc2[nH]c(=S)n1CCc1ccccc1 ZINC000004200292 570363108 /nfs/dbraw/zinc/36/31/08/570363108.db2.gz PZCIRPZWLKXYLF-UHFFFAOYSA-N 0 1 382.485 5.169 50 0 GKAAMN O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1)NC1CCCC1 ZINC000004927712 570370936 /nfs/dbraw/zinc/37/09/36/570370936.db2.gz NLKJJADMHWENFS-UHFFFAOYSA-N 0 1 395.503 5.034 50 0 GKAAMN CCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000004413583 570374334 /nfs/dbraw/zinc/37/43/34/570374334.db2.gz RAMFJRFKSXBKMY-UHFFFAOYSA-N 0 1 382.891 5.003 50 0 GKAAMN Cc1cccc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)c1 ZINC000023956042 570375860 /nfs/dbraw/zinc/37/58/60/570375860.db2.gz ANZJQMCOBFNTPX-QGZVFWFLSA-N 0 1 390.512 5.034 50 0 GKAAMN Cc1ccccc1-c1noc(CN2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000023990151 570376335 /nfs/dbraw/zinc/37/63/35/570376335.db2.gz FYJUUDVGFHMHGG-INIZCTEOSA-N 0 1 390.512 5.034 50 0 GKAAMN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccccc1Cl ZINC000004084120 570386544 /nfs/dbraw/zinc/38/65/44/570386544.db2.gz CGAXGIVILAYNDK-OYDLWJJNSA-N 0 1 399.962 5.607 50 0 biogenic GKAAMN CCCCCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000004980718 570421288 /nfs/dbraw/zinc/42/12/88/570421288.db2.gz FWIQIIMFTNFRGR-UHFFFAOYSA-N 0 1 386.967 5.621 50 0 GKAAMN C[S@](=O)c1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 ZINC000005116013 570429805 /nfs/dbraw/zinc/42/98/05/570429805.db2.gz GABQPFWIQFRJSE-JOCHJYFZSA-N 0 1 375.664 5.053 50 0 GKAAMN CCN(CC)[C@@H](CNC(=O)c1oc2ccc(C)cc2c1C)c1ccccc1Cl ZINC000027580308 570436158 /nfs/dbraw/zinc/43/61/58/570436158.db2.gz INOBFXNJLZQINI-FQEVSTJZSA-N 0 1 398.934 5.516 50 0 GKAAMN CCN(CC)[C@H](CNC(=O)c1oc2ccc(C)cc2c1C)c1ccccc1Cl ZINC000027580312 570436221 /nfs/dbraw/zinc/43/62/21/570436221.db2.gz INOBFXNJLZQINI-HXUWFJFHSA-N 0 1 398.934 5.516 50 0 GKAAMN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580435 570436302 /nfs/dbraw/zinc/43/63/02/570436302.db2.gz XKUHVXPOTFRIPB-GOSISDBHSA-N 0 1 396.556 5.377 50 0 GKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000027991513 570448343 /nfs/dbraw/zinc/44/83/43/570448343.db2.gz IHUSXAJDVDDRQD-HXUWFJFHSA-N 0 1 396.918 5.270 50 0 GKAAMN Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc12 ZINC000005611640 570449170 /nfs/dbraw/zinc/44/91/70/570449170.db2.gz HBQZTMUOXUQHTH-UHFFFAOYSA-N 0 1 377.343 5.103 50 0 GKAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 ZINC000028287599 570454702 /nfs/dbraw/zinc/45/47/02/570454702.db2.gz VKEVZOGERICKCH-GOSISDBHSA-N 0 1 382.529 5.068 50 0 GKAAMN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1sc2ccccc2c1Cl ZINC000028291416 570456058 /nfs/dbraw/zinc/45/60/58/570456058.db2.gz LTSHZIQVZSOVCT-GOSISDBHSA-N 0 1 398.959 5.512 50 0 GKAAMN CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCC3)c(C)c2c1 ZINC000028403258 570459205 /nfs/dbraw/zinc/45/92/05/570459205.db2.gz WNOLJQRQMRYHPF-LJQANCHMSA-N 0 1 396.556 5.322 50 0 GKAAMN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccccc1F ZINC000005163799 570468711 /nfs/dbraw/zinc/46/87/11/570468711.db2.gz IFBKQBARPJGXJC-HUVFLSCGSA-N 0 1 383.507 5.093 50 0 GKAAMN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccccc1Cl ZINC000005163627 570468997 /nfs/dbraw/zinc/46/89/97/570468997.db2.gz BUZOOTVRWDNERF-PMOQBDJRSA-N 0 1 385.935 5.217 50 0 GKAAMN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000029482960 570474694 /nfs/dbraw/zinc/47/46/94/570474694.db2.gz ZQMYMCXYXYGOJC-QGZVFWFLSA-N 0 1 383.706 5.205 50 0 GKAAMN Cc1ccc2nc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000006537144 570482772 /nfs/dbraw/zinc/48/27/72/570482772.db2.gz FZUUMOITZDSEMQ-FQEVSTJZSA-N 0 1 391.471 5.483 50 0 GKAAMN FC(F)(F)c1n[nH]c(-c2ccc3c(c2)OCO3)c1C12CC3CC(CC(C3)C1)C2 ZINC000006565645 570483572 /nfs/dbraw/zinc/48/35/72/570483572.db2.gz NMNYLOSAKJLWSZ-UHFFFAOYSA-N 0 1 390.405 5.292 50 0 GKAAMN COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccc(Cl)cc1 ZINC000007525189 570507014 /nfs/dbraw/zinc/50/70/14/570507014.db2.gz HJJCMNPPKIXUPS-UHFFFAOYSA-N 0 1 381.903 5.526 50 0 GKAAMN COCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018778 570518332 /nfs/dbraw/zinc/51/83/32/570518332.db2.gz NKJULPODNADZNF-UHFFFAOYSA-N 0 1 393.527 5.182 50 0 GKAAMN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008382848 570530204 /nfs/dbraw/zinc/53/02/04/570530204.db2.gz OIUFMAWVMYSEFZ-UHFFFAOYSA-N 0 1 386.344 6.041 50 0 GKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)CCC4CCCC4)cc3)[nH]c2c1 ZINC000032960921 570532055 /nfs/dbraw/zinc/53/20/55/570532055.db2.gz SXCXIDRUELMMAJ-UHFFFAOYSA-N 0 1 375.516 5.565 50 0 GKAAMN CC(C)Sc1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000064747841 570532615 /nfs/dbraw/zinc/53/26/15/570532615.db2.gz CMTRRIULBGCNNE-UHFFFAOYSA-N 0 1 398.962 5.251 50 0 GKAAMN COc1cc(CN2CCCC[C@@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000001193403 570535347 /nfs/dbraw/zinc/53/53/47/570535347.db2.gz RPBNMMZXDHWKHD-HSZRJFAPSA-N 0 1 388.511 5.396 50 0 GKAAMN COc1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1O ZINC000008743902 570539440 /nfs/dbraw/zinc/53/94/40/570539440.db2.gz QOCNIPVJLKXWLW-UHFFFAOYSA-N 0 1 376.843 5.778 50 0 GKAAMN Cc1ccc2nc(S[C@H](C(=O)NC3CCCCC3)c3ccccc3)[nH]c2c1 ZINC000008813333 570541948 /nfs/dbraw/zinc/54/19/48/570541948.db2.gz OJEKAPRBAZNOQF-FQEVSTJZSA-N 0 1 379.529 5.154 50 0 GKAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000005312365 570552162 /nfs/dbraw/zinc/55/21/62/570552162.db2.gz WOVVEWUNGKJBDL-CQSZACIVSA-N 0 1 385.920 5.082 50 0 GKAAMN CCCC(O)(CCC)c1ccc(CN(Cc2ccccc2OC)[C@@H](C)CC)o1 ZINC000036167794 570556750 /nfs/dbraw/zinc/55/67/50/570556750.db2.gz OQQBJGNMJQGHQO-IBGZPJMESA-N 0 1 387.564 5.877 50 0 GKAAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cc(Cl)ccc2C)on1 ZINC000064845348 570565137 /nfs/dbraw/zinc/56/51/37/570565137.db2.gz VBEWBTBAYURSQX-UHFFFAOYSA-N 0 1 396.921 5.091 50 0 GKAAMN O=C1[C@@]2(C[C@H]2c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@]12C[C@@H]2c1ccccc1 ZINC000036496931 570565371 /nfs/dbraw/zinc/56/53/71/570565371.db2.gz MXOGLMLNAHOAEG-GUDIABFTSA-N 0 1 393.530 5.419 50 0 GKAAMN O=C1[C@@]2(C[C@H]2c2ccccc2)CN(Cc2ccccc2)C[C@@]12C[C@@H]2c1ccccc1 ZINC000036496931 570565374 /nfs/dbraw/zinc/56/53/74/570565374.db2.gz MXOGLMLNAHOAEG-GUDIABFTSA-N 0 1 393.530 5.419 50 0 GKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cc(C)ccc2C)c1C ZINC000064845789 570565716 /nfs/dbraw/zinc/56/57/16/570565716.db2.gz VHBYHIBYKVCYMS-UHFFFAOYSA-N 0 1 390.530 5.054 50 0 GKAAMN COc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc1 ZINC000138449645 570565924 /nfs/dbraw/zinc/56/59/24/570565924.db2.gz QWCMRPZHHXHBQR-HXUWFJFHSA-N 0 1 393.464 5.020 50 0 GKAAMN CN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C1CCCCC1 ZINC000036204064 570568201 /nfs/dbraw/zinc/56/82/01/570568201.db2.gz FYMQGKUCTZYKAX-UHFFFAOYSA-N 0 1 387.936 5.070 50 0 GKAAMN CC(C)=CC(O)(C=C(C)C)c1ccc(CN(Cc2ccc(C)cc2)C2CC2)o1 ZINC000036202816 570568366 /nfs/dbraw/zinc/56/83/66/570568366.db2.gz RBSDZMWVWOFUHU-UHFFFAOYSA-N 0 1 379.544 5.873 50 0 GKAAMN c1ccc(C2(c3ccccc3)OC(CN3CCCCC3)=Nc3ccccc32)cc1 ZINC000034145078 570584319 /nfs/dbraw/zinc/58/43/19/570584319.db2.gz REEMHLGGPVZMMD-UHFFFAOYSA-N 0 1 382.507 5.525 50 0 GKAAMN Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000005409295 570586275 /nfs/dbraw/zinc/58/62/75/570586275.db2.gz RQDWUBPWKGKAFS-UHFFFAOYSA-N 0 1 391.268 5.879 50 0 aggregator GKAAMN Cc1n[nH]c(C)c1CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011839473 570586806 /nfs/dbraw/zinc/58/68/06/570586806.db2.gz MFVYFUGVPFPAOW-UHFFFAOYSA-N 0 1 391.563 5.107 50 0 GKAAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C1SCc2cc(C)c(C)cc2CS1 ZINC000136531332 570612829 /nfs/dbraw/zinc/61/28/29/570612829.db2.gz JWPRCKYRNREIRN-UHFFFAOYSA-N 0 1 396.581 5.578 50 0 GKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3F)C2)c(=O)o1 ZINC000005488494 570613819 /nfs/dbraw/zinc/61/38/19/570613819.db2.gz HJSQLYYMEUGKKG-LJQANCHMSA-N 0 1 381.428 5.151 50 0 GKAAMN Cc1cccc([C@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)c1 ZINC000036348405 570629725 /nfs/dbraw/zinc/62/97/25/570629725.db2.gz CXKMEZAJZTXQDO-QFIPXVFZSA-N 0 1 384.445 5.811 50 0 GKAAMN COc1cccc(CN2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1OC ZINC000036348131 570630896 /nfs/dbraw/zinc/63/08/96/570630896.db2.gz MOTYGWCHDHBPKZ-XMMPIXPASA-N 0 1 390.527 5.117 50 0 GKAAMN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CN1CCC[C@H]1c1ccccn1 ZINC000012298614 570634897 /nfs/dbraw/zinc/63/48/97/570634897.db2.gz CIBGXFGQENQASQ-DEOSSOPVSA-N 0 1 380.495 5.476 50 0 GKAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012299252 570635427 /nfs/dbraw/zinc/63/54/27/570635427.db2.gz QHQJFZBAAPVSJX-NRFANRHFSA-N 0 1 389.543 5.329 50 0 GKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000000843907 570647686 /nfs/dbraw/zinc/64/76/86/570647686.db2.gz VPUXCECKKXWIRW-OAQYLSRUSA-N 0 1 380.369 5.188 50 0 GKAAMN COc1ccc2cc(-c3n[nH]cc3CN3CCCC[C@H]3c3ccccn3)ccc2c1 ZINC000012430313 570658656 /nfs/dbraw/zinc/65/86/56/570658656.db2.gz CMJLYRSPJYHRDQ-DEOSSOPVSA-N 0 1 398.510 5.361 50 0 GKAAMN COc1ccc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)cc1OC ZINC000012480984 570674682 /nfs/dbraw/zinc/67/46/82/570674682.db2.gz LOJCWZWOMDXMRD-UHFFFAOYSA-N 0 1 392.499 5.079 50 0 GKAAMN Cc1ccc(-c2n[nH]cc2CNCc2cc(C(F)(F)F)ccc2F)cc1C ZINC000055118946 570683472 /nfs/dbraw/zinc/68/34/72/570683472.db2.gz OIEQLLJTMIVZOF-UHFFFAOYSA-N 0 1 377.385 5.141 50 0 GKAAMN COc1ccc(-n2ncc([C@@H](C)NCc3ccccc3C(F)(F)F)c2C)cc1 ZINC000055120429 570684105 /nfs/dbraw/zinc/68/41/05/570684105.db2.gz OMWIDJDARSQZKW-CQSZACIVSA-N 0 1 389.421 5.059 50 0 GKAAMN CCCCCCOc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055292135 570690171 /nfs/dbraw/zinc/69/01/71/570690171.db2.gz KOYJRKYBCPXUFH-UHFFFAOYSA-N 0 1 386.967 5.621 50 0 GKAAMN CCn1c2ccccc2c2cc(CN3CCN(c4ccccc4F)CC3)ccc21 ZINC000055543511 570696111 /nfs/dbraw/zinc/69/61/11/570696111.db2.gz GVMNXQSJPINVFE-UHFFFAOYSA-N 0 1 387.502 5.276 50 0 GKAAMN Clc1ccc(Oc2cccc(CN3CCN(c4ccccc4)CC3)c2)cc1 ZINC000055543881 570696848 /nfs/dbraw/zinc/69/68/48/570696848.db2.gz 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ZINC000013284578 570752573 /nfs/dbraw/zinc/75/25/73/570752573.db2.gz VGQIDHJBTXEVOG-UHFFFAOYSA-N 0 1 378.834 6.212 50 0 GKAAMN Fc1cccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1 ZINC000013284573 570752587 /nfs/dbraw/zinc/75/25/87/570752587.db2.gz RKOJDXQNKHMLAT-UHFFFAOYSA-N 0 1 383.253 6.857 50 0 GKAAMN FC(F)(F)c1ccc(Cl)c(-n2c(=S)[nH]nc2Cc2cccs2)c1 ZINC000013635385 570765164 /nfs/dbraw/zinc/76/51/64/570765164.db2.gz SFGIMRQXAOOZEM-UHFFFAOYSA-N 0 1 375.828 5.254 50 0 GKAAMN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1cc(C2CC2)n[nH]1 ZINC000067542286 570781385 /nfs/dbraw/zinc/78/13/85/570781385.db2.gz AHKOSFXAWHUXPI-UHFFFAOYSA-N 0 1 388.446 5.014 50 0 GKAAMN Cc1nc2cc(NCc3ccc(Cl)cc3Cl)ccc2n1Cc1ccccc1 ZINC000013806329 570791133 /nfs/dbraw/zinc/79/11/33/570791133.db2.gz JUWRYFVOXMCSGL-UHFFFAOYSA-N 0 1 396.321 6.312 50 0 GKAAMN COc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3n2C)cc1 ZINC000005901454 570802673 /nfs/dbraw/zinc/80/26/73/570802673.db2.gz IVKCDMJDLRUVIE-UHFFFAOYSA-N 0 1 380.451 5.306 50 0 GKAAMN CCOc1ccc2nc(SCC(=O)Nc3ccccc3[C@H](C)CC)[nH]c2c1 ZINC000006004266 570813459 /nfs/dbraw/zinc/81/34/59/570813459.db2.gz MVOSTOBOAUWDFZ-CQSZACIVSA-N 0 1 383.517 5.206 50 0 GKAAMN COc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1OC ZINC000006016668 570814429 /nfs/dbraw/zinc/81/44/29/570814429.db2.gz AVMMKZLFZHZUBA-UHFFFAOYSA-N 0 1 396.450 5.304 50 0 GKAAMN Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccc(Br)cc1 ZINC000004678145 570823697 /nfs/dbraw/zinc/82/36/97/570823697.db2.gz HSCXRRKYRIPVNL-UHFFFAOYSA-N 0 1 376.685 5.115 50 0 GKAAMN Cn1c(-c2ccccc2)cnc1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004678538 570824592 /nfs/dbraw/zinc/82/45/92/570824592.db2.gz RNXPDUSXULSPFI-UHFFFAOYSA-N 0 1 391.559 6.000 50 0 GKAAMN Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(Oc2ccccc2)c1 ZINC000004678584 570824722 /nfs/dbraw/zinc/82/47/22/570824722.db2.gz MFCQOSYEEVIFIJ-UHFFFAOYSA-N 0 1 389.886 6.145 50 0 GKAAMN COc1cc(CNc2ncc(-c3ccccc3)n2C)ccc1OCc1ccccc1 ZINC000004678547 570824895 /nfs/dbraw/zinc/82/48/95/570824895.db2.gz 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Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)s2)cs1 ZINC000033308393 570968172 /nfs/dbraw/zinc/96/81/72/570968172.db2.gz SNABFSQXBHVSBZ-UHFFFAOYSA-N 0 1 398.962 5.251 50 0 GKAAMN Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c(C)c1 ZINC000044837259 570978832 /nfs/dbraw/zinc/97/88/32/570978832.db2.gz HKOVRZNPDBANFP-UHFFFAOYSA-N 0 1 384.277 5.017 50 0 GKAAMN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838303 570978991 /nfs/dbraw/zinc/97/89/91/570978991.db2.gz IGFSZDKZMYYQSX-UHFFFAOYSA-N 0 1 391.858 5.453 50 0 GKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838156 570979065 /nfs/dbraw/zinc/97/90/65/570979065.db2.gz GFCAVYISYAUDAG-UHFFFAOYSA-N 0 1 382.250 5.789 50 0 GKAAMN Cc1ccc(-c2[nH]c(-c3c(F)cccc3Cl)nc2-c2ccccc2)cc1C ZINC000002206601 571004830 /nfs/dbraw/zinc/00/48/30/571004830.db2.gz VPDDBQCATOFNPF-UHFFFAOYSA-N 0 1 376.862 6.820 50 0 GKAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000091563504 571014999 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Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CCC(C)CC2)o1 ZINC000015860494 210174262 /nfs/dbraw/zinc/17/42/62/210174262.db2.gz CAUOIUCXIUJFAK-HXUWFJFHSA-N 0 1 394.515 5.154 50 0 GKAAMN Cc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CCC(C)CC2)o1 ZINC000015860493 210174289 /nfs/dbraw/zinc/17/42/89/210174289.db2.gz CAUOIUCXIUJFAK-FQEVSTJZSA-N 0 1 394.515 5.154 50 0 GKAAMN COc1cc(-c2nc(-c3ccsc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC ZINC000006693989 209670211 /nfs/dbraw/zinc/67/02/11/209670211.db2.gz PGCMWXNECIKZJQ-UHFFFAOYSA-N 0 1 392.480 5.498 50 0 GKAAMN CC(C)(C)c1cc(CN2CCCC[C@H]2c2cccnc2)cc(C(C)(C)C)c1O ZINC000004982703 209555358 /nfs/dbraw/zinc/55/53/58/209555358.db2.gz MFUNPNWIXSQHCJ-QFIPXVFZSA-N 0 1 380.576 6.109 50 0 GKAAMN CCOc1ccccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000002344324 209357262 /nfs/dbraw/zinc/35/72/62/209357262.db2.gz SADPLXXZOJMADM-UHFFFAOYSA-N 0 1 388.423 5.202 50 0 GKAAMN FC(F)(F)c1nc2ccc(Cc3ccc4[nH]c(C(F)(F)F)nc4c3)cc2[nH]1 ZINC000001440854 209328596 /nfs/dbraw/zinc/32/85/96/209328596.db2.gz IBUSPINQAQBUBG-UHFFFAOYSA-N 0 1 384.283 5.068 50 0 GKAAMN FC(F)(F)c1nc2ccc(Cc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1 ZINC000001440854 209328599 /nfs/dbraw/zinc/32/85/99/209328599.db2.gz IBUSPINQAQBUBG-UHFFFAOYSA-N 0 1 384.283 5.068 50 0 GKAAMN COc1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc(OC)c1OC ZINC000001219768 209316245 /nfs/dbraw/zinc/31/62/45/209316245.db2.gz HQRXJYKGUASHGB-UHFFFAOYSA-N 0 1 392.480 5.498 50 0 GKAAMN O=c1ccc2ccc(O)c(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)c2o1 ZINC000000688067 212175527 /nfs/dbraw/zinc/17/55/27/212175527.db2.gz OZAPMFWNGGEYTR-OAQYLSRUSA-N 0 1 399.471 5.857 50 0 GKAAMN COc1ccc([C@@H]2CCCCCN2[C@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000036385376 212119424 /nfs/dbraw/zinc/11/94/24/212119424.db2.gz DQCSMRNKPJZMOD-UTKZUKDTSA-N 0 1 377.488 5.424 50 0 GKAAMN CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc3ccccc3s1)[C@]2([O-])C(F)(F)F ZINC000036056941 212111175 /nfs/dbraw/zinc/11/11/75/212111175.db2.gz CEBFJVCUBNTZND-FTLABTOESA-N 0 1 397.466 5.186 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GNIMIYRWWGDVBF-UHFFFAOYSA-N 0 1 379.525 5.435 50 0 GKAAMN Oc1ccc(C2=CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000023200369 570350018 /nfs/dbraw/zinc/35/00/18/570350018.db2.gz AKCIDTBAVUDYQG-UHFFFAOYSA-N 0 1 387.508 5.058 50 0 GKAAMN c1ccc(Oc2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1 ZINC000003666995 570350047 /nfs/dbraw/zinc/35/00/47/570350047.db2.gz VWEBLZYZADTESA-UHFFFAOYSA-N 0 1 388.470 7.203 50 0 GKAAMN Cc1ccsc1C(=CCC[N@H+]1CCC[C@@H](C(=O)[O-])C1)c1sccc1C ZINC000003831531 570351234 /nfs/dbraw/zinc/35/12/34/570351234.db2.gz PBJUNZJWGZTSKL-MRXNPFEDSA-N 0 1 375.559 5.045 50 0 fda GKAAMN Cc1ccccc1-c1noc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000023990150 570376286 /nfs/dbraw/zinc/37/62/86/570376286.db2.gz FYJUUDVGFHMHGG-MRXNPFEDSA-N 0 1 390.512 5.034 50 0 GKAAMN Cc1ccc(-c2cc(-c3nc(-c4ccccc4Br)no3)[nH]n2)cc1C ZINC000035504182 570378616 /nfs/dbraw/zinc/37/86/16/570378616.db2.gz YDEFNGSOCURFPJ-UHFFFAOYSA-N 0 1 395.260 5.173 50 0 GKAAMN c1cc(-c2nc(CN[C@H](Cc3ccccc3)c3ccccc3)cs2)cs1 ZINC000024734486 570390682 /nfs/dbraw/zinc/39/06/82/570390682.db2.gz BKMSZYDOPKMOHD-OAQYLSRUSA-N 0 1 376.550 5.945 50 0 GKAAMN Clc1ccc([C@H]2[C@@H]3CCCC[C@]3(N3CCCC3)ON2c2ccccc2)cc1 ZINC000004671106 570391741 /nfs/dbraw/zinc/39/17/41/570391741.db2.gz VTHPIPJKAPTIFC-VABKMULXSA-N 0 1 382.935 5.815 50 0 GKAAMN Clc1ccc([C@@H]2[C@@H]3CCCC[C@]3(N3CCCC3)ON2c2ccccc2)cc1 ZINC000004671105 570391866 /nfs/dbraw/zinc/39/18/66/570391866.db2.gz VTHPIPJKAPTIFC-ZRBLBEILSA-N 0 1 382.935 5.815 50 0 GKAAMN Cc1cccc(Cn2cccc2CN(CCC(C)C)Cc2ccccc2F)c1 ZINC000005100382 570416840 /nfs/dbraw/zinc/41/68/40/570416840.db2.gz FIMAHMUFBZWSGY-UHFFFAOYSA-N 0 1 378.535 6.032 50 0 GKAAMN Cc1ccc(-n2c(CCn3c4ccccc4c4c3CCCC4)n[nH]c2=S)cc1 ZINC000005584165 570447916 /nfs/dbraw/zinc/44/79/16/570447916.db2.gz MKIVBLOEALYQGQ-UHFFFAOYSA-N 0 1 388.540 5.315 50 0 GKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000028287803 570454556 /nfs/dbraw/zinc/45/45/56/570454556.db2.gz GKTLHMHNEFVDME-INIZCTEOSA-N 0 1 388.920 5.023 50 0 GKAAMN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000028293267 570457027 /nfs/dbraw/zinc/45/70/27/570457027.db2.gz PXSITLVAWQGVJE-SFHVURJKSA-N 0 1 382.529 5.068 50 0 GKAAMN Cc1ccc(CN(Cc2cccn2Cc2ccccc2C)Cc2ccccc2)cc1 ZINC000035841100 570463883 /nfs/dbraw/zinc/46/38/83/570463883.db2.gz GKILOOFTTIDBCP-UHFFFAOYSA-N 0 1 394.562 6.356 50 0 GKAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3c(F)cccc3Cl)cc(O)c12 ZINC000006230908 570472494 /nfs/dbraw/zinc/47/24/94/570472494.db2.gz YTUYDLDLDVQIME-UHFFFAOYSA-N 0 1 396.801 5.537 50 0 biogenic GKAAMN CCOc1ccc(Cl)cc1CSc1nc(-c2ccccc2OCC)n[nH]1 ZINC000006573752 570483850 /nfs/dbraw/zinc/48/38/50/570483850.db2.gz QPPHVODAANUBNU-UHFFFAOYSA-N 0 1 389.908 5.215 50 0 GKAAMN COc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1OCc1cccnc1 ZINC000030545635 570490865 /nfs/dbraw/zinc/49/08/65/570490865.db2.gz DTESKIKVQXTSBT-QGZVFWFLSA-N 0 1 388.467 5.266 50 0 GKAAMN COc1ccc(CNCc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 ZINC000007538317 570507465 /nfs/dbraw/zinc/50/74/65/570507465.db2.gz SNHDYGFFBBAIRN-UHFFFAOYSA-N 0 1 397.902 5.226 50 0 GKAAMN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc3cccnc32)[nH]c1-c1ccccc1 ZINC000072305871 570520923 /nfs/dbraw/zinc/52/09/23/570520923.db2.gz XPTDSISHNCXIIB-FQEVSTJZSA-N 0 1 397.482 5.302 50 0 GKAAMN Cc1nc([C@H]2CCCN2C(=O)Nc2cccc3cccnc32)[nH]c1-c1ccccc1 ZINC000072305872 570520931 /nfs/dbraw/zinc/52/09/31/570520931.db2.gz XPTDSISHNCXIIB-HXUWFJFHSA-N 0 1 397.482 5.302 50 0 GKAAMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000006654495 570521079 /nfs/dbraw/zinc/52/10/79/570521079.db2.gz DNGMCPXIXFCQMD-UHFFFAOYSA-N 0 1 394.584 5.261 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2cccc(C(F)(F)F)c2)n1 ZINC000005254233 570529953 /nfs/dbraw/zinc/52/99/53/570529953.db2.gz BZAGYGVYUZIXSA-UHFFFAOYSA-N 0 1 382.341 5.814 50 0 GKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)CCc4ccccc4)cc3)[nH]c2c1 ZINC000032960960 570532081 /nfs/dbraw/zinc/53/20/81/570532081.db2.gz PPZVTIPYZVWTMX-UHFFFAOYSA-N 0 1 383.495 5.228 50 0 GKAAMN CCOc1ccc(C(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000032960962 570532153 /nfs/dbraw/zinc/53/21/53/570532153.db2.gz BTINZBAAGXRXTE-UHFFFAOYSA-N 0 1 399.494 5.308 50 0 GKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)CC4CCCCC4)cc3)[nH]c2c1 ZINC000032960973 570532574 /nfs/dbraw/zinc/53/25/74/570532574.db2.gz TUTSRELBYJGWNK-UHFFFAOYSA-N 0 1 375.516 5.565 50 0 GKAAMN CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O ZINC000034230491 570532798 /nfs/dbraw/zinc/53/27/98/570532798.db2.gz FDATWRLUYRHCJE-UHFFFAOYSA-N 0 1 397.515 5.207 50 0 world GKAAMN Cc1ccc(C)c(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1 ZINC000008740634 570538810 /nfs/dbraw/zinc/53/88/10/570538810.db2.gz HPNBWJYMVMJSGP-UHFFFAOYSA-N 0 1 393.317 7.334 50 0 GKAAMN CCc1n[nH]c(-c2ccccc2Cl)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034796405 570544504 /nfs/dbraw/zinc/54/45/04/570544504.db2.gz SMBOANFOPFCTAZ-UHFFFAOYSA-N 0 1 393.796 5.564 50 0 GKAAMN CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(c1nc(-c3ccccc3)cs1)[NH2+]2 ZINC000005274989 570547899 /nfs/dbraw/zinc/54/78/99/570547899.db2.gz LAORYDCCCIFVJH-DFHBCGBQSA-N 0 1 395.450 5.063 50 0 GKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000006752927 570571942 /nfs/dbraw/zinc/57/19/42/570571942.db2.gz FPCGEKHGGMCHDN-JOCHJYFZSA-N 0 1 389.499 5.035 50 0 GKAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000006753005 570572010 /nfs/dbraw/zinc/57/20/10/570572010.db2.gz PEMGRQTUVXIFFQ-HSZRJFAPSA-N 0 1 389.499 5.251 50 0 GKAAMN Cc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)cc1C ZINC000037522484 570572881 /nfs/dbraw/zinc/57/28/81/570572881.db2.gz UFGKNYZIXSUDCI-QHCPKHFHSA-N 0 1 398.472 6.119 50 0 GKAAMN O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000011911942 570592356 /nfs/dbraw/zinc/59/23/56/570592356.db2.gz NVANLKPETRTQFR-UYOCQKMUSA-N 0 1 397.522 5.148 50 0 GKAAMN Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C[C@H]1CC=CCC1)C2 ZINC000012209442 570626695 /nfs/dbraw/zinc/62/66/95/570626695.db2.gz KXGOHKLMTDUCGL-INIZCTEOSA-N 0 1 392.524 5.220 50 0 GKAAMN COc1cccc(-c2nc3ccccc3c(Oc3cccc(Cl)c3)n2)c1O ZINC000005533313 570627899 /nfs/dbraw/zinc/62/78/99/570627899.db2.gz JQXPVAQAXJYUSN-UHFFFAOYSA-N 0 1 378.815 5.457 50 0 GKAAMN Cc1[nH]c(SCc2cc(Cl)cc3c2OCOC3)nc1Cc1ccccc1 ZINC000004492538 570628344 /nfs/dbraw/zinc/62/83/44/570628344.db2.gz WUVHGPKUXXQXPR-UHFFFAOYSA-N 0 1 386.904 5.121 50 0 GKAAMN COc1ccc(OC)c(CN2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348134 570630711 /nfs/dbraw/zinc/63/07/11/570630711.db2.gz RQONBWWAEZTKLP-VWLOTQADSA-N 0 1 390.527 5.117 50 0 GKAAMN CCc1ccccc1[C@H]1c2cccn2CCCN1Cc1cc(OC)cc(OC)c1 ZINC000036348574 570630762 /nfs/dbraw/zinc/63/07/62/570630762.db2.gz JRWJJQSSGBJAJE-VWLOTQADSA-N 0 1 390.527 5.063 50 0 GKAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc4oc(C(C)C)nc4c3)[nH]c2c1 ZINC000012307367 570639909 /nfs/dbraw/zinc/63/99/09/570639909.db2.gz DQDUDXUPZAUYOJ-IBGZPJMESA-N 0 1 388.471 5.113 50 0 GKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 ZINC000000843906 570647670 /nfs/dbraw/zinc/64/76/70/570647670.db2.gz DQZDMNFUDTZMML-NRFANRHFSA-N 0 1 396.824 5.702 50 0 GKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(C)cc3Cl)n2)c1O ZINC000005561680 570648296 /nfs/dbraw/zinc/64/82/96/570648296.db2.gz IYSCOSJKXPWJMD-UHFFFAOYSA-N 0 1 392.842 5.765 50 0 GKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccccc3Cl)n2)c1O ZINC000005576509 570659358 /nfs/dbraw/zinc/65/93/58/570659358.db2.gz FMXNZXLQVWXGQU-UHFFFAOYSA-N 0 1 378.815 5.457 50 0 GKAAMN Cc1c2cc(C)ccc2oc1C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000012445733 570666087 /nfs/dbraw/zinc/66/60/87/570666087.db2.gz ISBXLMIPSVCVJR-UHFFFAOYSA-N 0 1 387.483 5.254 50 0 GKAAMN COc1cc2c(cc1NS(=O)(=O)c1ccc(C(C)C)cc1)oc1ccccc12 ZINC000005602511 570667717 /nfs/dbraw/zinc/66/77/17/570667717.db2.gz VTPVGVFOIVMSNT-UHFFFAOYSA-N 0 1 395.480 5.519 50 0 GKAAMN COc1cccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1 ZINC000005612105 570668667 /nfs/dbraw/zinc/66/86/67/570668667.db2.gz TWLXYYSTPFJSLI-HXUWFJFHSA-N 0 1 393.464 5.020 50 0 biogenic GKAAMN Cc1c([C@@H](C)NCc2cccc(OCc3ccccc3)c2)cnn1-c1ccccc1 ZINC000012476075 570673729 /nfs/dbraw/zinc/67/37/29/570673729.db2.gz ALFHSBRLQQHFBI-HXUWFJFHSA-N 0 1 397.522 5.611 50 0 GKAAMN CCOc1ccc(-c2nc(CN3CCC[C@H]3c3cccc(OC)c3)c(C)o2)cc1 ZINC000012573584 570681838 /nfs/dbraw/zinc/68/18/38/570681838.db2.gz YUPAMTGQBKYBNA-QHCPKHFHSA-N 0 1 392.499 5.394 50 0 GKAAMN S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1cc(Cl)cc(Cl)c1 ZINC000004623869 570701288 /nfs/dbraw/zinc/70/12/88/570701288.db2.gz ABSREEBFTAUWFL-UHFFFAOYSA-N 0 1 380.344 5.704 50 0 GKAAMN Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3Cl)c2)cc1 ZINC000017314501 570703989 /nfs/dbraw/zinc/70/39/89/570703989.db2.gz PSZIFQHZYOEEFK-KRWDZBQOSA-N 0 1 378.903 5.752 50 0 GKAAMN Cc1[nH]c(SCc2nc(-c3ccccc3Cl)no2)nc1Cc1ccccc1 ZINC000006931677 570709941 /nfs/dbraw/zinc/70/99/41/570709941.db2.gz NCTPWFNZRKLFDN-UHFFFAOYSA-N 0 1 396.903 5.305 50 0 GKAAMN C[C@H](NCC(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000058160469 570712384 /nfs/dbraw/zinc/71/23/84/570712384.db2.gz PVFZWFJADGZLKZ-INIZCTEOSA-N 0 1 398.428 5.662 50 0 GKAAMN CSc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000058159117 570712426 /nfs/dbraw/zinc/71/24/26/570712426.db2.gz YEFZNNAVSJTGMF-UHFFFAOYSA-N 0 1 381.541 5.579 50 0 GKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)o1 ZINC000013122482 570747462 /nfs/dbraw/zinc/74/74/62/570747462.db2.gz GLGGDGYWFOUPEA-IBGZPJMESA-N 0 1 381.428 5.151 50 0 GKAAMN Fc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 ZINC000013284566 570752681 /nfs/dbraw/zinc/75/26/81/570752681.db2.gz RVCRBNPVJHMESG-UHFFFAOYSA-N 0 1 383.253 6.857 50 0 GKAAMN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1Cl ZINC000013759358 570786251 /nfs/dbraw/zinc/78/62/51/570786251.db2.gz BUZOOTVRWDNERF-WWPVKYPJSA-N 0 1 385.935 5.217 50 0 GKAAMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1sc2ccccc2c1Cl ZINC000032761909 570800720 /nfs/dbraw/zinc/80/07/20/570800720.db2.gz DKGJGNIRHJVOBU-CQSZACIVSA-N 0 1 390.961 5.183 50 0 GKAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc1Cc1ccccc1 ZINC000004492555 570810009 /nfs/dbraw/zinc/81/00/09/570810009.db2.gz ULZCRPPUFDVDCR-CQSZACIVSA-N 0 1 385.920 5.082 50 0 GKAAMN O=S(=O)(Nc1cccc(-c2ccc3ccccc3n2)c1)c1ccccc1Cl ZINC000033113826 570812351 /nfs/dbraw/zinc/81/23/51/570812351.db2.gz KVRKEJSWCHCWSG-UHFFFAOYSA-N 0 1 394.883 5.356 50 0 GKAAMN Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cccc(F)c3)ccc2c1 ZINC000033113763 570812427 /nfs/dbraw/zinc/81/24/27/570812427.db2.gz HAIRKISPJUNEIU-UHFFFAOYSA-N 0 1 392.455 5.150 50 0 GKAAMN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1 ZINC000005691385 570812566 /nfs/dbraw/zinc/81/25/66/570812566.db2.gz LLMWUGSJSZJTGY-OAHLLOKOSA-N 0 1 383.517 5.006 50 0 GKAAMN CCOc1ccc2nc(SCC(=O)Nc3c(C)cccc3C(C)C)[nH]c2c1 ZINC000005691503 570812632 /nfs/dbraw/zinc/81/26/32/570812632.db2.gz QDZMJGSFGNRQSL-UHFFFAOYSA-N 0 1 383.517 5.124 50 0 GKAAMN Cn1c(-c2cccc(Cl)c2)cnc1NCc1cccc(Oc2ccccc2)c1 ZINC000004678234 570823683 /nfs/dbraw/zinc/82/36/83/570823683.db2.gz JCBLYBNKPQQXAW-UHFFFAOYSA-N 0 1 389.886 6.145 50 0 GKAAMN CSc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)cc1 ZINC000004678216 570823859 /nfs/dbraw/zinc/82/38/59/570823859.db2.gz IPZMBLGOUXEXPO-UHFFFAOYSA-N 0 1 388.334 5.184 50 0 GKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccccc1Cl ZINC000004678718 570824975 /nfs/dbraw/zinc/82/49/75/570824975.db2.gz RMHAFQYRTPXYKN-UHFFFAOYSA-N 0 1 376.685 5.115 50 0 GKAAMN CSc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000004678368 570824089 /nfs/dbraw/zinc/82/40/89/570824089.db2.gz QRTYGAGDDICTNW-UHFFFAOYSA-N 0 1 385.536 6.088 50 0 GKAAMN Cn1c(-c2ccc(Cl)cc2)cnc1NCc1c(F)cccc1Br ZINC000004678412 570824099 /nfs/dbraw/zinc/82/40/99/570824099.db2.gz BHEXJVLFVGWNRS-UHFFFAOYSA-N 0 1 394.675 5.254 50 0 GKAAMN CC(C)c1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)cc1 ZINC000004678286 570824113 /nfs/dbraw/zinc/82/41/13/570824113.db2.gz SCUDXCKJBAFXLU-UHFFFAOYSA-N 0 1 384.321 5.585 50 0 GKAAMN COc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1OC ZINC000004678473 570824221 /nfs/dbraw/zinc/82/42/21/570824221.db2.gz NITZRHZHFHCPKN-UHFFFAOYSA-N 0 1 399.494 5.383 50 0 GKAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1c(F)cccc1Cl ZINC000004678324 570824480 /nfs/dbraw/zinc/82/44/80/570824480.db2.gz MSMLNEHVYXOXPH-UHFFFAOYSA-N 0 1 394.675 5.254 50 0 GKAAMN Cc1ccc(-c2cnc(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1 ZINC000004678548 570824610 /nfs/dbraw/zinc/82/46/10/570824610.db2.gz QZCWYBYQSKCTIK-UHFFFAOYSA-N 0 1 383.495 5.587 50 0 GKAAMN COc1ccc(OC)c(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)c1 ZINC000004678691 570824753 /nfs/dbraw/zinc/82/47/53/570824753.db2.gz WJURWVVJVBMNES-UHFFFAOYSA-N 0 1 399.494 5.383 50 0 GKAAMN COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1c(F)cccc1Cl ZINC000004678799 570824804 /nfs/dbraw/zinc/82/48/04/570824804.db2.gz OYGIWUHIODRIEW-UHFFFAOYSA-N 0 1 394.277 5.255 50 0 GKAAMN Cc1ccc(-c2cnc(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1C ZINC000004678998 570825199 /nfs/dbraw/zinc/82/51/99/570825199.db2.gz NTYOKOAYVDRASC-UHFFFAOYSA-N 0 1 397.522 5.895 50 0 GKAAMN CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1ccccc1Cl ZINC000004679427 570825427 /nfs/dbraw/zinc/82/54/27/570825427.db2.gz RQDAHUBUEDFLMC-UHFFFAOYSA-N 0 1 383.923 6.014 50 0 GKAAMN Cc1cccc(OP(=O)(Nc2ccccn2)Oc2cccc(C)c2C)c1C ZINC000012523992 570829780 /nfs/dbraw/zinc/82/97/80/570829780.db2.gz DZMCEKGJPWJAMB-UHFFFAOYSA-N 0 1 382.400 5.993 50 0 GKAAMN C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000012534896 570835120 /nfs/dbraw/zinc/83/51/20/570835120.db2.gz YOFIIIZNPROVKG-HXUWFJFHSA-N 0 1 399.538 5.243 50 0 GKAAMN CCOc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)no3)[nH]n2)cc1Cl ZINC000032815309 570837588 /nfs/dbraw/zinc/83/75/88/570837588.db2.gz WATHBZIOEZHWFM-UHFFFAOYSA-N 0 1 380.835 5.154 50 0 GKAAMN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000004700266 570844155 /nfs/dbraw/zinc/84/41/55/570844155.db2.gz QVQNZDVPQBEWKT-UHFFFAOYSA-N 0 1 398.978 5.381 50 0 GKAAMN CNc1cc(C)nc(NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)n1 ZINC000071738621 570844741 /nfs/dbraw/zinc/84/47/41/570844741.db2.gz CVFRZGFTILSCDQ-UHFFFAOYSA-N 0 1 375.451 5.035 50 0 GKAAMN COc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000102665879 570856404 /nfs/dbraw/zinc/85/64/04/570856404.db2.gz XXUGVEJDYJXQNB-FATZIPQQSA-N 0 1 376.456 5.118 50 0 GKAAMN COc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000102665875 570856436 /nfs/dbraw/zinc/85/64/36/570856436.db2.gz XXUGVEJDYJXQNB-PSLXWICFSA-N 0 1 376.456 5.118 50 0 GKAAMN O=C(c1cnc2c(c1)c(-c1ccccc1)nn2-c1ccccc1)c1ccccc1O ZINC000003426107 570866474 /nfs/dbraw/zinc/86/64/74/570866474.db2.gz KUXWWNNTBYPAOT-UHFFFAOYSA-N 0 1 391.430 5.024 50 0 GKAAMN C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012568046 570871983 /nfs/dbraw/zinc/87/19/83/570871983.db2.gz ZRMOYBFYPALLGV-NVXWUHKLSA-N 0 1 390.512 5.287 50 0 GKAAMN CNc1nc(CN2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000072171124 570877586 /nfs/dbraw/zinc/87/75/86/570877586.db2.gz UDTYSMPDIJYGPK-OAHLLOKOSA-N 0 1 383.483 5.048 50 0 GKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2c(Cl)cccc2Cl)N3)C1 ZINC000004554061 570880699 /nfs/dbraw/zinc/88/06/99/570880699.db2.gz ZQRDBJYKDHZHEK-MRXNPFEDSA-N 0 1 396.343 5.250 50 0 GKAAMN COc1ccc(CC2CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000022347026 570887184 /nfs/dbraw/zinc/88/71/84/570887184.db2.gz FIEFZTDZCWTADA-UHFFFAOYSA-N 0 1 381.413 5.308 50 0 GKAAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000104150234 570896300 /nfs/dbraw/zinc/89/63/00/570896300.db2.gz RSAIJUQHHLPKPG-BVZFJXPGSA-N 0 1 398.462 5.850 50 0 GKAAMN CSc1nc(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)n[nH]1 ZINC000005720600 570903383 /nfs/dbraw/zinc/90/33/83/570903383.db2.gz BQAGZUCBEOZSHJ-UHFFFAOYSA-N 0 1 398.460 5.551 50 0 GKAAMN COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]n2)c1 ZINC000051315607 570907127 /nfs/dbraw/zinc/90/71/27/570907127.db2.gz CVLIIZPWIGRMEO-UHFFFAOYSA-N 0 1 385.423 5.130 50 0 GKAAMN O=C1c2ccccc2C(O)=C1c1cc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004494706 570935293 /nfs/dbraw/zinc/93/52/93/570935293.db2.gz TZRMETCNGAMLTB-UHFFFAOYSA-N 0 1 375.427 6.038 50 0 GKAAMN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1CCc1ccc(F)cc1 ZINC000017078103 570939421 /nfs/dbraw/zinc/93/94/21/570939421.db2.gz ZEKLZYPRUSDDMT-UHFFFAOYSA-N 0 1 382.485 5.169 50 0 GKAAMN Cc1cccc(Cn2cccc2CN(Cc2cccc(F)c2F)[C@H](C)C(C)C)c1 ZINC000004735738 570949844 /nfs/dbraw/zinc/94/98/44/570949844.db2.gz LSDNCVFVCJTSAR-HXUWFJFHSA-N 0 1 396.525 6.170 50 0 GKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)s2)sc1C ZINC000033290085 570960834 /nfs/dbraw/zinc/96/08/34/570960834.db2.gz XMWIHMHVPYEYKH-UHFFFAOYSA-N 0 1 396.534 5.045 50 0 GKAAMN Clc1ccccc1CN1CCC(Nc2ccc(Br)cc2)CC1 ZINC000004749412 570961545 /nfs/dbraw/zinc/96/15/45/570961545.db2.gz GYRXXWUGQMHKTD-UHFFFAOYSA-N 0 1 379.729 5.179 50 0 GKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C)C(c1ccccc1)=N2 ZINC000012699656 570965262 /nfs/dbraw/zinc/96/52/62/570965262.db2.gz UAUYNOHWCKZLJM-HSZRJFAPSA-N 0 1 378.479 5.294 50 0 GKAAMN Cc1c([C@@H](C)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cnn1C(C)C ZINC000252548997 570995089 /nfs/dbraw/zinc/99/50/89/570995089.db2.gz QOTGDXGEJBNDQL-MRXNPFEDSA-N 0 1 394.494 5.015 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccc(Cl)c3ccccc23)n1 ZINC000002205910 571004387 /nfs/dbraw/zinc/00/43/87/571004387.db2.gz CIFVIXKVBCSBAI-UHFFFAOYSA-N 0 1 398.849 6.601 50 0 GKAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000091563503 571014850 /nfs/dbraw/zinc/01/48/50/571014850.db2.gz XNNCVXHTEALJRH-NRFANRHFSA-N 0 1 381.426 5.112 50 0 GKAAMN CC(C)[C@@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(F)cc1 ZINC000084456312 571019073 /nfs/dbraw/zinc/01/90/73/571019073.db2.gz DKUXBLVMTHUVAO-HSZRJFAPSA-N 0 1 381.470 5.126 50 0 GKAAMN CC(C)[C@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(F)cc1 ZINC000084456310 571019169 /nfs/dbraw/zinc/01/91/69/571019169.db2.gz DKUXBLVMTHUVAO-QHCPKHFHSA-N 0 1 381.470 5.126 50 0 GKAAMN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c(OC)c1 ZINC000037523151 571024435 /nfs/dbraw/zinc/02/44/35/571024435.db2.gz TXOHAZKJUYRHBU-RUZDIDTESA-N 0 1 390.527 5.117 50 0 GKAAMN CCc1ccccc1CN1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037523536 571025143 /nfs/dbraw/zinc/02/51/43/571025143.db2.gz LPKLCQDVHJRAJS-HSZRJFAPSA-N 0 1 398.472 6.065 50 0 GKAAMN O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037559529 571031421 /nfs/dbraw/zinc/03/14/21/571031421.db2.gz BNKUZLUGURXSPK-UHFFFAOYSA-N 0 1 388.486 5.137 50 0 GKAAMN Cc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037560809 571031835 /nfs/dbraw/zinc/03/18/35/571031835.db2.gz XQIWBZNUIVINKU-UHFFFAOYSA-N 0 1 382.523 5.178 50 0 GKAAMN c1ccc(CN2CCCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)cc1 ZINC000002179586 209348746 /nfs/dbraw/zinc/34/87/46/209348746.db2.gz BOMULZWGJODZMX-MHZLTWQESA-N 0 1 398.594 6.972 50 0 GKAAMN CCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000002322036 209356189 /nfs/dbraw/zinc/35/61/89/209356189.db2.gz JNMBOTCAWAEZQM-MGNXDGSBSA-N 0 1 378.343 5.936 50 0 GKAAMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c(OC)c1 ZINC000002248371 209352113 /nfs/dbraw/zinc/35/21/13/209352113.db2.gz UHVXYEFHYUMLBZ-UHFFFAOYSA-N 0 1 390.870 6.081 50 0 GKAAMN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccccc1Cl ZINC000004084119 209231354 /nfs/dbraw/zinc/23/13/54/209231354.db2.gz CGAXGIVILAYNDK-ZTCOLXNVSA-N 0 1 399.962 5.607 50 0 GKAAMN COc1cc(-c2ccccc2C)cc2c1OCCN(Cc1sccc1C)C2 ZINC000299788102 212036975 /nfs/dbraw/zinc/03/69/75/212036975.db2.gz PYVWMRLGJKWDSF-UHFFFAOYSA-N 0 1 379.525 5.435 50 0 GKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1 ZINC000000952837 203867980 /nfs/dbraw/zinc/86/79/80/203867980.db2.gz WEQOINZUYNEWEH-UHFFFAOYSA-N 0 1 385.261 5.226 50 0 GKAAMN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCCC[C@H]4C)cc3)sc2c1 ZINC000003583558 204014175 /nfs/dbraw/zinc/01/41/75/204014175.db2.gz OCGQAWKDWIGXSD-MRXNPFEDSA-N 0 1 379.529 5.085 50 0 GKAAMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2ccc(OC)cc2[nH]1 ZINC000004273658 204035930 /nfs/dbraw/zinc/03/59/30/204035930.db2.gz YTALNWCCTVVKPM-KBPBESRZSA-N 0 1 383.517 5.204 50 0 GKAAMN CCOc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)cc1 ZINC000004413517 204044796 /nfs/dbraw/zinc/04/47/96/204044796.db2.gz FHUKIEHOLLEDHY-UHFFFAOYSA-N 0 1 382.891 5.003 50 0 GKAAMN Brc1ccc(CSc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000004663916 204060160 /nfs/dbraw/zinc/06/01/60/204060160.db2.gz OEBUSIYCCLXWRN-UHFFFAOYSA-N 0 1 398.123 5.380 50 0 GKAAMN c1c(-c2ccccc2)n[nH]c1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000005264286 204121379 /nfs/dbraw/zinc/12/13/79/204121379.db2.gz PCGLCEOSFUUXHF-UHFFFAOYSA-N 0 1 375.435 5.263 50 0 GKAAMN COc1cccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)c1 ZINC000005807316 204151907 /nfs/dbraw/zinc/15/19/07/204151907.db2.gz BLZCDZBQVSFDHO-UHFFFAOYSA-N 0 1 376.459 6.573 50 0 GKAAMN c1ccc(-c2[nH]c(-c3ccc4c(c3)OCO4)nc2-c2cccc3ccccc32)cc1 ZINC000005491466 204135433 /nfs/dbraw/zinc/13/54/33/204135433.db2.gz FUOXDNWWXCMIBV-UHFFFAOYSA-N 0 1 390.442 6.293 50 0 GKAAMN O=c1cc(OCc2ccccc2Cl)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000005528250 204137706 /nfs/dbraw/zinc/13/77/06/204137706.db2.gz SECDOUGPAGZXBJ-UHFFFAOYSA-N 0 1 378.811 5.398 50 0 biogenic GKAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3Cl)cc(O)c12 ZINC000005528250 204137708 /nfs/dbraw/zinc/13/77/08/204137708.db2.gz SECDOUGPAGZXBJ-UHFFFAOYSA-N 0 1 378.811 5.398 50 0 biogenic GKAAMN CC(C)(C)[C@H]1CCCC2=C1N=C1N=CNN1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000007699121 204246528 /nfs/dbraw/zinc/24/65/28/204246528.db2.gz NDHLSTZBSUTFHE-GMAHTHKFSA-N 0 1 384.527 5.713 50 0 GKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000009942410 204327982 /nfs/dbraw/zinc/32/79/82/204327982.db2.gz QXOLCMNTWOGMCO-UHFFFAOYSA-N 0 1 390.531 5.075 50 0 GKAAMN O=C(CC[C@H]1CCCN(Cc2ccc(Cl)s2)C1)Nc1ccccc1F ZINC000011934865 204361714 /nfs/dbraw/zinc/36/17/14/204361714.db2.gz HHOVNNGBIJEGAR-CQSZACIVSA-N 0 1 380.916 5.172 50 0 GKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(OCc2ccccc2)CC1 ZINC000011934163 204362938 /nfs/dbraw/zinc/36/29/38/204362938.db2.gz XZXXJNUDZGSWQG-UHFFFAOYSA-N 0 1 396.918 5.485 50 0 GKAAMN O=C1[C@@]2(C[C@@H]2c2ccccc2)CN(Cc2ccccc2)C[C@@]12C[C@@H]2c1ccccc1 ZINC000036496929 205018120 /nfs/dbraw/zinc/01/81/20/205018120.db2.gz MXOGLMLNAHOAEG-KECVVUEUSA-N 0 1 393.530 5.419 50 0 GKAAMN COc1cccc([C@@H]2c3cccn3CCCN2Cc2cc(C)cc(C)c2)c1OC ZINC000037523346 205027298 /nfs/dbraw/zinc/02/72/98/205027298.db2.gz UHMSMQXPNZLADZ-XMMPIXPASA-N 0 1 390.527 5.117 50 0 GKAAMN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c(Br)c1 ZINC000057412373 205156892 /nfs/dbraw/zinc/15/68/92/205156892.db2.gz DGPQWNYSUKVGPL-UHFFFAOYSA-N 0 1 390.668 5.053 50 0 GKAAMN C[C@@H](NCC(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000058160470 205165908 /nfs/dbraw/zinc/16/59/08/205165908.db2.gz PVFZWFJADGZLKZ-MRXNPFEDSA-N 0 1 398.428 5.662 50 0 GKAAMN c1ccc2c(c1)C=Cc1ccccc1C2NC1c2ccccc2C=Cc2ccccc21 ZINC000059062599 205178710 /nfs/dbraw/zinc/17/87/10/205178710.db2.gz OFFKQRRCBWRRFP-UHFFFAOYSA-N 0 1 397.521 7.123 50 0 GKAAMN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1Cl ZINC000002138244 209117065 /nfs/dbraw/zinc/11/70/65/209117065.db2.gz CGAXGIVILAYNDK-NKKJXINNSA-N 0 1 399.962 5.607 50 0 biogenic GKAAMN Cc1ccc(F)c(NS(=O)(=O)c2ccc(-c3nc(C(C)C)cs3)s2)c1 ZINC000064769484 205195920 /nfs/dbraw/zinc/19/59/20/205195920.db2.gz KCKCIQAJVHFKFC-UHFFFAOYSA-N 0 1 396.534 5.243 50 0 GKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000072099338 205303644 /nfs/dbraw/zinc/30/36/44/205303644.db2.gz VCJKWGUHKMCZDN-UHFFFAOYSA-N 0 1 399.825 5.445 50 0 GKAAMN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(O)c(Cl)c1 ZINC000029367708 206061286 /nfs/dbraw/zinc/06/12/86/206061286.db2.gz FNSQJTSPZMFRSQ-UHFFFAOYSA-N 0 1 394.883 5.498 50 0 GKAAMN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccccc1Cl ZINC000004084122 206293751 /nfs/dbraw/zinc/29/37/51/206293751.db2.gz CGAXGIVILAYNDK-QDSKXPNFSA-N 0 1 399.962 5.607 50 0 biogenic GKAAMN Cc1ccc(Sc2ncccc2NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000001043466 206345312 /nfs/dbraw/zinc/34/53/12/206345312.db2.gz PBOCISFXBMRHEZ-UHFFFAOYSA-N 0 1 398.553 5.465 50 0 GKAAMN O=C(CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1)c1ccc(Cl)cc1 ZINC000001047240 206346118 /nfs/dbraw/zinc/34/61/18/206346118.db2.gz ZYSGXGBOKOSQOH-UHFFFAOYSA-N 0 1 398.702 5.407 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccc(Cl)cc2Cl)n1 ZINC000001869065 206393041 /nfs/dbraw/zinc/39/30/41/206393041.db2.gz SXHGJDDVGSBEQQ-UHFFFAOYSA-N 0 1 383.234 6.102 50 0 GKAAMN COc1cccc(C(=O)[C@H](C(C)=O)[C@@H]2c3ccccc3Oc3ccc(F)cc32)c1 ZINC000100942968 211393814 /nfs/dbraw/zinc/39/38/14/211393814.db2.gz YZIXUZWWQQBTQZ-DHIUTWEWSA-N 0 1 390.410 5.160 50 0 GKAAMN Fc1ccc(C=Cc2n[nH]c(SCCCOc3ccc(Cl)cc3)n2)cc1 ZINC000098003819 211376632 /nfs/dbraw/zinc/37/66/32/211376632.db2.gz XCAQNTVDYIWTLU-WCIBSUBMSA-N 0 1 389.883 5.329 50 0 GKAAMN COc1cc(CN[C@H]2CCCOc3c(Cl)cccc32)ccc1OC(C)C ZINC000095420075 211239724 /nfs/dbraw/zinc/23/97/24/211239724.db2.gz DUVZRECTMHQMGI-SFHVURJKSA-N 0 1 375.896 5.139 50 0 GKAAMN Cc1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)cc1C ZINC000085659774 211177150 /nfs/dbraw/zinc/17/71/50/211177150.db2.gz YAPCXOYWJBNRKF-UHFFFAOYSA-N 0 1 384.361 5.429 50 0 GKAAMN Cc1ccc(Sc2nc(-c3ccccc3)nc3nc(-c4ccccc4)[nH]c32)cc1 ZINC000080345631 211157052 /nfs/dbraw/zinc/15/70/52/211157052.db2.gz FXKOVPYDSRODCE-UHFFFAOYSA-N 0 1 394.503 6.147 50 0 GKAAMN COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2sccc2C)C3)cc1 ZINC000014989657 207039378 /nfs/dbraw/zinc/03/93/78/207039378.db2.gz PVMAHKLLSRBCAA-UHFFFAOYSA-N 0 1 395.524 5.135 50 0 GKAAMN COc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1COCC(F)(F)F ZINC000015837134 207063156 /nfs/dbraw/zinc/06/31/56/207063156.db2.gz GQUZBIHBCQJZKQ-LJQANCHMSA-N 0 1 397.412 5.250 50 0 GKAAMN CCOc1ccccc1C(=O)Nc1cccc(CCc2nc3ccc(C)cc3[nH]2)c1 ZINC000015863596 207064337 /nfs/dbraw/zinc/06/43/37/207064337.db2.gz AKCFZCAKUHTJQA-UHFFFAOYSA-N 0 1 399.494 5.308 50 0 GKAAMN Cc1ccc2nc(CCc3cccc(NC(=O)c4ccccc4Cl)c3)[nH]c2c1 ZINC000015863607 207064481 /nfs/dbraw/zinc/06/44/81/207064481.db2.gz MZHNPRQPUWUCOU-UHFFFAOYSA-N 0 1 389.886 5.562 50 0 GKAAMN CCc1c(C)sc2c1CCN(Cc1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000015864892 207064971 /nfs/dbraw/zinc/06/49/71/207064971.db2.gz CDESZZGHFNFNOX-QFIPXVFZSA-N 0 1 381.972 6.420 50 0 GKAAMN Cc1ccsc1-c1nc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c(C)o1 ZINC000020294659 207187026 /nfs/dbraw/zinc/18/70/26/207187026.db2.gz SDQBFVWNDISINJ-INIZCTEOSA-N 0 1 393.512 5.541 50 0 GKAAMN Fc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1F ZINC000020598350 207205229 /nfs/dbraw/zinc/20/52/29/207205229.db2.gz CZPDLHATWPOPCA-AWEZNQCLSA-N 0 1 389.396 5.013 50 0 GKAAMN Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3c(F)cccc3F)C2)n1 ZINC000020600664 207206736 /nfs/dbraw/zinc/20/67/36/207206736.db2.gz ICNQLBTWWKXESD-KRWDZBQOSA-N 0 1 397.444 5.249 50 0 GKAAMN CCOc1ccc2c(c1)sc(=S)n2CN1CCC(c2ccccc2)CC1 ZINC000022027650 207245020 /nfs/dbraw/zinc/24/50/20/207245020.db2.gz KICCOZGRWSYIBK-UHFFFAOYSA-N 0 1 384.570 5.668 50 0 GKAAMN CCCCCN(C)Cc1csc(-c2cccc(-c3ccccc3OC)c2)n1 ZINC000023317313 207273209 /nfs/dbraw/zinc/27/32/09/207273209.db2.gz DUTMJBPETARGFP-UHFFFAOYSA-N 0 1 380.557 6.108 50 0 GKAAMN O=C(Cc1cccc2ccccc21)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000024927806 207297261 /nfs/dbraw/zinc/29/72/61/207297261.db2.gz SOPMZAVQSAKRHV-SANMLTNESA-N 0 1 391.474 5.164 50 0 GKAAMN Cn1cc(CN2CC[C@H]2c2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072462857 208030371 /nfs/dbraw/zinc/03/03/71/208030371.db2.gz AAGHKGHKLSISOT-VWLOTQADSA-N 0 1 395.506 5.826 50 0 GKAAMN Cc1ccc(-c2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)[nH]n2)c(C)c1 ZINC000085659770 208102447 /nfs/dbraw/zinc/10/24/47/208102447.db2.gz JRRKHVDDBNTAGK-UHFFFAOYSA-N 0 1 384.361 5.429 50 0 GKAAMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@@H]1CCCc2ccccc21 ZINC000084013998 208087632 /nfs/dbraw/zinc/08/76/32/208087632.db2.gz NIBKUHGOBZDWMB-OAQYLSRUSA-N 0 1 383.898 5.200 50 0 GKAAMN Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020917901 210368794 /nfs/dbraw/zinc/36/87/94/210368794.db2.gz YVZDBPRCBQRKGS-HNNXBMFYSA-N 0 1 379.485 5.232 50 0 GKAAMN Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC000020271729 210327817 /nfs/dbraw/zinc/32/78/17/210327817.db2.gz MMLJEVDZXPTNKX-GOSISDBHSA-N 0 1 381.907 5.124 50 0 GKAAMN Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC000020271729 210327820 /nfs/dbraw/zinc/32/78/20/210327820.db2.gz MMLJEVDZXPTNKX-GOSISDBHSA-N 0 1 381.907 5.124 50 0 GKAAMN CCCCC[C@@](O)(c1ccc(CC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020441054 210334394 /nfs/dbraw/zinc/33/43/94/210334394.db2.gz VVRNWCBRDVBEKY-CLJLJLNGSA-N 0 1 395.587 5.133 50 0 GKAAMN CCCC1CCC(c2ccc(-c3noc(-c4ccc(O)c(F)c4)n3)cc2)CC1 ZINC000003583679 220657802 /nfs/dbraw/zinc/65/78/02/220657802.db2.gz LRLLJOZGFVPHLD-UHFFFAOYSA-N 0 1 380.463 6.322 50 0 GKAAMN Cc1cc2oc(=O)cc(CN[C@H](c3cccs3)C(C)(C)CO)c2cc1C(C)C ZINC000242317046 209022514 /nfs/dbraw/zinc/02/25/14/209022514.db2.gz YWWKWRHJKGUNGI-JOCHJYFZSA-N 0 1 399.556 5.136 50 0 GKAAMN COc1ccccc1[C@H](C)NCc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000009338332 221078576 /nfs/dbraw/zinc/07/85/76/221078576.db2.gz RFMFGMNKLMILSW-AWEZNQCLSA-N 0 1 397.931 5.576 50 0 GKAAMN COc1cccc([C@@H]2CCCN2Cc2nc(-c3ccccc3OC)oc2C)c1 ZINC000011933820 221137776 /nfs/dbraw/zinc/13/77/76/221137776.db2.gz ZAEJNKLUJOLPRW-NRFANRHFSA-N 0 1 378.472 5.004 50 0 GKAAMN COc1ccc(-c2nc(CN(Cc3ccccc3)CC3CC3)c(C)o2)c(F)c1 ZINC000012439481 221196219 /nfs/dbraw/zinc/19/62/19/221196219.db2.gz GVKHEDPEYFYHGF-UHFFFAOYSA-N 0 1 380.463 5.210 50 0 GKAAMN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(Cc2ccoc2)CC1 ZINC000012710812 221219610 /nfs/dbraw/zinc/21/96/10/221219610.db2.gz MDEYQNQARYTISJ-UHFFFAOYSA-N 0 1 394.902 5.451 50 0 GKAAMN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012750578 221224722 /nfs/dbraw/zinc/22/47/22/221224722.db2.gz SKHIUGOCIGKCSJ-JKSUJKDBSA-N 0 1 389.524 5.228 50 0 GKAAMN Oc1c(Cl)cc(Cl)c2ccc(/C=C\c3cccc(Cl)c3Cl)nc12 ZINC000033748210 221794900 /nfs/dbraw/zinc/79/49/00/221794900.db2.gz GYLWMICVEURKJK-PLNGDYQASA-N 0 1 385.077 6.724 50 0 GKAAMN CC(=O)Nc1ccc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc1 ZINC000039552656 221891460 /nfs/dbraw/zinc/89/14/60/221891460.db2.gz ISCOZNFRBJKIMT-QGZVFWFLSA-N 0 1 398.510 5.143 50 0 GKAAMN COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(C)cc2)C3)cc1 ZINC000055283703 222021503 /nfs/dbraw/zinc/02/15/03/222021503.db2.gz UBQSMPGRVUYLTH-UHFFFAOYSA-N 0 1 389.495 5.074 50 0 GKAAMN FC(F)(F)c1cccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 ZINC000096024374 222373525 /nfs/dbraw/zinc/37/35/25/222373525.db2.gz SPSNUHATMCZEPW-UHFFFAOYSA-N 0 1 393.434 5.197 50 0 GKAAMN Clc1ccc([C@@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)cc1 ZINC000006178663 518194608 /nfs/dbraw/zinc/19/46/08/518194608.db2.gz OTQBDRKFBYNMLY-IBGZPJMESA-N 0 1 377.900 6.007 50 0 GKAAMN CCO[C@H](C)c1noc(CN(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000089984985 520488840 /nfs/dbraw/zinc/48/88/40/520488840.db2.gz YPPNRAANYOZJAS-NSISKUIASA-N 0 1 375.557 5.271 50 0 GKAAMN Cc1ccc(NC2=NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1C ZINC000005812901 525269415 /nfs/dbraw/zinc/26/94/15/525269415.db2.gz TZJKWVJRQNSISA-MRXNPFEDSA-N 0 1 379.312 5.263 50 0 GKAAMN Cc1ccc(NC2=NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1C ZINC000005812901 525269421 /nfs/dbraw/zinc/26/94/21/525269421.db2.gz TZJKWVJRQNSISA-MRXNPFEDSA-N 0 1 379.312 5.263 50 0 GKAAMN Cc1ccc(NC2=NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1C ZINC000005812906 525270048 /nfs/dbraw/zinc/27/00/48/525270048.db2.gz RKUBUGVKPXQMSK-OAHLLOKOSA-N 0 1 379.312 5.263 50 0 GKAAMN Cc1ccc(NC2=NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1C ZINC000005812906 525270060 /nfs/dbraw/zinc/27/00/60/525270060.db2.gz RKUBUGVKPXQMSK-OAHLLOKOSA-N 0 1 379.312 5.263 50 0 GKAAMN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O ZINC000003986227 560193073 /nfs/dbraw/zinc/19/30/73/560193073.db2.gz CHILCFMQWMQVAL-UHFFFAOYSA-N 0 1 383.675 5.336 50 0 in-vitro GKAAMN C[C@@H](c1cc(Cl)ccc1Sc1ccccc1Cl)N1CCN(C)CC1 ZINC000019802195 570220686 /nfs/dbraw/zinc/22/06/86/570220686.db2.gz QWTRVSNKAYGDCK-AWEZNQCLSA-N 0 1 381.372 5.453 50 0 GKAAMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000012810587 570225248 /nfs/dbraw/zinc/22/52/48/570225248.db2.gz HIHAZBDOOVQUIU-QWRGUYRKSA-N 0 1 388.792 5.176 50 0 GKAAMN Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)CN1CCCCC1 ZINC000000856729 570227320 /nfs/dbraw/zinc/22/73/20/570227320.db2.gz FTMIWMQSQFPLLB-AREMUKBSSA-N 0 1 390.571 5.302 50 0 GKAAMN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1)C1CCCCC1 ZINC000000911933 570229440 /nfs/dbraw/zinc/22/94/40/570229440.db2.gz ONNCAQNVAACIPR-UHFFFAOYSA-N 0 1 388.298 6.056 50 0 GKAAMN O=C(NCC1CC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023308254 570233933 /nfs/dbraw/zinc/23/39/33/570233933.db2.gz RMJGJLVEEKGMMT-UHFFFAOYSA-N 0 1 386.282 5.190 50 0 GKAAMN CCOc1cc(O)c(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2)cc1CC ZINC000001154454 570249531 /nfs/dbraw/zinc/24/95/31/570249531.db2.gz HGQJHETWPCMSPL-UHFFFAOYSA-N 0 1 376.378 5.429 50 0 GKAAMN Cc1oc(-c2ccccc2Cl)nc1CN1CCCN(c2ccccc2)CC1 ZINC000020455794 570259205 /nfs/dbraw/zinc/25/92/05/570259205.db2.gz PKNCTCQKNNPCRZ-UHFFFAOYSA-N 0 1 381.907 5.016 50 0 GKAAMN CC(=O)[C@@H](C(=O)c1ccc(F)cc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000100671620 570274631 /nfs/dbraw/zinc/27/46/31/570274631.db2.gz GFWZLBUJKQZGSQ-FGZHOGPDSA-N 0 1 378.374 5.291 50 0 GKAAMN Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)nc1 ZINC000006131052 570276109 /nfs/dbraw/zinc/27/61/09/570276109.db2.gz YVPNTRTUWNKEDB-UHFFFAOYSA-N 0 1 376.299 5.346 50 0 GKAAMN CCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc32)cc1 ZINC000005808122 570276814 /nfs/dbraw/zinc/27/68/14/570276814.db2.gz MXVLYCUCZMRAOU-UHFFFAOYSA-N 0 1 392.455 5.030 50 0 GKAAMN c1ccc(COc2ccccc2CNC(c2ccccc2)c2ccccc2)cc1 ZINC000002177936 570277211 /nfs/dbraw/zinc/27/72/11/570277211.db2.gz JJXFTIZNPAQTGB-UHFFFAOYSA-N 0 1 379.503 6.145 50 0 GKAAMN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000006178707 570282107 /nfs/dbraw/zinc/28/21/07/570282107.db2.gz PGMIUUAEEDRQFS-HUUCEWRRSA-N 0 1 380.517 5.105 50 0 GKAAMN c1csc(-c2nc(-c3cccc(Oc4ccccc4)c3)[nH]c2-c2ccccc2)c1 ZINC000002343892 570283502 /nfs/dbraw/zinc/28/35/02/570283502.db2.gz KOJAWJKERPFKES-UHFFFAOYSA-N 0 1 394.499 7.265 50 0 GKAAMN CCCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682993 570300686 /nfs/dbraw/zinc/30/06/86/570300686.db2.gz AGXVDSHZQQHBLJ-UHFFFAOYSA-N 0 1 384.951 5.446 50 0 GKAAMN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000034683005 570300745 /nfs/dbraw/zinc/30/07/45/570300745.db2.gz HBMAQFMKOAEVIU-UHFFFAOYSA-N 0 1 399.538 5.010 50 0 GKAAMN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683272 570300874 /nfs/dbraw/zinc/30/08/74/570300874.db2.gz NASWUTGUVBSDRF-UHFFFAOYSA-N 0 1 392.474 5.039 50 0 GKAAMN Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000034683355 570300976 /nfs/dbraw/zinc/30/09/76/570300976.db2.gz JCFQKOBYXOMNJE-UHFFFAOYSA-N 0 1 399.538 5.010 50 0 GKAAMN Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000034683321 570300987 /nfs/dbraw/zinc/30/09/87/570300987.db2.gz NFLZPWHABMDADB-UHFFFAOYSA-N 0 1 399.538 5.010 50 0 GKAAMN O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000002852487 570309156 /nfs/dbraw/zinc/30/91/56/570309156.db2.gz DDWLXAXXOQVXNI-UHFFFAOYSA-N 0 1 377.824 5.072 50 0 GKAAMN COc1ccc2nc(SCc3csc(Cc4ccc(C)cc4)n3)[nH]c2c1 ZINC000023425256 570323335 /nfs/dbraw/zinc/32/33/35/570323335.db2.gz OMDAZMNMQMLULG-UHFFFAOYSA-N 0 1 381.526 5.220 50 0 GKAAMN COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)c1 ZINC000023430181 570323466 /nfs/dbraw/zinc/32/34/66/570323466.db2.gz MIEQHBWOYASFIW-QGZVFWFLSA-N 0 1 397.478 5.243 50 0 GKAAMN O=C(NCc1ccco1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023458430 570324455 /nfs/dbraw/zinc/32/44/55/570324455.db2.gz QQAABKNQZOPDTH-UHFFFAOYSA-N 0 1 393.446 5.420 50 0 GKAAMN CC[C@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1ccccc1 ZINC000034793677 570336490 /nfs/dbraw/zinc/33/64/90/570336490.db2.gz SZBKAYGYLGZFIC-SFHVURJKSA-N 0 1 379.891 5.740 50 0 GKAAMN CC[C@@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1ccccc1 ZINC000034793679 570336676 /nfs/dbraw/zinc/33/66/76/570336676.db2.gz SZBKAYGYLGZFIC-GOSISDBHSA-N 0 1 379.891 5.740 50 0 GKAAMN O=C(Cc1ccccc1)Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000034795533 570337305 /nfs/dbraw/zinc/33/73/05/570337305.db2.gz XQUCFKAHFJXZPU-UHFFFAOYSA-N 0 1 385.389 5.154 50 0 GKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000034795840 570337359 /nfs/dbraw/zinc/33/73/59/570337359.db2.gz DDTWNXLTBACBPY-UHFFFAOYSA-N 0 1 395.453 5.782 50 0 GKAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2ccc(Cl)cc2)c1 ZINC000034796186 570337684 /nfs/dbraw/zinc/33/76/84/570337684.db2.gz NVZKZCBOHXSENF-UHFFFAOYSA-N 0 1 383.879 5.190 50 0 GKAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2cccc(Cl)c2)c1 ZINC000034796204 570337808 /nfs/dbraw/zinc/33/78/08/570337808.db2.gz JCNJMFQAFNQILD-UHFFFAOYSA-N 0 1 383.879 5.190 50 0 GKAAMN CC[C@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccccc1OC)c1ccccc1 ZINC000034796291 570337861 /nfs/dbraw/zinc/33/78/61/570337861.db2.gz PASKQCGHGJOQCS-KRWDZBQOSA-N 0 1 375.472 5.095 50 0 GKAAMN CC[C@@H](C(=O)Nc1c(C2CC2)n[nH]c1-c1ccccc1OC)c1ccccc1 ZINC000034796292 570337884 /nfs/dbraw/zinc/33/78/84/570337884.db2.gz PASKQCGHGJOQCS-QGZVFWFLSA-N 0 1 375.472 5.095 50 0 GKAAMN COc1ccccc1NC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1 ZINC000034796554 570338196 /nfs/dbraw/zinc/33/81/96/570338196.db2.gz VFWFSBMHTABBJM-UHFFFAOYSA-N 0 1 382.851 5.260 50 0 GKAAMN Cc1cccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)c1 ZINC000032948509 570341162 /nfs/dbraw/zinc/34/11/62/570341162.db2.gz QELXBQMQGHKZOP-UHFFFAOYSA-N 0 1 397.550 5.106 50 0 GKAAMN C[C@H]1CCCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)C1 ZINC000034915679 570344557 /nfs/dbraw/zinc/34/45/57/570344557.db2.gz HVZWHHMRUSAEKV-HNNXBMFYSA-N 0 1 379.891 5.269 50 0 GKAAMN O=C(C[C@@H]1C=CCC1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000023360038 570356685 /nfs/dbraw/zinc/35/66/85/570356685.db2.gz BQBLJTBKTZTOMX-JLTOFOAXSA-N 0 1 399.416 5.144 50 0 GKAAMN CCCCCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000004394002 570373394 /nfs/dbraw/zinc/37/33/94/570373394.db2.gz ALNKTGWZCVNRRY-UHFFFAOYSA-N 0 1 399.947 5.833 50 0 GKAAMN Fc1ccc(-c2cnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000023955911 570375807 /nfs/dbraw/zinc/37/58/07/570375807.db2.gz KOWKPXGAGYAEJM-MRXNPFEDSA-N 0 1 393.487 5.470 50 0 GKAAMN c1csc(-c2cc(CN3CCC[C@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000023995561 570376628 /nfs/dbraw/zinc/37/66/28/570376628.db2.gz NTMHIMYHBHOQPU-AWEZNQCLSA-N 0 1 381.526 5.392 50 0 GKAAMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000229159748 570377552 /nfs/dbraw/zinc/37/75/52/570377552.db2.gz CJUOCLDYUCOARO-OXJNMPFZSA-N 0 1 394.515 5.120 50 0 GKAAMN CCCCCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)[nH]n2)cc1 ZINC000004517589 570380840 /nfs/dbraw/zinc/38/08/40/570380840.db2.gz HHEKINVOCSMFSM-UHFFFAOYSA-N 0 1 383.879 5.551 50 0 GKAAMN Cc1cccc(N=C2C[C@H](c3ccc(C(C)C)cc3)N(c3cccc(C)c3)C2=O)c1 ZINC000004628728 570388670 /nfs/dbraw/zinc/38/86/70/570388670.db2.gz UQJVXSHRNNOGNJ-AREMUKBSSA-N 0 1 396.534 6.511 50 0 GKAAMN Clc1cccc(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)c1 ZINC000004713531 570397264 /nfs/dbraw/zinc/39/72/64/570397264.db2.gz RZHFCIBSCFCYEE-UHFFFAOYSA-N 0 1 380.878 7.217 50 0 GKAAMN CN(C)[C@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccs1 ZINC000032970917 570398033 /nfs/dbraw/zinc/39/80/33/570398033.db2.gz JASVISNSBPMERP-CTNGQTDRSA-N 0 1 396.581 5.001 50 0 GKAAMN Cc1ccc(C)c(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC000004981066 570421201 /nfs/dbraw/zinc/42/12/01/570421201.db2.gz QJFDLBHFUJRUFX-UHFFFAOYSA-N 0 1 386.539 5.205 50 0 GKAAMN CCCCCCOc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000004980541 570421235 /nfs/dbraw/zinc/42/12/35/570421235.db2.gz SDJMCWHVOQKUJU-UHFFFAOYSA-N 0 1 380.576 5.585 50 0 GKAAMN Clc1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000004981092 570421320 /nfs/dbraw/zinc/42/13/20/570421320.db2.gz MDAYHRJFNRIIQM-UHFFFAOYSA-N 0 1 392.930 5.241 50 0 GKAAMN C[S@@](=O)c1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 ZINC000005116010 570429729 /nfs/dbraw/zinc/42/97/29/570429729.db2.gz GABQPFWIQFRJSE-QFIPXVFZSA-N 0 1 375.664 5.053 50 0 GKAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cccc2ccccc21 ZINC000027581300 570436546 /nfs/dbraw/zinc/43/65/46/570436546.db2.gz JXGYEDCOEWDQII-QFIPXVFZSA-N 0 1 378.903 5.060 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccc(-c3ccccc3)cc2)n1 ZINC000001875975 570438566 /nfs/dbraw/zinc/43/85/66/570438566.db2.gz BVNVWEDCKQXNHC-UHFFFAOYSA-N 0 1 390.442 6.462 50 0 GKAAMN Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1=NN=C(c2ccc(Cl)cc2)[C@@H]1C ZINC000005675647 570451050 /nfs/dbraw/zinc/45/10/50/570451050.db2.gz WNFRVPGJIFLLMJ-TXEJJXNPSA-N 0 1 383.282 5.283 50 0 GKAAMN Cc1c(C2=NN=C(c3ccc(Cl)cc3)[C@H]2C)n[nH]c1-c1ccc(Cl)cc1 ZINC000005675647 570451055 /nfs/dbraw/zinc/45/10/55/570451055.db2.gz WNFRVPGJIFLLMJ-TXEJJXNPSA-N 0 1 383.282 5.283 50 0 GKAAMN Cc1c(C2=NN=C(c3ccc(Cl)cc3)[C@@H]2C)n[nH]c1-c1ccc(Cl)cc1 ZINC000005675639 570451148 /nfs/dbraw/zinc/45/11/48/570451148.db2.gz WNFRVPGJIFLLMJ-RYUDHWBXSA-N 0 1 383.282 5.283 50 0 GKAAMN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000028287055 570454214 /nfs/dbraw/zinc/45/42/14/570454214.db2.gz RBXZSFOPOOBJHF-IBGZPJMESA-N 0 1 396.556 5.377 50 0 GKAAMN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 ZINC000028287053 570454248 /nfs/dbraw/zinc/45/42/48/570454248.db2.gz RBXZSFOPOOBJHF-LJQANCHMSA-N 0 1 396.556 5.377 50 0 GKAAMN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1sc2ccccc2c1Cl ZINC000028291419 570455949 /nfs/dbraw/zinc/45/59/49/570455949.db2.gz LTSHZIQVZSOVCT-SFHVURJKSA-N 0 1 398.959 5.512 50 0 GKAAMN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 ZINC000028293713 570457628 /nfs/dbraw/zinc/45/76/28/570457628.db2.gz SIRRWOONUJGKKE-LJQANCHMSA-N 0 1 396.556 5.377 50 0 GKAAMN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCc2ccccc21 ZINC000029482963 570474709 /nfs/dbraw/zinc/47/47/09/570474709.db2.gz ZQMYMCXYXYGOJC-KRWDZBQOSA-N 0 1 383.706 5.205 50 0 GKAAMN COc1ccc2cc(CNCc3ccccc3OCc3cccnc3)ccc2c1 ZINC000030629280 570492253 /nfs/dbraw/zinc/49/22/53/570492253.db2.gz FUZNENUTJUWWJT-UHFFFAOYSA-N 0 1 384.479 5.112 50 0 GKAAMN Cc1ccc2nc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)[nH]c2c1 ZINC000005179707 570494942 /nfs/dbraw/zinc/49/49/42/570494942.db2.gz WDZSURIFJXAGNQ-UHFFFAOYSA-N 0 1 381.501 5.043 50 0 GKAAMN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000022673612 570501230 /nfs/dbraw/zinc/50/12/30/570501230.db2.gz CWXQIZGERPNLSH-UHFFFAOYSA-N 0 1 381.907 5.659 50 0 GKAAMN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000022674487 570501649 /nfs/dbraw/zinc/50/16/49/570501649.db2.gz UFBMXEJJACSJGZ-UHFFFAOYSA-N 0 1 377.488 5.015 50 0 GKAAMN COc1cc(CNCc2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000007523745 570507152 /nfs/dbraw/zinc/50/71/52/570507152.db2.gz ISCIZCRDZDDQMS-UHFFFAOYSA-N 0 1 392.282 5.464 50 0 GKAAMN O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002964128 570522638 /nfs/dbraw/zinc/52/26/38/570522638.db2.gz NHYLQXRJSJSYTO-UHFFFAOYSA-N 0 1 390.247 5.596 50 0 biogenic GKAAMN Cc1cc(-c2ccccc2)nc2oc(-c3n[nH]c(=S)n3-c3ccccc3)c(N)c21 ZINC000008382955 570530056 /nfs/dbraw/zinc/53/00/56/570530056.db2.gz JJSSJVNWHKKDMM-UHFFFAOYSA-N 0 1 399.479 5.296 50 0 GKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3)[nH]c2c1 ZINC000032961003 570532433 /nfs/dbraw/zinc/53/24/33/570532433.db2.gz SXOFZEPEBGPJEG-SFHVURJKSA-N 0 1 399.494 5.063 50 0 GKAAMN CCOc1ccccc1C(=O)Nc1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000032960964 570532705 /nfs/dbraw/zinc/53/27/05/570532705.db2.gz JOVPBXNJIHHFFN-UHFFFAOYSA-N 0 1 399.494 5.308 50 0 GKAAMN Cc1ccc(-c2csc3[nH]c(CN(C)C4CCCCC4)nc(=O)c23)cc1C ZINC000036203746 570568534 /nfs/dbraw/zinc/56/85/34/570568534.db2.gz WIGLVJFMASOOKD-UHFFFAOYSA-N 0 1 381.545 5.033 50 0 GKAAMN Cc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2C(F)(F)F)cc1C ZINC000037522483 570573018 /nfs/dbraw/zinc/57/30/18/570573018.db2.gz UFGKNYZIXSUDCI-HSZRJFAPSA-N 0 1 398.472 6.119 50 0 GKAAMN CC(=O)[C@@H](C(=O)c1ccc(F)cc1)[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000038190551 570579147 /nfs/dbraw/zinc/57/91/47/570579147.db2.gz GFWZLBUJKQZGSQ-YADHBBJMSA-N 0 1 378.374 5.291 50 0 GKAAMN CSc1nc2cc(Cl)c(Oc3ccc(Cl)c4ccccc34)cc2[nH]1 ZINC000001513626 570585190 /nfs/dbraw/zinc/58/51/90/570585190.db2.gz OSDDXEWTQZXREV-UHFFFAOYSA-N 0 1 375.280 6.537 50 0 GKAAMN Cc1cc2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2cc1Cl ZINC000003571911 570611969 /nfs/dbraw/zinc/61/19/69/570611969.db2.gz IPDHFXALLXXLIQ-UHFFFAOYSA-N 0 1 381.903 5.210 50 0 GKAAMN Cc1[nH]c(SCc2cc(=O)oc3cc(C)c(C)cc23)nc1Cc1ccccc1 ZINC000004492534 570628420 /nfs/dbraw/zinc/62/84/20/570628420.db2.gz RDWHBNVRXDGBMI-UHFFFAOYSA-N 0 1 390.508 5.324 50 0 GKAAMN COc1cccc(CN2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1OC ZINC000036348132 570630999 /nfs/dbraw/zinc/63/09/99/570630999.db2.gz MOTYGWCHDHBPKZ-DEOSSOPVSA-N 0 1 390.527 5.117 50 0 GKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@H](c2cccc(F)c2)N1c1ccc(F)cc1 ZINC000000843909 570647734 /nfs/dbraw/zinc/64/77/34/570647734.db2.gz FCQLEQDTHJPRRR-OAQYLSRUSA-N 0 1 380.369 5.188 50 0 GKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3C)n2)c1O ZINC000005562535 570648774 /nfs/dbraw/zinc/64/87/74/570648774.db2.gz HDAFUWSIPJDYMU-UHFFFAOYSA-N 0 1 392.842 5.765 50 0 GKAAMN COc1cccc(OC[C@H]2CCCN(Cc3nc(-c4ccsc4)oc3C)C2)c1 ZINC000012387203 570651895 /nfs/dbraw/zinc/65/18/95/570651895.db2.gz ZXYOUCOCVSIOHK-KRWDZBQOSA-N 0 1 398.528 5.011 50 0 GKAAMN Oc1ccccc1-c1nc(/C=C/c2c[nH]c3ccccc23)nc(-c2ccccc2)n1 ZINC000012408911 570655389 /nfs/dbraw/zinc/65/53/89/570655389.db2.gz HGQPCPHJXPXMIZ-CCEZHUSRSA-N 0 1 390.446 5.563 50 0 GKAAMN COc1cccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)c1 ZINC000005612099 570669489 /nfs/dbraw/zinc/66/94/89/570669489.db2.gz TWLXYYSTPFJSLI-FQEVSTJZSA-N 0 1 393.464 5.020 50 0 biogenic GKAAMN CCN(CC)[C@H](CNc1ncnc2sc(C)c(C)c21)c1ccccc1Cl ZINC000006880954 570676131 /nfs/dbraw/zinc/67/61/31/570676131.db2.gz APCJRRVDPNWPRC-QGZVFWFLSA-N 0 1 388.968 5.457 50 0 GKAAMN CCCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C[C@H]1CCCO1 ZINC000012570226 570680990 /nfs/dbraw/zinc/68/09/90/570680990.db2.gz WINAOSPMDROWPX-QGZVFWFLSA-N 0 1 382.426 5.060 50 0 GKAAMN Cc1ccc(C)c(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC000055292063 570690165 /nfs/dbraw/zinc/69/01/65/570690165.db2.gz XHGLBMCYPDKEHP-UHFFFAOYSA-N 0 1 386.539 5.205 50 0 GKAAMN Clc1cccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC000055292141 570690304 /nfs/dbraw/zinc/69/03/04/570690304.db2.gz UFLQUAHJJJTFSK-UHFFFAOYSA-N 0 1 392.930 5.241 50 0 GKAAMN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(C(F)(F)F)cc2)[C@@H]3CCC1 ZINC000055447671 570695654 /nfs/dbraw/zinc/69/56/54/570695654.db2.gz LPYCRSDEHJIWIV-JOCHJYFZSA-N 0 1 398.472 6.252 50 0 GKAAMN CC(C)(C)c1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000055543409 570695958 /nfs/dbraw/zinc/69/59/58/570695958.db2.gz YPVJVJLDWRDRHV-UHFFFAOYSA-N 0 1 398.566 5.449 50 0 GKAAMN Cc1ccccc1N1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000055543068 570696038 /nfs/dbraw/zinc/69/60/38/570696038.db2.gz PQJGUBXTDYGELW-UHFFFAOYSA-N 0 1 394.603 5.618 50 0 GKAAMN CCn1c2ccccc2c2cc(CN3CCN(c4ccccc4OC)CC3)ccc21 ZINC000055544090 570696821 /nfs/dbraw/zinc/69/68/21/570696821.db2.gz RWXVUJFTVSMPDR-UHFFFAOYSA-N 0 1 399.538 5.145 50 0 GKAAMN COCCCN(Cc1cccn1Cc1cccc(C)c1)Cc1ccc(F)c(F)c1 ZINC000004358192 570698146 /nfs/dbraw/zinc/69/81/46/570698146.db2.gz FDNLJFUOUZXWKE-UHFFFAOYSA-N 0 1 398.497 5.162 50 0 GKAAMN Cc1c([C@@H](C)NCc2cccc(OC3CCCC3)c2)cnn1-c1cccc(F)c1 ZINC000012709345 570701678 /nfs/dbraw/zinc/70/16/78/570701678.db2.gz BQVOHRUWRJGUIN-QGZVFWFLSA-N 0 1 393.506 5.492 50 0 GKAAMN Fc1ccc([C@@H](NC2CCCCCCC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000006916629 570703174 /nfs/dbraw/zinc/70/31/74/570703174.db2.gz POKQDNQWFJFPTO-OAQYLSRUSA-N 0 1 379.479 5.668 50 0 GKAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000017314991 570703522 /nfs/dbraw/zinc/70/35/22/570703522.db2.gz PNGNJVMRXCZHLZ-CQSZACIVSA-N 0 1 388.342 5.706 50 0 GKAAMN C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000017312207 570703958 /nfs/dbraw/zinc/70/39/58/570703958.db2.gz LNMXISDFVKLOHW-HNNXBMFYSA-N 0 1 382.866 5.582 50 0 GKAAMN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNCc1ccc(F)cc1 ZINC000017311073 570704003 /nfs/dbraw/zinc/70/40/03/570704003.db2.gz CSOXVGVKNMWQDK-UHFFFAOYSA-N 0 1 392.305 5.284 50 0 GKAAMN CC(C)Cc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006931732 570710277 /nfs/dbraw/zinc/71/02/77/570710277.db2.gz 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/nfs/dbraw/zinc/50/96/35/220509635.db2.gz RXFOIFNXARPGJI-UHFFFAOYSA-N 0 1 395.289 6.726 50 0 GKAAMN Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1 ZINC000002900961 220581402 /nfs/dbraw/zinc/58/14/02/220581402.db2.gz UCISDMVYLASYCE-UHFFFAOYSA-N 0 1 388.470 6.783 50 0 biogenic GKAAMN Fc1ccc(COc2ccccc2CNC(c2ccccc2)c2ccccc2)cc1 ZINC000003388252 220638881 /nfs/dbraw/zinc/63/88/81/220638881.db2.gz MOQCUBDQEXVTJA-UHFFFAOYSA-N 0 1 397.493 6.284 50 0 GKAAMN COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccccc1Cl ZINC000007525192 221000906 /nfs/dbraw/zinc/00/09/06/221000906.db2.gz KZPQESIDHQHUPH-UHFFFAOYSA-N 0 1 381.903 5.526 50 0 GKAAMN COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)c(OC)c1C ZINC000008691143 221049717 /nfs/dbraw/zinc/04/97/17/221049717.db2.gz BRBCZVKTIDMPOE-UHFFFAOYSA-N 0 1 388.442 5.875 50 0 GKAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011934263 221138233 /nfs/dbraw/zinc/13/82/33/221138233.db2.gz NBGOVIVPRQQPBO-GOSISDBHSA-N 0 1 387.955 5.138 50 0 GKAAMN Cc1ccc(C)c(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccccc2)c1 ZINC000013284543 221265450 /nfs/dbraw/zinc/26/54/50/221265450.db2.gz SZLSXVLLULZEPG-UHFFFAOYSA-N 0 1 393.317 7.334 50 0 GKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)o1 ZINC000013122647 221262132 /nfs/dbraw/zinc/26/21/32/221262132.db2.gz MYARBVKHZWNBII-IBGZPJMESA-N 0 1 397.883 5.665 50 0 GKAAMN COc1ccc(Cl)cc1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000017196681 221381235 /nfs/dbraw/zinc/38/12/35/221381235.db2.gz IGXXCUFDEZSSNX-UHFFFAOYSA-N 0 1 377.831 5.408 50 0 GKAAMN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1CCc1cccc(Cl)c1 ZINC000017081637 221378918 /nfs/dbraw/zinc/37/89/18/221378918.db2.gz FDMDVSRMXGPYSR-UHFFFAOYSA-N 0 1 398.940 5.684 50 0 GKAAMN Fc1ccc(N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)cc1 ZINC000055543479 132446322 /nfs/dbraw/zinc/44/63/22/132446322.db2.gz MAUQLILDNWECCE-UHFFFAOYSA-N 0 1 396.893 5.594 50 0 GKAAMN CN1CCN(c2ccc3c(c2)SCc2ccccc2[C@H]3c2ccccc2)CC1 ZINC000004115697 136193641 /nfs/dbraw/zinc/19/36/41/136193641.db2.gz 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ZINC000086048536 222325446 /nfs/dbraw/zinc/32/54/46/222325446.db2.gz CHQXFFYLIHZIHP-UHFFFAOYSA-N 0 1 396.922 5.119 50 0 GKAAMN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000096183718 222396782 /nfs/dbraw/zinc/39/67/82/222396782.db2.gz ZMAFSSRCWXFGEV-VWLOTQADSA-N 0 1 399.538 5.243 50 0 GKAAMN CCCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C(=O)OC)cc32)cc1 ZINC000005808059 520725379 /nfs/dbraw/zinc/72/53/79/520725379.db2.gz TXASJQWCGABPTQ-UHFFFAOYSA-N 0 1 392.455 5.030 50 0 GKAAMN Cc1ccc(C)c(N2CCN(Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000000756650 524124529 /nfs/dbraw/zinc/12/45/29/524124529.db2.gz KRLZFEOCONDAIE-UHFFFAOYSA-N 0 1 380.919 5.539 50 0 GKAAMN CC1=NC(=O)N[C@H](c2cccc3ccccc32)C1C(=O)OC1CCCCCCC1 ZINC000000715201 570219648 /nfs/dbraw/zinc/21/96/48/570219648.db2.gz GHLUHTGCQCIBNF-JOCHJYFZSA-N 0 1 392.499 5.124 50 0 GKAAMN COc1ccccc1NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000000752303 570222030 /nfs/dbraw/zinc/22/20/30/570222030.db2.gz ZAJGZKARFLQIND-UHFFFAOYSA-N 0 1 389.561 5.866 50 0 GKAAMN COc1ccc([C@@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000783557 570223219 /nfs/dbraw/zinc/22/32/19/570223219.db2.gz ZZXCINIXCYUYKC-QFIPXVFZSA-N 0 1 392.405 5.057 50 0 GKAAMN c1csc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000012185733 570229568 /nfs/dbraw/zinc/22/95/68/570229568.db2.gz PZGGVQZFKNEXNR-SFHVURJKSA-N 0 1 382.485 5.249 50 0 GKAAMN CC(=O)[C@H](C(=O)c1ccc(F)cc1)[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000001156089 570250328 /nfs/dbraw/zinc/25/03/28/570250328.db2.gz GFWZLBUJKQZGSQ-FCHUYYIVSA-N 0 1 378.374 5.291 50 0 GKAAMN COc1cccc([C@@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000001177840 570254449 /nfs/dbraw/zinc/25/44/49/570254449.db2.gz JZPDNXRVGAOZBS-QFIPXVFZSA-N 0 1 392.405 5.057 50 0 GKAAMN Cc1cccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1C ZINC000001226249 570259251 /nfs/dbraw/zinc/25/92/51/570259251.db2.gz AKGVOEWUXFQISV-UHFFFAOYSA-N 0 1 386.539 5.205 50 0 GKAAMN O=C1c2ccccc2[C@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N12 ZINC000100425195 570272268 /nfs/dbraw/zinc/27/22/68/570272268.db2.gz CYYJKHHAWOYZRN-PSLXWICFSA-N 0 1 398.487 5.925 50 0 GKAAMN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035277598 570280550 /nfs/dbraw/zinc/28/05/50/570280550.db2.gz SKHIUGOCIGKCSJ-HOTGVXAUSA-N 0 1 389.524 5.228 50 0 GKAAMN C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035277603 570280560 /nfs/dbraw/zinc/28/05/60/570280560.db2.gz SKHIUGOCIGKCSJ-CVEARBPZSA-N 0 1 389.524 5.228 50 0 GKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2cccc(Cl)c2Cl)n1 ZINC000002435300 570286886 /nfs/dbraw/zinc/28/68/86/570286886.db2.gz BMLQDILBOVXCGY-UHFFFAOYSA-N 0 1 383.234 6.102 50 0 GKAAMN Cc1ccc2nc(-c3cc4cc(C(C)(C)C)cc(C(C)(C)C)c4oc3=O)[nH]c2c1 ZINC000006917823 570297376 /nfs/dbraw/zinc/29/73/76/570297376.db2.gz YDVYMHKGPFSKQT-UHFFFAOYSA-N 0 1 388.511 6.240 50 0 GKAAMN Cc1[nH]c(SCc2nc(-c3ccc(Cl)cc3)no2)nc1Cc1ccccc1 ZINC000022041150 570303213 /nfs/dbraw/zinc/30/32/13/570303213.db2.gz XCPAGVYBOWWMRE-UHFFFAOYSA-N 0 1 396.903 5.305 50 0 GKAAMN O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000002858172 570310413 /nfs/dbraw/zinc/31/04/13/570310413.db2.gz QERMBGQKEWDPLS-UHFFFAOYSA-N 0 1 375.902 5.292 50 0 GKAAMN COc1cccc(C(=O)[C@@H](C(C)=O)[C@H]2c3ccccc3Oc3ccc(F)cc32)c1 ZINC000072188356 570312732 /nfs/dbraw/zinc/31/27/32/570312732.db2.gz YZIXUZWWQQBTQZ-GOTSBHOMSA-N 0 1 390.410 5.160 50 0 GKAAMN Fc1cccc(-c2ccc(CNCc3ccc(-c4cccc(F)c4)nc3)cn2)c1 ZINC000072233837 570319597 /nfs/dbraw/zinc/31/95/97/570319597.db2.gz FXZMOMRLMFVCRI-UHFFFAOYSA-N 0 1 387.433 5.379 50 0 GKAAMN CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023427562 570323138 /nfs/dbraw/zinc/32/31/38/570323138.db2.gz CQPUQVOUPJKNSC-UHFFFAOYSA-N 0 1 397.478 5.072 50 0 GKAAMN CC[C@H](COC)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023436992 570323292 /nfs/dbraw/zinc/32/32/92/570323292.db2.gz DLEUMAGMRJWSIY-HXUWFJFHSA-N 0 1 399.494 5.052 50 0 GKAAMN CCCOCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023432900 570323687 /nfs/dbraw/zinc/32/36/87/570323687.db2.gz ICLRPDXTDGVKCF-UHFFFAOYSA-N 0 1 399.494 5.053 50 0 GKAAMN CC(C)(C)c1ccc(-c2n[nH]c(SCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000003119840 570328999 /nfs/dbraw/zinc/32/89/99/570328999.db2.gz VTLGDZLVICHRIE-UHFFFAOYSA-N 0 1 392.355 6.368 50 0 GKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000034795059 570336960 /nfs/dbraw/zinc/33/69/60/570336960.db2.gz AJGBDMGJBKCQJO-UHFFFAOYSA-N 0 1 389.352 5.364 50 0 GKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccccc2F)cc1 ZINC000034795818 570337502 /nfs/dbraw/zinc/33/75/02/570337502.db2.gz HLFJPTRZCXXGIL-UHFFFAOYSA-N 0 1 377.463 5.643 50 0 GKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000034795809 570337524 /nfs/dbraw/zinc/33/75/24/570337524.db2.gz DBYGCANPYWYERS-UHFFFAOYSA-N 0 1 393.918 6.157 50 0 GKAAMN CCc1n[nH]c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034796239 570337924 /nfs/dbraw/zinc/33/79/24/570337924.db2.gz RVMUYPWJVNDDGJ-UHFFFAOYSA-N 0 1 395.331 5.188 50 0 GKAAMN Cc1ccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000032948516 570341174 /nfs/dbraw/zinc/34/11/74/570341174.db2.gz VHBYDISZLXKUHC-UHFFFAOYSA-N 0 1 397.550 5.106 50 0 GKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000006256301 570350818 /nfs/dbraw/zinc/35/08/18/570350818.db2.gz OMGMONUGJNNFKV-MRXNPFEDSA-N 0 1 396.343 5.250 50 0 GKAAMN Fc1ccc(Cn2cccc2CN(Cc2ccccc2F)C2CCCCC2)cc1 ZINC000004906757 570362895 /nfs/dbraw/zinc/36/28/95/570362895.db2.gz DBKJOZCNPNUORL-UHFFFAOYSA-N 0 1 394.509 6.150 50 0 GKAAMN CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1 ZINC000004413522 570374255 /nfs/dbraw/zinc/37/42/55/570374255.db2.gz AODJLRBXUJRQBO-UHFFFAOYSA-N 0 1 382.891 5.003 50 0 GKAAMN Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)c1 ZINC000035504190 570378621 /nfs/dbraw/zinc/37/86/21/570378621.db2.gz FMAKHPXVNSGATK-UHFFFAOYSA-N 0 1 395.260 5.173 50 0 GKAAMN CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000004661539 570390483 /nfs/dbraw/zinc/39/04/83/570390483.db2.gz QYGPILBDWYCUGF-UHFFFAOYSA-N 0 1 382.891 5.003 50 0 GKAAMN C/C(C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccco1 ZINC000012362167 570391370 /nfs/dbraw/zinc/39/13/70/570391370.db2.gz WHFAMSISRMUWAS-LZJPHLTDSA-N 0 1 383.495 5.056 50 0 GKAAMN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000004725523 570398327 /nfs/dbraw/zinc/39/83/27/570398327.db2.gz UKQDUMCRTGDGFT-UHFFFAOYSA-N 0 1 398.978 5.381 50 0 GKAAMN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000004755676 570403268 /nfs/dbraw/zinc/40/32/68/570403268.db2.gz NRJMINXWYAJLMA-UHFFFAOYSA-N 0 1 396.244 5.146 50 0 GKAAMN Cc1c(C2=NN=C(c3ccc(Cl)cc3)[C@H]2C)n[nH]c1-c1ccc(Cl)cc1 ZINC000025585868 570416347 /nfs/dbraw/zinc/41/63/47/570416347.db2.gz WNFRVPGJIFLLMJ-VXGBXAGGSA-N 0 1 383.282 5.283 50 0 GKAAMN CCc1cc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC(C)C ZINC000005318772 570433925 /nfs/dbraw/zinc/43/39/25/570433925.db2.gz CQTQEDUIWMFZRJ-UHFFFAOYSA-N 0 1 390.405 5.818 50 0 GKAAMN Brc1ccccc1-c1n[nH]c(SCc2cccc3cccnc32)n1 ZINC000054154862 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